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 4 assignments used, quality = 1.00: * HA2 GLY 2 + H HIS 3 OK 100 100 100 100 2.1-3.5 3.6=100 HA3 GLY 2 + H HIS 3 OK 100 100 100 100 2.2-3.6 3.6=100 HB3 SER 50 - H HIS 3 far 0 100 0 - 5.9-69.9 HA2 GLY 114 - H HIS 3 far 0 97 0 - 6.7-68.1 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 4 assignments used, quality = 1.00: HA2 GLY 2 + H HIS 3 OK 100 100 100 100 2.1-3.5 3.6=100 * HA3 GLY 2 + H HIS 3 OK 100 100 100 100 2.2-3.6 3.6=100 HB3 SER 50 - H HIS 3 far 0 100 0 - 5.9-69.9 HA2 GLY 114 - H HIS 3 far 0 97 0 - 6.7-68.1 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 2 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 - 8.5-12.8 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 2.5-4.0 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 2.5-3.9 4.0=100 HB2 HIS 6 - H HIS 3 far 0 100 0 - 7.2-13.4 HB3 HIS 6 - H HIS 3 far 0 97 0 - 7.9-13.8 HB3 HIS 7 - H HIS 3 far 0 100 0 - 9.4-17.7 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 2 assignments used, quality = 1.00: * H HIS 3 + H HIS 4 OK 100 100 100 100 1.9-4.6 4.7=100 H LYS 19 - H HIS 4 far 0 57 0 - 8.2-46.6 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 2 assignments used, quality = 1.00: * HA HIS 3 + H HIS 4 OK 100 100 100 100 2.2-3.6 3.6=100 HA HIS 6 - H HIS 4 far 0 60 0 - 7.2-9.0 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 3 assignments used, quality = 1.00: * HA HIS 4 + H HIS 4 OK 100 100 100 100 2.8-2.9 2.9=100 HA HIS 6 - H HIS 4 far 0 100 0 - 7.2-9.0 HA HIS 7 - H HIS 4 far 0 99 0 - 8.9-12.5 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 7 assignments used, quality = 1.00: * HA HIS 5 + H HIS 5 OK 100 100 100 100 2.8-2.9 2.9=100 HA ASN 120 - H HIS 5 far 5 93 5 - 6.3-59.9 HA CYS 73 - H ALA 46 far 0 58 0 - 8.3-8.8 HA SER 107 - H HIS 5 far 0 76 0 - 9.0-58.8 HA THR 115 - H HIS 5 far 0 97 0 - 9.1-64.7 HA SER 9 - H HIS 5 far 0 89 0 - 9.8-15.7 HA THR 54 - H HIS 5 far 0 95 0 - 9.8-67.0 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 2.1-2.7 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 - 5.3-10.0 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 6 assignments used, quality = 1.00: * HB2 HIS 6 + H HIS 7 OK 100 100 100 100 2.2-4.6 4.4=100 HB3 HIS 7 + H HIS 7 OK 100 100 100 100 2.5-3.8 3.9=100 HB3 HIS 6 + H HIS 7 OK 98 98 100 100 1.9-4.3 4.4=100 HB2 HIS 8 - H HIS 7 poor 7 81 45 21 3.8-7.0 ~11936=14, 77/2.9=4, 76=3 HB2 HIS 10 - H HIS 7 far 0 87 0 - 8.7-13.2 HB3 HIS 3 - H HIS 7 far 0 100 0 - 9.4-14.3 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 5 assignments used, quality = 1.00: * HB3 HIS 6 + H HIS 7 OK 100 100 100 100 1.9-4.3 4.4=100 HB2 HIS 6 + H HIS 7 OK 98 98 100 100 2.2-4.6 4.4=100 HB3 HIS 7 + H HIS 7 OK 97 97 100 100 2.5-3.8 3.9=100 HB2 HIS 10 - H HIS 7 far 0 98 0 - 8.7-13.2 HB3 HIS 3 - H HIS 7 far 0 97 0 - 9.4-14.3 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 98 2.1-2.7 3.6=97, 69/4.4=14...(6) HA HIS 4 - H HIS 7 far 0 99 0 - 5.3-10.0 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 2.2-4.1 3.9=100 HB2 HIS 8 + H HIS 7 OK 21 78 90 30 3.8-7.0 ~11936=18, 77/2.9=12 HB2 HIS 4 - H HIS 7 far 10 99 10 - 6.0-10.6 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 6 assignments used, quality = 1.00: * HB3 HIS 7 + H HIS 7 OK 100 100 100 100 2.5-3.8 3.9=100 HB2 HIS 6 + H HIS 7 OK 100 100 100 100 2.2-4.6 4.4=100 HB3 HIS 6 + H HIS 7 OK 97 97 100 100 1.9-4.3 4.4=100 HB2 HIS 8 - H HIS 7 poor 8 85 45 21 3.8-7.0 ~11936=14, 77/2.9=5, 76=3 HB2 HIS 10 - H HIS 7 far 0 83 0 - 8.7-13.2 HB3 HIS 3 - H HIS 7 far 0 100 0 - 9.4-14.3 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 2.2-3.3 3.6=80, 69/4.6=12, ~87=4...(5) HA HIS 6 - H HIS 8 far 5 99 5 - 3.8-6.6 HA HIS 4 - H HIS 8 far 0 99 0 - 7.8-13.3 Violated in 1 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 2.0-4.6 4.6=100 HB2 HIS 8 + H HIS 8 OK 78 78 100 100 2.2-4.0 4.0=100 HB2 HIS 4 - H HIS 8 far 0 99 0 - 6.7-14.1 HB3 CYS 45 - H HIS 67 far 0 57 0 - 7.1-8.1 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 6 assignments used, quality = 1.00: * HB3 HIS 7 + H HIS 8 OK 100 100 100 100 2.2-4.6 4.6=100 HB2 HIS 8 + H HIS 8 OK 85 85 100 100 2.2-4.0 4.0=100 HB3 HIS 6 - H HIS 8 poor 19 97 20 - 2.6-7.9 HB2 HIS 6 - H HIS 8 far 15 100 15 - 3.4-8.3 HB2 HIS 10 - H HIS 8 far 0 83 0 - 6.3-11.1 HB3 CYS 45 - H HIS 67 far 0 52 0 - 7.1-8.1 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): 3 out of 6 assignments used, quality = 1.00: * HB2 HIS 8 + H HIS 8 OK 100 100 100 100 2.2-4.0 4.0=100 HB3 HIS 7 + H HIS 8 OK 85 85 100 100 2.2-4.6 4.6=100 HB2 HIS 7 + H HIS 8 OK 78 78 100 100 2.0-4.6 4.6=100 HB2 HIS 6 - H HIS 8 lone 5 81 60 9 3.4-8.3 1.8/80=5, 80=1, 87/2.9=1 HB2 HIS 4 - H HIS 8 far 3 63 5 - 6.7-14.1 HB3 CYS 45 - H HIS 67 far 0 75 0 - 7.1-8.1 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 4 assignments used, quality = 0.82: * HA HIS 8 + H SER 9 OK 82 100 100 82 2.1-3.0 85=66, 2.9/6047=26...(5) HA HIS 10 - H SER 9 far 0 99 0 - 4.6-5.5 HA HIS 8 - H VAL 132 far 0 73 0 - 7.1-54.6 HA HIS 10 - H VAL 132 far 0 70 0 - 9.9-47.2 Violated in 1 structures by 0.01 A. Peak 6046 from nnoeabs.peaks (3.13, 8.49, 118.11 ppm; 4.21 A): 1 out of 10 assignments used, quality = 0.99: * HB2 HIS 8 + H SER 9 OK 99 100 100 99 2.1-4.5 2.9/6045=87, 1.8/6047=81, 4.6=74 HB3 HIS 7 - H SER 9 far 0 85 0 - 5.5-8.0 HB2 HIS 7 - H SER 9 far 0 78 0 - 5.8-7.9 HB2 HIS 8 - H VAL 132 far 0 73 0 - 5.9-53.7 HB2 HIS 6 - H SER 9 far 0 81 0 - 6.4-11.0 HB2 HIS 6 - H VAL 132 far 0 52 0 - 8.2-60.4 HB2 HIS 7 - H VAL 132 far 0 50 0 - 9.0-57.2 HB3 HIS 7 - H VAL 132 far 0 55 0 - 9.1-57.7 HB2 HIS 4 - H SER 9 far 0 63 0 - 9.2-17.5 HB3 TYR 76 - H VAL 132 far 0 72 0 - 9.9-11.7 Violated in 2 structures by 0.02 A. Peak 6047 from nnoeabs.peaks (3.21, 8.49, 118.11 ppm; 4.04 A): 1 out of 11 assignments used, quality = 0.98: * HB3 HIS 8 + H SER 9 OK 98 100 100 98 2.0-4.5 2.9/6045=83, 1.8/6046=71, 4.6=66 HD3 ARG 135 - H VAL 132 poor 9 46 20 - 3.8-6.6 HB3 HIS 8 - H VAL 132 far 0 73 0 - 6.0-52.6 HD3 ARG 135 - H SER 9 far 0 73 0 - 6.8-56.3 HD3 ARG 84 - H VAL 132 far 0 65 0 - 8.2-14.3 HD2 ARG 84 - H VAL 132 far 0 65 0 - 8.3-13.4 HB3 HIS 4 - H SER 9 far 0 78 0 - 9.1-17.4 HB2 HIS 5 - H VAL 132 far 0 50 0 - 9.2-62.6 HD3 ARG 84 - H SER 9 far 0 95 0 - 9.2-60.2 HB3 CYS 125 - H VAL 132 far 0 72 0 - 9.5-11.1 HD2 ARG 84 - H SER 9 far 0 95 0 - 9.7-58.5 Violated in 1 structures by 0.02 A. Peak 6048 from nnoeabs.peaks (4.39, 8.49, 118.11 ppm; 3.44 A): 1 out of 6 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 - 5.5-8.6 HA SER 9 - H VAL 132 far 0 73 0 - 6.9-51.1 HA HIS 5 - H VAL 132 far 0 59 0 - 8.0-64.1 HA HIS 5 - H SER 9 far 0 89 0 - 8.3-13.6 HA CYS 73 - H VAL 132 far 0 69 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 6049 from nnoeabs.peaks (3.80, 8.49, 118.11 ppm; 3.54 A): 2 out of 10 assignments used, quality = 0.96: * HB2 SER 9 + H SER 9 OK 80 100 100 80 2.1-3.8 4.0=70, 4.5/6051=28 HB3 SER 9 + H SER 9 OK 80 100 100 80 3.0-4.0 4.0=70, 4.5/6051=28 HA SER 130 - H VAL 132 far 0 50 0 - 4.5-5.0 HB3 SER 130 - H VAL 132 far 0 35 0 - 5.2-5.7 HB2 SER 130 - H VAL 132 far 0 57 0 - 5.5-6.5 HA LEU 43 - H VAL 132 far 0 48 0 - 7.9-8.5 HA ARG 90 - H SER 9 far 0 97 0 - 8.4-45.6 HA ARG 90 - H VAL 132 far 0 68 0 - 9.3-10.1 HB3 SER 9 - H VAL 132 far 0 73 0 - 9.4-50.1 HB2 SER 9 - H VAL 132 far 0 73 0 - 9.6-51.2 Violated in 0 structures by 0.00 A. Peak 6050 from nnoeabs.peaks (3.80, 8.49, 118.11 ppm; 3.54 A): 2 out of 9 assignments used, quality = 0.96: HB2 SER 9 + H SER 9 OK 80 100 100 80 2.1-3.8 4.0=70, 4.5/6051=28 * HB3 SER 9 + H SER 9 OK 80 100 100 80 3.0-4.0 4.0=70, 4.5/6051=28 HA SER 130 - H VAL 132 far 0 48 0 - 4.5-5.0 HB2 SER 130 - H VAL 132 far 0 59 0 - 5.5-6.5 HA LEU 43 - H VAL 132 far 0 46 0 - 7.9-8.5 HA ARG 90 - H SER 9 far 0 97 0 - 8.4-45.6 HA ARG 90 - H VAL 132 far 0 67 0 - 9.3-10.1 HB3 SER 9 - H VAL 132 far 0 73 0 - 9.4-50.1 HB2 SER 9 - H VAL 132 far 0 73 0 - 9.6-51.2 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 5 assignments used, quality = 1.00: * H HIS 10 + H SER 9 OK 100 100 100 100 3.0-4.5 4.7=93, 6054/3.0=92...(4) H HIS 7 - H SER 9 far 4 89 5 - 4.5-8.1 H PHE 89 - H VAL 132 far 0 44 0 - 6.3-7.2 H HIS 10 - H VAL 132 far 0 73 0 - 8.3-48.7 H HIS 7 - H VAL 132 far 0 59 0 - 9.7-58.9 Violated in 4 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 2 assignments used, quality = 1.00: * H SER 9 + H HIS 10 OK 100 100 100 100 3.0-4.5 4.7=100 H VAL 132 - H HIS 10 far 0 90 0 - 8.3-48.7 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 2 assignments used, quality = 0.82: * HA SER 9 + H HIS 10 OK 82 100 100 82 2.2-2.8 100=68, 3.0/6051=22...(6) HA MET 11 - H HIS 10 far 0 60 0 - 4.5-5.2 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: HB3 SER 9 + H HIS 10 OK 100 100 100 100 1.9-4.5 4.5=88, 3.0/6054=87...(7) * HB2 SER 9 + H HIS 10 OK 100 100 100 100 2.0-4.2 4.5=88, 3.0/6054=87...(7) HA ARG 90 - H HIS 10 far 0 97 0 - 8.9-42.5 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: * HB3 SER 9 + H HIS 10 OK 100 100 100 100 1.9-4.5 4.5=88, 3.0/6054=87...(7) HB2 SER 9 + H HIS 10 OK 100 100 100 100 2.0-4.2 4.5=88, 3.0/6054=87...(7) HA ARG 90 - H HIS 10 far 0 97 0 - 8.9-42.5 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 2.3-2.9 3.0=100 HA HIS 8 - H HIS 10 far 5 99 5 - 3.3-6.7 Violated in 0 structures by 0.00 A. Peak 6058 from nnoeabs.peaks (3.17, 8.71, 120.74 ppm; 3.60 A increased from 3.39 A): 1 out of 6 assignments used, quality = 0.81: * HB2 HIS 10 + H HIS 10 OK 81 100 100 81 2.2-3.5 4.0=72, 6064/6060=31 HB3 HIS 7 - H HIS 10 far 0 83 0 - 7.4-10.9 HB2 HIS 6 - H HIS 10 far 0 87 0 - 7.7-14.6 HB3 HIS 6 - H HIS 10 far 0 98 0 - 7.7-13.3 HD3 ARG 90 - H HIS 10 far 0 100 0 - 9.1-42.1 HD2 ARG 23 - H HIS 10 far 0 99 0 - 9.4-34.5 Violated in 0 structures by 0.00 A. Peak 6059 from nnoeabs.peaks (3.25, 8.71, 120.74 ppm; 4.09 A increased from 3.84 A): 1 out of 5 assignments used, quality = 1.00: * HB3 HIS 10 + H HIS 10 OK 100 100 100 100 2.2-4.0 4.0=100 HB3 PHE 87 - H HIS 10 far 0 81 0 - 8.1-49.9 HD3 ARG 135 - H HIS 10 far 0 81 0 - 9.2-53.0 HB2 PHE 87 - H HIS 10 far 0 71 0 - 9.8-50.6 HB3 HIS 4 - H HIS 10 far 0 76 0 - 9.9-21.3 Violated in 0 structures by 0.00 A. Peak 6060 from nnoeabs.peaks (8.41, 8.71, 120.74 ppm; 4.27 A increased from 4.02 A): 1 out of 3 assignments used, quality = 1.00: * H MET 11 + H HIS 10 OK 100 100 100 100 2.6-4.2 6062=91, 6063/3.0=90...(6) H ASN 13 - H HIS 10 far 0 73 0 - 7.0-10.5 H VAL 93 - H HIS 10 far 0 78 0 - 8.8-42.5 Violated in 0 structures by 0.00 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; 4.41 A increased from 4.15 A): 1 out of 3 assignments used, quality = 1.00: * H HIS 10 + H MET 11 OK 100 100 100 100 2.6-4.2 6060=100, 3.0/6063=92...(6) H HIS 7 - H MET 11 far 0 89 0 - 7.2-14.1 H PHE 89 - H MET 11 far 0 71 0 - 8.4-44.2 Violated in 0 structures by 0.00 A. Peak 6063 from nnoeabs.peaks (4.69, 8.41, 122.27 ppm; 2.63 A): 1 out of 2 assignments used, quality = 0.77: * HA HIS 10 + H MET 11 OK 77 100 100 77 2.1-3.1 115=51, 3.0/6065=24...(5) HA HIS 8 - H MET 11 far 0 99 0 - 4.4-9.8 Violated in 3 structures by 0.07 A. Peak 6064 from nnoeabs.peaks (3.17, 8.41, 122.27 ppm; 4.46 A increased from 3.96 A): 1 out of 10 assignments used, quality = 1.00: * HB2 HIS 10 + H MET 11 OK 100 100 100 100 4.1-4.2 3.0/6063=92, 1.8/6065=88...(4) HD3 ARG 90 - H MET 11 far 0 100 0 - 5.9-38.6 HD2 ARG 90 - H MET 11 far 0 100 0 - 7.0-38.9 HB3 HIS 7 - H MET 11 far 0 83 0 - 7.4-14.5 HB2 HIS 6 - H MET 11 far 0 87 0 - 8.1-17.3 HB3 HIS 6 - H MET 11 far 0 98 0 - 8.4-16.6 HD3 ARG 84 - H MET 11 far 0 76 0 - 8.4-53.9 HD2 ARG 23 - H MET 11 far 0 99 0 - 8.5-32.5 HD2 ARG 84 - H MET 11 far 0 76 0 - 8.9-52.1 HD3 ARG 23 - H MET 11 far 0 99 0 - 9.2-33.6 Violated in 0 structures by 0.00 A. Peak 6065 from nnoeabs.peaks (3.25, 8.41, 122.27 ppm; 3.99 A increased from 3.76 A): 1 out of 5 assignments used, quality = 0.99: * HB3 HIS 10 + H MET 11 OK 99 100 100 99 3.3-4.0 3.0/6063=83, 125=69...(4) HB3 PHE 87 - H MET 11 far 0 81 0 - 7.9-46.5 HB2 PHE 87 - H MET 11 far 0 71 0 - 9.3-47.2 HD3 ARG 135 - H MET 11 far 0 81 0 - 9.5-49.9 HA VAL 93 - H MET 11 far 0 100 0 - 10.0-39.7 Violated in 1 structures by 0.00 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 2.8-2.9 2.9=100 HA SER 9 - H MET 11 far 0 60 0 - 4.1-6.5 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 5 assignments used, quality = 0.89: * HB2 MET 11 + H MET 11 OK 89 100 100 89 2.1-2.9 4.0=38, 1.8/6068=36...(8) HB3 ARG 90 - H MET 11 far 0 63 0 - 3.9-39.5 HB2 ARG 90 - H MET 11 far 0 97 0 - 4.8-41.2 HB3 ARG 84 - H MET 11 far 0 85 0 - 6.9-52.0 HB2 LYS 95 - H MET 11 far 0 93 0 - 9.8-41.3 Violated in 1 structures by 0.00 A. Peak 6068 from nnoeabs.peaks (2.02, 8.41, 122.27 ppm; 3.60 A increased from 3.39 A): 2 out of 6 assignments used, quality = 1.00: * HB3 MET 11 + H MET 11 OK 100 100 100 100 3.2-3.7 1.8/6067=89, 4.0=71...(7) QE MET 11 + H MET 11 OK 32 87 40 93 2.2-5.6 3.3/6069=48, 4.2/6067=45...(7) HB VAL 20 - H MET 11 far 0 81 0 - 5.0-26.8 HB3 GLU 91 - H MET 11 far 0 97 0 - 5.4-43.2 HB2 GLU 91 - H MET 11 far 0 63 0 - 6.1-43.5 HG2 ARG 90 - H MET 11 far 0 100 0 - 6.5-40.9 Violated in 0 structures by 0.00 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, 130/2.9=61...(8) Violated in 1 structures by 0.00 A. Peak 6070 from nnoeabs.peaks (2.52, 8.41, 122.27 ppm; 4.43 A increased from 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 11 + H MET 11 OK 100 100 100 100 2.6-4.3 1.8/6069=91, 2.9/6067=89...(10) 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; 2.66 A increased from 2.50 A): 1 out of 5 assignments used, quality = 0.95: * HA MET 11 + H ALA 12 OK 95 100 100 95 2.3-2.6 132=86, 3.0/6076=29...(7) HA SER 33 - H ALA 34 far 0 50 0 - 3.4-3.6 HA ASP 71 - H ALA 34 far 0 81 0 - 7.7-9.9 HA SER 9 - H ALA 12 far 0 60 0 - 8.6-9.8 HA ASP 71 - H ALA 12 far 0 99 0 - 9.6-33.3 Violated in 0 structures by 0.00 A. Peak 6075 from nnoeabs.peaks (1.92, 8.44, 125.95 ppm; 3.98 A): 1 out of 7 assignments used, quality = 1.00: * HB2 MET 11 + H ALA 12 OK 100 100 100 100 3.2-3.8 1.8/6076=86, 3.0/6074=82...(8) HB3 ARG 84 - H ALA 12 far 4 85 5 - 3.7-48.9 HB2 ARG 90 - H ALA 12 far 0 97 0 - 6.2-38.0 HB3 ARG 90 - H ALA 12 far 0 63 0 - 7.1-36.2 HB2 LYS 95 - H ALA 12 far 0 93 0 - 8.9-41.1 HB3 LYS 95 - H ALA 12 far 0 89 0 - 9.3-41.9 HB2 ARG 135 - H ALA 12 far 0 81 0 - 9.5-49.3 Violated in 0 structures by 0.00 A. Peak 6076 from nnoeabs.peaks (2.02, 8.44, 125.95 ppm; 3.55 A): 1 out of 7 assignments used, quality = 0.99: * HB3 MET 11 + H ALA 12 OK 99 100 100 99 2.2-2.6 3.0/6074=70, 1.8/6075=61...(9) QE MET 11 - H ALA 12 far 13 87 15 - 3.9-5.8 HB3 GLU 91 - H ALA 12 far 0 97 0 - 4.4-40.8 HB2 GLU 91 - H ALA 12 far 0 63 0 - 4.7-40.4 HB VAL 20 - H ALA 12 far 0 81 0 - 7.2-23.2 HG2 ARG 90 - H ALA 12 far 0 100 0 - 8.5-37.9 HG3 ARG 135 - H ALA 12 far 0 97 0 - 10.0-46.7 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 2 assignments used, quality = 1.00: * HG3 MET 11 + H ALA 12 OK 100 100 100 100 2.6-4.9 2.9/6076=100...(6) HB2 ASP 78 - H ALA 34 poor 19 77 25 - 6.0-9.1 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 16 assignments used, quality = 1.00: * HA ALA 12 + H ALA 12 OK 100 100 100 100 2.3-2.9 3.0=100 HA PHE 87 - H ALA 12 far 0 83 0 - 5.4-41.4 HA TYR 76 - H ALA 34 far 0 48 0 - 6.6-8.1 HA LYS 36 - H ALA 34 far 0 78 0 - 6.7-6.8 HA LYS 26 - H ALA 34 far 0 70 0 - 6.9-11.3 HA ALA 16 - H ALA 12 far 0 98 0 - 7.0-15.8 HA THR 25 - H ALA 34 far 0 81 0 - 7.1-12.4 HA THR 18 - H ALA 12 far 0 99 0 - 7.1-20.8 HA ALA 15 - H ALA 12 far 0 100 0 - 7.1-12.3 HA ARG 23 - H ALA 34 far 0 83 0 - 7.4-16.1 HA LYS 31 - H ALA 34 far 0 80 0 - 7.8-8.3 HA LYS 19 - H ALA 12 far 0 87 0 - 8.7-24.7 HA ALA 15 - H ALA 34 far 0 83 0 - 9.1-31.3 HA SER 74 - H ALA 34 far 0 81 0 - 9.3-11.2 HA SER 74 - H ALA 12 far 0 99 0 - 9.4-33.6 HA LYS 31 - H ALA 12 far 0 99 0 - 9.9-38.5 Violated in 0 structures by 0.00 A. Peak 6080 from nnoeabs.peaks (1.36, 8.44, 125.95 ppm; 3.02 A increased from 2.84 A): 1 out of 12 assignments used, quality = 1.00: * QB ALA 12 + H ALA 12 OK 100 100 100 100 2.2-2.9 2.9=100 QB ALA 15 - H ALA 12 far 0 76 0 - 4.2-10.4 HG3 LYS 26 - H ALA 34 far 0 58 0 - 5.9-9.9 HG2 LYS 36 - H ALA 34 far 0 60 0 - 6.2-6.7 QB ALA 29 - H ALA 34 far 0 60 0 - 6.3-7.8 HG2 LYS 19 - H ALA 12 far 0 100 0 - 7.4-22.8 HG3 LYS 95 - H ALA 12 far 0 68 0 - 7.6-40.8 HG2 LYS 95 - H ALA 12 far 0 63 0 - 7.6-42.5 QB ALA 12 - H ALA 34 far 0 83 0 - 7.7-31.8 QB ALA 21 - H ALA 12 far 0 87 0 - 8.1-19.2 QB ALA 15 - H ALA 34 far 0 56 0 - 8.6-24.6 QB ALA 28 - H ALA 34 far 0 54 0 - 8.9-10.8 Violated in 0 structures by 0.00 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 5 assignments used, quality = 0.66: * HA ALA 12 + H ASN 13 OK 66 100 100 66 2.1-3.0 2.1/6085=42, 3.6=41 HA ALA 15 - H ASN 13 far 0 100 0 - 5.4-9.2 HA PHE 87 - H ASN 13 far 0 83 0 - 6.0-39.0 HA ALA 16 - H ASN 13 far 0 98 0 - 8.7-12.8 HA LYS 19 - H ASN 13 far 0 87 0 - 8.8-20.7 Violated in 1 structures by 0.02 A. Peak 6085 from nnoeabs.peaks (1.36, 8.44, 118.33 ppm; 3.26 A): 1 out of 6 assignments used, quality = 0.97: * QB ALA 12 + H ASN 13 OK 97 100 100 97 2.8-3.6 2.1/6084=79, 3.7=70...(7) QB ALA 15 - H ASN 13 far 4 76 5 - 3.8-8.3 HG2 LYS 19 - H ASN 13 far 0 100 0 - 6.1-19.4 HG2 LYS 95 - H ASN 13 far 0 63 0 - 7.9-42.7 HG3 LYS 95 - H ASN 13 far 0 68 0 - 8.3-41.0 QB ALA 21 - H ASN 13 far 0 87 0 - 8.6-17.2 Violated in 3 structures by 0.02 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 2.8-2.9 3.0=100 HA HIS 7 - H ASN 13 far 0 97 0 - 9.2-20.2 Violated in 0 structures by 0.00 A. Peak 6087 from nnoeabs.peaks (2.81, 8.44, 118.33 ppm; 3.81 A increased from 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 13 + H ASN 13 OK 100 100 100 100 3.5-3.8 176=100, 1.8/6088=86...(4) HB3 ASP 71 - H ASN 13 far 0 100 0 - 9.3-35.0 Violated in 1 structures by 0.00 A. Peak 6088 from nnoeabs.peaks (2.77, 8.44, 118.33 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.90: * HB3 ASN 13 + H ASN 13 OK 90 100 100 90 2.2-2.9 1.8/176=60, 183=58...(4) Violated in 0 structures by 0.00 A. Peak 6090 from nnoeabs.peaks (6.90, 8.44, 118.33 ppm; 6.23 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 13 + H ASN 13 OK 100 100 100 100 1.9-5.6 5.6=100 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 2 assignments used, quality = 1.00: * H GLY 14 + H ASN 13 OK 100 100 100 100 2.7-4.6 4.7=100 H LYS 19 - H ASN 13 far 0 89 0 - 8.1-18.5 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; 4.18 A increased from 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 13 + HD21 ASN 13 OK 100 100 100 100 2.7-4.1 3.5=100 HB3 ASP 71 - HD21 ASN 13 far 0 100 0 - 6.5-35.2 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 2 assignments used, quality = 1.00: * HB3 ASN 13 + HD21 ASN 13 OK 100 100 100 100 2.3-3.7 3.5=100 HB2 ASP 64 - HD21 ASN 13 far 0 83 0 - 9.8-41.0 Violated in 1 structures by 0.00 A. Peak 6097 from nnoeabs.peaks (6.90, 7.60, 112.82 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 13 + HD21 ASN 13 OK 100 100 100 100 1.7-1.7 1.7=100 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 3 assignments used, quality = 1.00: * HB2 ASN 13 + HD22 ASN 13 OK 100 100 100 100 3.3-4.1 3.5=100 HB3 ASP 47 - HE21 GLN 134 far 0 38 0 - 7.1-9.2 HB3 ASP 71 - HD22 ASN 13 far 0 100 0 - 7.7-35.0 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 2 assignments used, quality = 1.00: * HB3 ASN 13 + HD22 ASN 13 OK 100 100 100 100 2.1-4.1 3.5=100 HB2 ASP 131 - HE21 GLN 134 far 0 69 0 - 6.4-8.7 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 2 assignments used, quality = 1.00: * HD21 ASN 13 + HD22 ASN 13 OK 100 100 100 100 1.7-1.7 1.7=100 H ASP 78 - HD22 ASN 13 far 0 93 0 - 9.8-32.6 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 1 assignment used, quality = 0.79: * HA ASN 13 + H GLY 14 OK 79 100 100 79 2.1-3.0 175=63, 3.0/6107=25, 3.0/6108=25 Violated in 2 structures by 0.01 A. Peak 6107 from nnoeabs.peaks (2.81, 8.37, 109.62 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 13 + H GLY 14 OK 100 100 100 100 2.0-4.5 4.5=95, 3.0/6106=87...(5) HB3 ASP 71 - H GLY 14 far 0 100 0 - 6.7-35.5 HB3 ASN 85 - H GLY 14 far 0 99 0 - 9.1-44.7 Violated in 2 structures by 0.01 A. Peak 6108 from nnoeabs.peaks (2.77, 8.37, 109.62 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 13 + H GLY 14 OK 100 100 100 100 2.7-4.5 4.5=96, 3.0/6106=88...(5) HB2 CYS 73 - H GLY 14 far 0 76 0 - 9.2-38.5 Violated in 4 structures by 0.01 A. Peak 6111 from nnoeabs.peaks (3.92, 8.37, 109.62 ppm; 3.04 A): 2 out of 5 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 2.4-3.0 3.0=100 HB2 SER 94 - H GLY 14 far 0 90 0 - 5.5-39.2 HA3 GLY 75 - H GLY 14 far 0 92 0 - 9.1-33.3 HB2 SER 33 - H GLY 14 far 0 99 0 - 9.9-33.1 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 5 assignments used, quality = 1.00: * HA3 GLY 14 + H GLY 14 OK 100 100 100 100 2.4-3.0 3.0=100 HA2 GLY 14 + H GLY 14 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 94 - H GLY 14 far 0 89 0 - 5.5-39.2 HA3 GLY 75 - H GLY 14 far 0 90 0 - 9.1-33.3 HB2 SER 33 - H GLY 14 far 0 99 0 - 9.9-33.1 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 4 assignments used, quality = 1.00: * H ALA 15 + H GLY 14 OK 100 100 100 100 2.1-4.2 6115=96, 2.9/10659=53...(9) H ASP 71 - H GLY 14 far 0 100 0 - 6.1-36.3 H GLU 91 - H GLY 14 far 0 89 0 - 6.7-42.4 H PHE 87 - H GLY 14 far 0 68 0 - 9.1-43.0 Violated in 4 structures by 0.00 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 3 assignments used, quality = 1.00: * H GLY 14 + H ALA 15 OK 100 100 100 100 2.1-4.2 6113=100, 10659/2.9=55...(9) H LYS 19 - H ALA 15 far 0 89 0 - 8.3-12.5 H LYS 86 - H ALA 15 far 0 68 0 - 10.0-41.5 Violated in 0 structures by 0.00 A. Peak 6116 from nnoeabs.peaks (3.92, 8.14, 123.81 ppm; 3.23 A): 2 out of 4 assignments used, quality = 0.99: HA3 GLY 14 + H ALA 15 OK 92 100 100 92 3.0-3.6 3.6=74, 3.0/6113=36...(10) * HA2 GLY 14 + H ALA 15 OK 92 100 100 92 2.1-3.4 3.6=74, 3.0/6113=36...(9) HB2 SER 94 - H ALA 15 far 0 90 0 - 6.8-38.7 HA3 GLY 75 - H ALA 15 far 0 92 0 - 8.3-31.9 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 4 assignments used, quality = 0.99: * HA3 GLY 14 + H ALA 15 OK 92 100 100 92 3.0-3.6 3.6=74, 3.0/6113=36...(10) HA2 GLY 14 + H ALA 15 OK 92 100 100 92 2.1-3.4 3.6=74, 3.0/6113=36...(9) HB2 SER 94 - H ALA 15 far 0 89 0 - 6.8-38.7 HA3 GLY 75 - H ALA 15 far 0 90 0 - 8.3-31.9 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 7 assignments used, quality = 1.00: * HA ALA 15 + H ALA 15 OK 100 100 100 100 2.8-2.9 3.0=100 HA ALA 12 - H ALA 15 far 0 100 0 - 4.5-9.5 HA ALA 16 - H ALA 15 far 0 98 0 - 4.6-6.3 HA PHE 87 - H ALA 15 far 0 83 0 - 6.0-40.4 HA THR 18 - H ALA 15 far 0 99 0 - 6.6-11.9 HA SER 74 - H ALA 15 far 0 99 0 - 7.9-34.2 HA ALA 21 - H ALA 15 far 0 100 0 - 8.6-16.1 Violated in 0 structures by 0.00 A. Peak 6119 from nnoeabs.peaks (1.38, 8.14, 123.81 ppm; 2.95 A): 1 out of 8 assignments used, quality = 1.00: * QB ALA 15 + H ALA 15 OK 100 100 100 100 2.0-2.9 2.9=100 QB ALA 16 - H ALA 15 far 4 78 5 - 3.5-5.9 QB ALA 12 - H ALA 15 far 4 76 5 - 2.8-8.7 HG2 LYS 19 - H ALA 15 far 0 87 0 - 7.6-12.5 HG2 LYS 95 - H ALA 15 far 0 100 0 - 9.0-46.1 HG LEU 96 - H ALA 15 far 0 92 0 - 9.4-41.0 HB3 LEU 100 - H ALA 15 far 0 100 0 - 9.6-40.4 HG3 LYS 95 - H ALA 15 far 0 100 0 - 10.0-44.6 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; 4.75 A increased from 4.47 A): 1 out of 7 assignments used, quality = 1.00: * H ALA 15 + H ALA 16 OK 100 100 100 100 2.3-4.5 4.6=100 H ASP 71 - H TYR 76 far 0 47 0 - 7.3-7.6 H ASP 71 - H ALA 16 far 0 100 0 - 8.1-38.5 H LEU 22 - H ALA 16 far 0 99 0 - 9.0-13.2 H GLU 91 - H ALA 16 far 0 89 0 - 9.1-44.6 H PHE 87 - H ALA 16 far 0 68 0 - 9.2-44.4 H ALA 15 - H TYR 76 far 0 48 0 - 9.7-34.8 Violated in 0 structures by 0.00 A. Peak 6123 from nnoeabs.peaks (4.28, 8.03, 122.31 ppm; 2.92 A): 3 out of 13 assignments used, quality = 0.99: HA ALA 16 + H ALA 16 OK 97 98 100 99 2.3-2.9 3.0=97, 2.1/6124=35...(4) * HA ALA 15 + H ALA 16 OK 66 100 100 66 2.1-2.9 3.6=55, 2.1/6124=25 HA TYR 76 + H TYR 76 OK 25 25 100 99 2.9-2.9 3.0=97, 10880/9103=14...(10) HA SER 74 - H TYR 76 far 0 46 0 - 4.3-4.5 HA THR 18 - H ALA 16 far 0 99 0 - 5.9-8.3 HA SER 74 - H ALA 16 far 0 99 0 - 6.2-37.3 HA PHE 87 - H ALA 16 far 0 83 0 - 7.2-43.5 HA ALA 15 - H TYR 76 far 0 48 0 - 7.6-37.5 HA LYS 19 - H ALA 16 far 0 87 0 - 7.7-11.2 HA ALA 12 - H ALA 16 far 0 100 0 - 7.7-13.3 HA ALA 21 - H ALA 16 far 0 100 0 - 8.3-12.0 HA ALA 16 - H TYR 76 far 0 45 0 - 9.3-37.2 HA ALA 21 - H TYR 76 far 0 47 0 - 9.4-27.9 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 10 assignments used, quality = 0.90: QB ALA 16 + H ALA 16 OK 78 78 100 99 2.2-2.9 2.9=99 * QB ALA 15 + H ALA 16 OK 56 100 90 62 1.9-3.6 3.7=49, 2.1/6125=24, 6131/6127=2 HG2 LYS 19 - H ALA 16 far 0 87 0 - 4.3-9.0 QB ALA 12 - H ALA 16 far 0 76 0 - 4.5-11.5 QB ALA 15 - H TYR 76 far 0 48 0 - 6.0-29.9 HB2 LEU 42 - H TYR 76 far 0 47 0 - 6.4-7.2 HG2 LYS 36 - H TYR 76 far 0 48 0 - 8.6-9.7 QB ALA 16 - H TYR 76 far 0 31 0 - 9.5-32.4 HG3 LYS 31 - H ALA 16 far 0 99 0 - 9.6-28.2 QB ALA 12 - H TYR 76 far 0 30 0 - 9.8-30.4 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 13 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=35...(4) HA ALA 15 + H ALA 16 OK 65 98 100 66 2.1-2.9 3.6=55, 2.1/6124=25 HA SER 74 - H TYR 76 far 0 39 0 - 4.3-4.5 HA THR 18 - H ALA 16 far 0 90 0 - 5.9-8.3 HA SER 74 - H ALA 16 far 0 92 0 - 6.2-37.3 HA PHE 87 - H ALA 16 far 0 97 0 - 7.2-43.5 HA ALA 15 - H TYR 76 far 0 45 0 - 7.6-37.5 HA LYS 19 - H ALA 16 far 0 98 0 - 7.7-11.2 HA ALA 12 - H ALA 16 far 0 98 0 - 7.7-13.3 HA ALA 21 - H ALA 16 far 0 93 0 - 8.3-12.0 HA ALA 16 - H TYR 76 far 0 48 0 - 9.3-37.2 HA ALA 21 - H TYR 76 far 0 40 0 - 9.4-27.9 HA ARG 84 - H ALA 16 far 0 63 0 - 9.8-47.1 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 11 assignments used, quality = 1.00: * QB ALA 16 + H ALA 16 OK 100 100 100 100 2.2-2.9 2.9=100 QB ALA 15 + H ALA 16 OK 49 78 95 66 1.9-3.6 3.7=53, 2.1/6125=25, 6131/6127=4 QB ALA 34 - H TYR 76 far 0 40 0 - 4.6-6.4 QB ALA 15 - H TYR 76 far 0 31 0 - 6.0-29.9 HB2 LEU 42 - H TYR 76 far 0 26 0 - 6.4-7.2 HG2 LYS 86 - H TYR 76 far 0 38 0 - 7.5-8.3 QB ALA 34 - H ALA 16 far 0 93 0 - 7.6-26.5 HG2 LYS 36 - H TYR 76 far 0 29 0 - 8.6-9.7 HG2 LYS 86 - H ALA 16 far 0 90 0 - 9.1-40.6 QB ALA 16 - H TYR 76 far 0 48 0 - 9.5-32.4 HG3 LYS 31 - H ALA 16 far 0 93 0 - 9.6-28.2 Violated in 0 structures by 0.00 A. Peak 6127 from nnoeabs.peaks (8.32, 8.03, 122.31 ppm; 3.91 A increased from 3.68 A): 1 out of 8 assignments used, quality = 0.90: * H GLY 17 + H ALA 16 OK 90 100 100 90 2.0-3.8 4.6=60, 6130/3.0=54...(5) H LYS 19 - H ALA 16 far 0 60 0 - 5.1-8.7 H TYR 72 - H TYR 76 far 0 48 0 - 5.3-5.6 H ALA 21 - H ALA 16 far 0 96 0 - 6.8-10.6 H TYR 72 - H ALA 16 far 0 100 0 - 9.2-38.7 H GLY 17 - H TYR 76 far 0 48 0 - 9.3-34.9 H LYS 86 - H ALA 16 far 0 83 0 - 9.4-44.2 H LEU 69 - H TYR 76 far 0 33 0 - 9.8-10.0 Violated in 0 structures by 0.00 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 15 assignments used, quality = 0.73: * HA ALA 16 + H GLY 17 OK 63 100 95 66 2.1-3.6 3.6=50, 3.0/6127=30, ~10667=3 HA ALA 110 + H GLY 111 OK 28 54 80 66 2.5-3.5 3.6=50, 2.1/3537=7...(10) HA ALA 109 - H GLY 111 far 0 57 0 - 3.5-5.6 HA ALA 15 - H GLY 17 far 0 98 0 - 4.1-6.2 HA THR 18 - H GLY 17 far 0 90 0 - 4.3-5.4 HA LYS 19 - H GLY 17 far 0 98 0 - 5.4-8.4 HA SER 74 - H GLY 17 far 0 92 0 - 5.7-34.7 HA ALA 21 - H GLY 17 far 0 93 0 - 5.7-9.4 HA ALA 108 - H GLY 111 far 0 57 0 - 5.8-7.2 HB THR 115 - H GLY 111 far 0 57 0 - 6.3-8.8 HA PHE 87 - H GLY 17 far 0 97 0 - 7.2-40.8 HA GLN 61 - H GLY 111 far 0 56 0 - 8.3-11.0 HA ALA 12 - H GLY 17 far 0 98 0 - 8.4-16.0 HA LEU 22 - H GLY 17 far 0 99 0 - 8.7-12.6 HA ARG 23 - H GLY 17 far 0 97 0 - 9.1-14.2 Violated in 0 structures by 0.00 A. Peak 6131 from nnoeabs.peaks (1.40, 8.32, 107.83 ppm; 4.00 A): 4 out of 7 assignments used, quality = 1.00: * QB ALA 16 + H GLY 17 OK 100 100 100 100 2.0-3.7 3.7=100 QB ALA 110 + H GLY 111 OK 38 38 100 100 2.8-3.7 3.7=100 QB ALA 109 + H GLY 111 OK 37 46 100 80 2.0-3.3 10677/3.0=34...(10) QB ALA 15 + H GLY 17 OK 31 78 75 53 2.3-5.8 3.7/6127=51, 3537=1 QB ALA 108 - H GLY 111 far 0 41 0 - 6.4-7.2 HG2 LYS 86 - H GLY 17 far 0 90 0 - 7.8-37.9 QB ALA 34 - H GLY 17 far 0 93 0 - 8.1-24.3 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 11 assignments used, quality = 1.00: HA3 GLY 17 + H GLY 17 OK 100 100 100 100 2.3-2.9 3.0=100 * HA2 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 2.8-3.0 3.0=100 HA2 GLY 111 + H GLY 111 OK 26 26 100 100 2.3-2.7 3.0=100 HB3 SER 107 - H GLY 111 far 0 57 0 - 5.8-9.3 HA VAL 20 - H GLY 17 far 0 60 0 - 6.1-9.9 HD3 PRO 113 - H GLY 111 far 0 35 0 - 6.7-7.6 HB3 SER 94 - H GLY 17 far 0 97 0 - 7.9-41.5 HA GLU 91 - H GLY 17 far 0 85 0 - 9.0-42.7 HB3 SER 106 - H GLY 111 far 0 45 0 - 9.0-12.9 HB2 SER 106 - H GLY 111 far 0 56 0 - 9.4-12.0 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 11 assignments used, quality = 1.00: * HA3 GLY 17 + H GLY 17 OK 100 100 100 100 2.3-2.9 3.0=100 HA2 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 2.8-3.0 3.0=100 HA2 GLY 111 + H GLY 111 OK 26 26 100 100 2.3-2.7 3.0=100 HB3 SER 107 - H GLY 111 far 0 57 0 - 5.8-9.3 HA VAL 20 - H GLY 17 far 0 60 0 - 6.1-9.9 HD3 PRO 113 - H GLY 111 far 0 35 0 - 6.7-7.6 HB3 SER 94 - H GLY 17 far 0 97 0 - 7.9-41.5 HA GLU 91 - H GLY 17 far 0 85 0 - 9.0-42.7 HB3 SER 106 - H GLY 111 far 0 45 0 - 9.0-12.9 HB2 SER 106 - H GLY 111 far 0 56 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 6134 from nnoeabs.peaks (7.97, 8.32, 107.83 ppm; 3.75 A increased from 3.53 A): 1 out of 2 assignments used, quality = 0.89: * H THR 18 + H GLY 17 OK 89 100 100 89 2.0-3.6 6136=63, 6138/3.0=51...(4) H SER 94 - H GLY 17 far 0 85 0 - 9.5-40.9 Violated in 0 structures by 0.00 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 3 assignments used, quality = 0.91: * H GLY 17 + H THR 18 OK 82 100 100 82 2.0-3.6 6134=59, 3.0/6138=38...(4) H LYS 19 + H THR 18 OK 49 60 100 81 1.9-3.1 6144=46, 4.6/6140=28...(7) H ALA 21 - H THR 18 far 0 96 0 - 3.8-5.2 Violated in 0 structures by 0.00 A. Peak 6137 from nnoeabs.peaks (3.96, 7.97, 113.82 ppm; 2.92 A): 2 out of 3 assignments used, quality = 0.86: * HA2 GLY 17 + H THR 18 OK 79 100 95 83 2.2-3.6 3.6=55, 3.0/6134=34...(6) HA3 GLY 17 + H THR 18 OK 33 100 40 81 2.6-3.6 3.6=55, 3.0/6134=34...(6) HA VAL 20 - H THR 18 far 0 60 0 - 6.2-7.8 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 3 assignments used, quality = 0.86: HA2 GLY 17 + H THR 18 OK 79 100 95 83 2.2-3.6 3.6=55, 3.0/6134=34...(6) * HA3 GLY 17 + H THR 18 OK 33 100 40 81 2.6-3.6 3.6=55, 3.0/6134=34...(6) HA VAL 20 - H THR 18 far 0 60 0 - 6.2-7.8 Violated in 0 structures by 0.00 A. Peak 6139 from nnoeabs.peaks (4.29, 7.97, 113.82 ppm; 3.10 A increased from 2.92 A): 1 out of 9 assignments used, quality = 1.00: * HA THR 18 + H THR 18 OK 100 100 100 100 2.3-2.9 3.0=100 HA ALA 16 - H THR 18 far 9 90 10 - 3.4-6.3 HA LYS 19 - H THR 18 far 0 71 0 - 4.5-5.4 HA ALA 21 - H THR 18 far 0 100 0 - 4.7-7.4 HA ALA 15 - H THR 18 far 0 99 0 - 6.0-9.3 HA LEU 22 - H THR 18 far 0 73 0 - 7.5-10.2 HA SER 74 - H THR 18 far 0 100 0 - 9.0-34.5 HA ARG 23 - H THR 18 far 0 99 0 - 9.1-11.8 HA ALA 12 - H THR 18 far 0 99 0 - 9.5-18.9 Violated in 0 structures by 0.00 A. Peak 6140 from nnoeabs.peaks (4.19, 7.97, 113.82 ppm; 3.05 A): 1 out of 2 assignments used, quality = 0.95: * HB THR 18 + H THR 18 OK 95 100 100 95 2.1-3.3 227=73, 2.1/6141=50...(7) HB THR 25 - H THR 18 far 0 99 0 - 10.0-18.3 Violated in 3 structures by 0.03 A. Peak 6141 from nnoeabs.peaks (1.17, 7.97, 113.82 ppm; 3.54 A increased from 3.14 A): 1 out of 3 assignments used, quality = 0.99: * QG2 THR 18 + H THR 18 OK 99 100 100 99 2.7-3.9 232=80, 2.1/6140=78...(6) QG2 THR 25 - H THR 18 far 0 90 0 - 7.0-15.6 QG2 VAL 77 - H THR 18 far 0 97 0 - 8.7-30.9 Violated in 3 structures by 0.05 A. Peak 6142 from nnoeabs.peaks (8.35, 7.97, 113.82 ppm; 3.17 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 19 + H THR 18 OK 100 100 100 100 1.9-3.1 6144=100, 6146/6140=42...(7) H GLY 17 + H THR 18 OK 44 60 100 73 2.0-3.6 3.0/6138=39, 4.4=37...(4) H LYS 24 - H THR 18 far 0 83 0 - 8.6-12.7 H HIS 3 - H THR 18 far 0 57 0 - 8.8-48.3 H GLY 14 - H THR 18 far 0 89 0 - 9.1-13.5 Violated in 0 structures by 0.00 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 1 assignment used, quality = 0.94: * H THR 18 + H LYS 19 OK 94 100 100 94 1.9-3.1 6142=66, 6140/6146=40...(7) Violated in 0 structures by 0.00 A. Peak 6145 from nnoeabs.peaks (4.29, 8.35, 123.97 ppm; 2.90 A increased from 2.73 A): 2 out of 16 assignments used, quality = 0.91: HA LYS 19 + H LYS 19 OK 70 71 100 99 2.7-2.8 3.0=95, 3.0/6149=46...(12) * HA THR 18 + H LYS 19 OK 69 100 75 93 3.5-3.6 3.6=54, 3.0/6144=43...(13) HA ALA 16 - H LYS 19 far 0 90 0 - 4.8-7.4 HA PHE 87 - H LYS 86 far 0 40 0 - 5.3-5.5 HA ALA 21 - H LYS 19 far 0 100 0 - 6.1-6.8 HA LEU 22 - H LYS 19 far 0 73 0 - 6.9-9.3 HA ALA 15 - H LYS 19 far 0 99 0 - 7.0-11.1 HA ARG 23 - H LYS 19 far 0 99 0 - 7.4-10.6 HA SER 74 - H LYS 19 far 0 100 0 - 7.6-33.8 HA ALA 15 - H LYS 86 far 0 70 0 - 8.0-44.3 HA LYS 31 - H LYS 19 far 0 92 0 - 8.6-26.7 HA ALA 12 - H LYS 19 far 0 99 0 - 8.9-20.1 HA ALA 21 - H LYS 86 far 0 73 0 - 9.3-34.0 HA2 GLY 75 - H LYS 19 far 0 68 0 - 9.4-30.3 HA THR 25 - H LYS 19 far 0 100 0 - 9.7-16.1 HA THR 18 - H LYS 86 far 0 73 0 - 10.0-37.8 Violated in 0 structures by 0.00 A. Peak 6146 from nnoeabs.peaks (4.19, 8.35, 123.97 ppm; 3.60 A increased from 3.39 A): 1 out of 4 assignments used, quality = 0.99: * HB THR 18 + H LYS 19 OK 99 100 100 99 2.7-3.7 2.1/6147=65...(14) HB THR 83 - H LYS 86 far 0 44 0 - 5.1-5.3 HA ALA 88 - H LYS 86 far 0 68 0 - 6.8-7.3 HB THR 25 - H LYS 19 far 0 99 0 - 8.2-17.5 Violated in 2 structures by 0.01 A. Peak 6147 from nnoeabs.peaks (1.17, 8.35, 123.97 ppm; 3.72 A): 1 out of 4 assignments used, quality = 0.99: * QG2 THR 18 + H LYS 19 OK 99 100 100 99 2.2-2.5 2.1/6146=71, 4.3=63...(9) QG2 VAL 77 - H LYS 86 far 7 68 10 - 4.3-4.7 QG2 THR 25 - H LYS 19 far 0 90 0 - 5.5-14.6 QG2 VAL 77 - H LYS 19 far 0 97 0 - 7.8-30.1 Violated in 0 structures by 0.00 A. Peak 6148 from nnoeabs.peaks (4.27, 8.35, 123.97 ppm; 2.91 A increased from 2.74 A): 2 out of 16 assignments used, quality = 1.00: * HA LYS 19 + H LYS 19 OK 100 100 100 100 2.7-2.8 3.0=96, 3.0/6149=46...(12) HA THR 18 + H LYS 19 OK 52 71 80 92 3.5-3.6 3.6=54, 3.0/6144=43...(12) HA ARG 84 - H LYS 86 far 0 55 0 - 4.1-4.5 HA ALA 16 - H LYS 19 far 0 98 0 - 4.8-7.4 HA PHE 87 - H LYS 86 far 0 73 0 - 5.3-5.5 HA ALA 21 - H LYS 19 far 0 76 0 - 6.1-6.8 HA LEU 22 - H LYS 19 far 0 100 0 - 6.9-9.3 HA ALA 15 - H LYS 19 far 0 87 0 - 7.0-11.1 HA ARG 23 - H LYS 19 far 0 85 0 - 7.4-10.6 HA SER 74 - H LYS 19 far 0 73 0 - 7.6-33.8 HA ALA 15 - H LYS 86 far 0 57 0 - 8.0-44.3 HA LYS 31 - H LYS 19 far 0 97 0 - 8.6-26.7 HA ALA 12 - H LYS 19 far 0 87 0 - 8.9-20.1 HA ALA 21 - H LYS 86 far 0 48 0 - 9.3-34.0 HA THR 25 - H LYS 19 far 0 73 0 - 9.7-16.1 HA THR 18 - H LYS 86 far 0 44 0 - 10.0-37.8 Violated in 0 structures by 0.00 A. Peak 6149 from nnoeabs.peaks (1.75, 8.35, 123.97 ppm; 2.90 A): 1 out of 8 assignments used, quality = 0.96: * HB2 LYS 19 + H LYS 19 OK 96 100 100 96 2.6-2.9 3.9=40, 3.0/6151=34...(34) HB ILE 80 - H LYS 86 far 0 64 0 - 4.2-4.8 HB2 ARG 23 - H LYS 19 far 0 100 0 - 6.3-10.3 HB2 LYS 24 - H LYS 19 far 0 100 0 - 6.7-14.6 HG3 ARG 90 - H LYS 86 far 0 57 0 - 7.2-9.3 HG3 ARG 90 - H LYS 19 far 0 87 0 - 8.0-36.0 HB2 LYS 31 - H LYS 19 far 0 99 0 - 8.8-24.2 HG13 ILE 129 - H LYS 86 far 0 71 0 - 9.8-13.1 Violated in 4 structures by 0.00 A. Peak 6150 from nnoeabs.peaks (1.81, 8.35, 123.97 ppm; 3.60 A increased from 3.39 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 19 + H LYS 19 OK 100 100 100 100 3.5-3.6 1.8/6149=90, 3.9=77...(34) HB2 LYS 86 + H LYS 86 OK 57 58 100 98 2.3-3.5 4.0=74, 1.8/7140=34...(14) HB2 ARG 84 - H LYS 86 far 0 72 0 - 4.8-5.9 HB3 ARG 135 - H LYS 86 far 0 71 0 - 6.8-8.3 HB3 ARG 23 - H LYS 19 far 0 97 0 - 7.5-11.0 HB3 LYS 31 - H LYS 19 far 0 100 0 - 7.8-25.7 HB3 LYS 24 - H LYS 19 far 0 100 0 - 8.3-15.4 HB2 CYS 79 - H LYS 86 far 0 40 0 - 9.7-10.3 HB VAL 93 - H LYS 86 far 0 60 0 - 9.8-10.6 HB2 CYS 79 - H LYS 19 far 0 65 0 - 9.9-32.5 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 10 assignments used, quality = 1.00: * HG2 LYS 19 + H LYS 19 OK 100 100 100 100 1.9-2.5 3.0/6149=71, 1.8/6152=52...(51) QB ALA 21 - H LYS 19 far 0 76 0 - 4.3-4.7 QB ALA 15 - H LYS 19 far 0 87 0 - 4.9-10.3 HG3 LYS 31 - H LYS 19 far 0 68 0 - 6.5-26.7 QB ALA 21 - H LYS 86 far 0 48 0 - 6.9-29.2 QB ALA 15 - H LYS 86 far 0 57 0 - 7.3-35.9 HG2 LYS 24 - H LYS 19 far 0 92 0 - 7.4-12.9 QB ALA 12 - H LYS 86 far 0 72 0 - 7.9-35.7 QB ALA 12 - H LYS 19 far 0 100 0 - 8.1-17.9 QB ALA 28 - H LYS 19 far 0 85 0 - 10.0-21.3 Violated in 0 structures by 0.00 A. Peak 6152 from nnoeabs.peaks (1.44, 8.35, 123.97 ppm; 3.78 A increased from 3.56 A): 2 out of 7 assignments used, quality = 1.00: * HG3 LYS 19 + H LYS 19 OK 100 100 100 100 3.4-3.7 1.8/6151=76, 3.0/6149=73...(50) HG2 LYS 86 + H LYS 86 OK 38 48 85 94 3.7-4.5 4.5=61, 3.0/7140=29...(14) HG3 LYS 24 - H LYS 19 far 0 100 0 - 7.1-14.6 HG2 LYS 31 - H LYS 19 far 0 100 0 - 7.6-25.0 QB ALA 92 - H LYS 86 far 0 63 0 - 8.6-9.3 QB ALA 34 - H LYS 19 far 0 71 0 - 9.3-22.6 HG3 LYS 19 - H LYS 86 far 0 73 0 - 9.6-39.5 Violated in 0 structures by 0.00 A. Peak 6153 from nnoeabs.peaks (1.65, 8.35, 123.97 ppm; 5.14 A): 5 out of 15 assignments used, quality = 1.00: * HD2 LYS 19 + H LYS 19 OK 100 100 100 100 1.9-2.2 3.0/6151=90, 3.9/6149=88...(75) HD3 LYS 19 + H LYS 19 OK 100 100 100 100 2.8-3.5 3.0/6151=90, 3.9/6149=88...(73) HD3 LYS 86 + H LYS 86 OK 68 68 100 100 4.5-5.0 5.6=76, 9759/11241=60...(21) QB ALA 88 + H LYS 86 OK 65 65 100 100 4.7-5.4 2750/3.6=83, 3.0/7175=64...(11) HD2 LYS 86 + H LYS 86 OK 57 68 85 100 5.2-5.9 5.6=76, ~2704=49...(18) HG2 ARG 84 - H LYS 86 poor 16 65 25 - 4.5-6.3 HD3 LYS 31 - H LYS 19 far 5 97 5 - 5.2-25.6 HG3 ARG 84 - H LYS 86 far 0 65 0 - 5.8-7.2 HD2 LYS 31 - H LYS 19 far 0 96 0 - 6.4-25.6 HG3 ARG 23 - H LYS 19 far 0 76 0 - 7.5-11.8 HD3 LYS 24 - H LYS 19 far 0 97 0 - 8.5-14.5 HD2 LYS 86 - H LYS 19 far 0 97 0 - 8.5-33.7 HD3 LYS 86 - H LYS 19 far 0 97 0 - 8.6-34.6 HD2 LYS 24 - H LYS 19 far 0 96 0 - 9.1-14.2 HD3 LYS 19 - H LYS 86 far 0 73 0 - 9.4-41.0 Violated in 0 structures by 0.00 A. Peak 6154 from nnoeabs.peaks (1.65, 8.35, 123.97 ppm; 5.14 A): 5 out of 15 assignments used, quality = 1.00: HD2 LYS 19 + H LYS 19 OK 100 100 100 100 1.9-2.2 3.0/6151=90, 3.9/6149=88...(75) * HD3 LYS 19 + H LYS 19 OK 100 100 100 100 2.8-3.5 3.0/6151=90, 3.9/6149=88...(73) HD3 LYS 86 + H LYS 86 OK 68 68 100 100 4.5-5.0 5.6=76, 9759/11241=60...(21) QB ALA 88 + H LYS 86 OK 65 65 100 100 4.7-5.4 2750/3.6=83, 3.0/7175=64...(11) HD2 LYS 86 + H LYS 86 OK 57 68 85 100 5.2-5.9 5.6=76, ~2704=49...(18) HG2 ARG 84 - H LYS 86 poor 16 65 25 - 4.5-6.3 HD3 LYS 31 - H LYS 19 far 5 97 5 - 5.2-25.6 HG3 ARG 84 - H LYS 86 far 0 65 0 - 5.8-7.2 HD2 LYS 31 - H LYS 19 far 0 96 0 - 6.4-25.6 HG3 ARG 23 - H LYS 19 far 0 76 0 - 7.5-11.8 HD3 LYS 24 - H LYS 19 far 0 97 0 - 8.5-14.5 HD2 LYS 86 - H LYS 19 far 0 97 0 - 8.5-33.7 HD3 LYS 86 - H LYS 19 far 0 97 0 - 8.6-34.6 HD2 LYS 24 - H LYS 19 far 0 96 0 - 9.1-14.2 HD3 LYS 19 - H LYS 86 far 0 73 0 - 9.4-41.0 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 4 assignments used, quality = 0.99: * H VAL 20 + H LYS 19 OK 99 100 100 99 2.7-3.4 6159=89, 6161/6149=40...(12) HD22 ASN 85 - H LYS 86 far 3 55 5 - 4.0-6.0 H CYS 79 - H LYS 86 far 0 53 0 - 7.9-8.5 H CYS 79 - H LYS 19 far 0 83 0 - 9.7-32.4 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; 3.51 A increased from 3.31 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 19 + H VAL 20 OK 100 100 100 100 2.7-3.4 6157=100, 6149/6161=43...(12) H GLY 17 - H VAL 20 far 6 60 10 - 3.5-7.4 H LYS 24 - H VAL 20 far 0 83 0 - 5.7-9.5 H GLY 14 - H VAL 20 far 0 89 0 - 8.0-16.7 Violated in 0 structures by 0.00 A. Peak 6160 from nnoeabs.peaks (4.27, 8.06, 121.67 ppm; 3.63 A increased from 3.06 A): 2 out of 14 assignments used, quality = 1.00: * HA LYS 19 + H VAL 20 OK 100 100 100 100 3.5-3.5 3.6=100 HA THR 18 + H VAL 20 OK 37 71 65 80 3.8-5.4 3.6/6157=51...(6) HA ALA 16 - H VAL 20 far 5 98 5 - 4.0-9.3 HA ALA 21 - H VAL 20 far 0 76 0 - 4.4-5.5 HA ARG 23 - H VAL 20 far 0 85 0 - 5.9-8.8 HA ALA 15 - H VAL 20 far 0 87 0 - 6.1-12.2 HA ALA 12 - H VAL 20 far 0 87 0 - 6.5-21.0 HA LEU 22 - H VAL 20 far 0 100 0 - 6.8-7.8 HA LYS 31 - H VAL 20 far 0 97 0 - 7.0-24.1 HA SER 74 - H VAL 20 far 0 73 0 - 7.4-31.4 HA PHE 87 - H VAL 20 far 0 100 0 - 8.8-37.2 HA THR 25 - H VAL 20 far 0 73 0 - 9.2-14.0 HA GLN 27 - H VAL 20 far 0 76 0 - 9.2-18.4 HA LYS 26 - H VAL 20 far 0 100 0 - 9.3-14.4 Violated in 0 structures by 0.00 A. Peak 6161 from nnoeabs.peaks (1.75, 8.06, 121.67 ppm; 4.23 A increased from 3.76 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LYS 19 + H VAL 20 OK 100 100 100 100 3.5-4.2 258=97, 1.8/6162=84...(15) HB2 ARG 23 - H VAL 20 poor 20 100 20 - 4.0-8.5 HB2 LYS 24 - H VAL 20 far 0 100 0 - 6.3-12.4 HB2 LYS 31 - H VAL 20 far 0 99 0 - 7.1-21.7 HG3 ARG 90 - H VAL 20 far 0 87 0 - 7.6-33.9 HB ILE 80 - H VAL 20 far 0 95 0 - 9.8-33.7 Violated in 0 structures by 0.00 A. Peak 6162 from nnoeabs.peaks (1.81, 8.06, 121.67 ppm; 3.93 A increased from 3.70 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 19 + H VAL 20 OK 100 100 100 100 2.2-3.8 1.8/6161=67, 4.6=63...(15) HB3 ARG 23 - H VAL 20 far 0 97 0 - 5.1-8.9 HB3 LYS 31 - H VAL 20 far 0 100 0 - 6.5-23.3 HB2 LYS 86 - H VAL 20 far 0 89 0 - 7.9-34.7 HB3 LYS 24 - H VAL 20 far 0 100 0 - 8.1-13.1 HB2 CYS 79 - H VAL 20 far 0 65 0 - 9.2-30.2 Violated in 0 structures by 0.00 A. Peak 6163 from nnoeabs.peaks (1.36, 8.06, 121.67 ppm; 4.84 A): 2 out of 7 assignments used, quality = 1.00: * HG2 LYS 19 + H VAL 20 OK 100 100 100 100 1.9-2.1 10714/6171=89...(17) QB ALA 21 + H VAL 20 OK 75 76 100 99 3.8-4.5 2.9/6173=93, ~6176=51...(7) QB ALA 15 - H VAL 20 far 4 87 5 - 4.7-10.2 HG3 LYS 31 - H VAL 20 far 3 68 5 - 4.7-24.2 HG2 LYS 24 - H VAL 20 far 0 92 0 - 6.8-10.7 QB ALA 12 - H VAL 20 far 0 100 0 - 7.4-18.3 QB ALA 28 - H VAL 20 far 0 85 0 - 9.2-19.3 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 5 assignments used, quality = 1.00: * HG3 LYS 19 + H VAL 20 OK 100 100 100 100 2.4-3.7 3.0/6162=80, 3.0/6161=75...(14) HG2 LYS 31 - H VAL 20 far 0 100 0 - 5.4-22.6 HG3 LYS 24 - H VAL 20 far 0 100 0 - 7.2-12.5 HG2 LYS 86 - H VAL 20 far 0 76 0 - 8.2-33.7 QB ALA 34 - H VAL 20 far 0 71 0 - 8.5-20.6 Violated in 0 structures by 0.00 A. Peak 6165 from nnoeabs.peaks (1.65, 8.06, 121.67 ppm; 6.80 A): 3 out of 10 assignments used, quality = 1.00: HD3 LYS 19 + H VAL 20 OK 100 100 100 100 3.8-5.0 3.0/6164=98, 3.9/6162=98...(8) * HD2 LYS 19 + H VAL 20 OK 100 100 100 100 3.9-4.3 3.0/6164=98, 3.9/6162=98...(11) HG3 ARG 23 + H VAL 20 OK 41 76 55 98 4.7-9.3 ~11960=53, ~11943=53...(13) HD2 LYS 31 - H VAL 20 far 10 96 10 - 5.1-23.2 HD2 LYS 86 - H VAL 20 far 5 97 5 - 6.6-31.6 HD3 LYS 86 - H VAL 20 far 5 97 5 - 6.9-32.6 HD3 LYS 31 - H VAL 20 far 5 97 5 - 3.4-23.3 HD3 LYS 24 - H VAL 20 far 5 97 5 - 6.6-13.2 HD2 LYS 24 - H VAL 20 far 0 96 0 - 7.7-13.1 HD3 LYS 26 - H VAL 20 far 0 98 0 - 9.9-18.3 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 10 assignments used, quality = 1.00: * HD3 LYS 19 + H VAL 20 OK 100 100 100 100 3.8-5.0 3.0/6164=98, 3.9/6162=98...(8) HD2 LYS 19 + H VAL 20 OK 100 100 100 100 3.9-4.3 3.0/6164=98, 3.9/6162=98...(11) HG3 ARG 23 + H VAL 20 OK 41 76 55 98 4.7-9.3 ~11960=53, ~11943=53...(13) HD2 LYS 31 - H VAL 20 far 10 96 10 - 5.1-23.2 HD2 LYS 86 - H VAL 20 far 5 97 5 - 6.6-31.6 HD3 LYS 86 - H VAL 20 far 5 97 5 - 6.9-32.6 HD3 LYS 31 - H VAL 20 far 5 97 5 - 3.4-23.3 HD3 LYS 24 - H VAL 20 far 5 97 5 - 6.6-13.2 HD2 LYS 24 - H VAL 20 far 0 96 0 - 7.7-13.1 HD3 LYS 26 - H VAL 20 far 0 98 0 - 9.9-18.3 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 3 assignments used, quality = 1.00: * HA VAL 20 + H VAL 20 OK 100 100 100 100 2.7-2.9 3.0=100 HA3 GLY 17 - H VAL 20 far 3 60 5 - 3.5-6.6 HA2 GLY 17 - H VAL 20 far 0 60 0 - 3.7-6.2 Violated in 0 structures by 0.00 A. Peak 6170 from nnoeabs.peaks (2.00, 8.06, 121.67 ppm; 2.95 A increased from 2.78 A): 1 out of 4 assignments used, quality = 0.97: * HB VAL 20 + H VAL 20 OK 97 100 100 97 2.6-3.2 342=81, 2.1/6171=58...(7) HB3 MET 11 - H VAL 20 far 0 81 0 - 6.5-22.6 HG2 ARG 90 - H VAL 20 far 0 81 0 - 7.7-34.7 HB3 GLU 30 - H VAL 20 far 0 87 0 - 9.2-23.1 Violated in 2 structures by 0.03 A. Peak 6171 from nnoeabs.peaks (0.91, 8.06, 121.67 ppm; 3.05 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 20 + H VAL 20 OK 100 100 100 100 1.8-2.1 348=83, 2.1/6170=64...(12) QG2 VAL 20 - H VAL 20 far 0 90 0 - 3.7-3.8 QD1 LEU 22 - H VAL 20 far 0 95 0 - 6.7-8.1 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 3 assignments used, quality = 0.99: * QG2 VAL 20 + H VAL 20 OK 93 100 95 98 3.7-3.8 2.1/6170=71, 2.1/348=64...(8) QG1 VAL 20 + H VAL 20 OK 90 90 100 100 1.8-2.1 348=84, 2.1/6170=71...(13) QD1 LEU 22 - H VAL 20 far 0 100 0 - 6.7-8.1 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 2 assignments used, quality = 0.95: * H ALA 21 + H VAL 20 OK 95 100 100 95 2.3-2.9 6176/3.0=57, 6175=47...(10) H GLY 17 - H VAL 20 far 10 96 10 - 3.5-7.4 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 2 assignments used, quality = 1.00: * H VAL 20 + H ALA 21 OK 100 100 100 100 2.3-2.9 6173=100, 3.0/6176=84...(10) H CYS 79 - H ALA 21 far 0 83 0 - 8.6-28.7 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 3 assignments used, quality = 0.56: * HA VAL 20 + H ALA 21 OK 56 100 65 86 3.1-3.6 3.6=40, 3.0/6173=35...(9) HA2 GLY 17 - H ALA 21 far 0 60 0 - 4.6-6.9 HA3 GLY 17 - H ALA 21 far 0 60 0 - 4.6-6.5 Violated in 20 structures by 0.65 A. Peak 6177 from nnoeabs.peaks (2.00, 8.31, 127.69 ppm; 4.01 A increased from 3.57 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 20 + H ALA 21 OK 100 100 100 100 3.7-4.2 347=90, 3.0/6176=83...(11) HB3 MET 11 - H ALA 21 far 0 81 0 - 9.2-23.1 HB3 GLU 30 - H ALA 21 far 0 87 0 - 9.3-22.6 HG2 ARG 90 - H ALA 21 far 0 81 0 - 9.5-32.9 Violated in 2 structures by 0.01 A. Peak 6178 from nnoeabs.peaks (0.91, 8.31, 127.69 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 20 + H ALA 21 OK 100 100 100 100 1.9-4.0 353=100, 3.2/6176=79...(12) QG2 VAL 20 + H ALA 21 OK 90 90 100 100 3.1-4.4 3.2/6176=79, 4.3=77...(13) QD1 LEU 22 - H ALA 21 far 0 95 0 - 5.7-6.5 Violated in 0 structures by 0.00 A. Peak 6179 from nnoeabs.peaks (0.89, 8.31, 127.69 ppm; 4.15 A increased from 3.90 A): 2 out of 4 assignments used, quality = 1.00: * QG2 VAL 20 + H ALA 21 OK 100 100 100 100 3.1-4.4 4.3=87, 3.2/6176=83...(13) QG1 VAL 20 + H ALA 21 OK 90 90 100 100 1.9-4.0 4.3=87, 3.2/6176=83...(12) QD1 LEU 22 - H ALA 21 far 0 100 0 - 5.7-6.5 QD2 LEU 98 - H ALA 21 far 0 92 0 - 10.0-33.4 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 12 assignments used, quality = 1.00: * HA ALA 21 + H ALA 21 OK 100 100 100 100 2.8-2.9 3.0=100 HA THR 18 + H ALA 21 OK 47 100 80 58 3.0-4.1 10686/2.9=36...(6) HA LYS 19 - H ALA 21 poor 19 76 25 - 3.6-4.8 HA ALA 16 - H ALA 21 far 0 93 0 - 4.4-9.8 HA LEU 22 - H ALA 21 far 0 78 0 - 4.6-5.4 HA ARG 23 - H ALA 21 far 0 100 0 - 5.4-7.0 HA LYS 31 - H ALA 21 far 0 95 0 - 7.6-23.9 HA ALA 15 - H ALA 21 far 0 100 0 - 8.1-12.1 HA THR 25 - H ALA 21 far 0 100 0 - 8.5-12.6 HA ALA 12 - H ALA 21 far 0 100 0 - 8.9-21.8 HA SER 74 - H ALA 21 far 0 100 0 - 9.7-29.9 HA2 GLY 75 - H ALA 21 far 0 63 0 - 9.9-26.4 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 2.1-2.4 2.9=91, 367/6184=34...(8) HG2 LYS 19 - H ALA 21 far 0 76 0 - 3.7-4.5 QB ALA 12 - H ALA 21 far 0 87 0 - 9.5-19.2 Violated in 0 structures by 0.00 A. Peak 6182 from nnoeabs.peaks (8.15, 8.31, 127.69 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 22 + H ALA 21 OK 100 100 100 100 2.0-2.8 6184=100, 367/6181=78...(8) H ALA 15 - H ALA 21 far 0 99 0 - 9.2-14.0 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 3 assignments used, quality = 0.94: * H ALA 21 + H LEU 22 OK 94 100 100 94 2.0-2.8 6181/367=58, 6182=58...(8) H GLY 17 - H LEU 22 far 0 96 0 - 5.9-9.9 H ALA 28 - H LEU 22 far 0 85 0 - 6.6-17.7 Violated in 0 structures by 0.00 A. Peak 6185 from nnoeabs.peaks (4.29, 8.15, 121.80 ppm; 3.00 A increased from 2.53 A): 2 out of 9 assignments used, quality = 0.98: * HA ALA 21 + H LEU 22 OK 90 100 100 90 3.0-3.6 3.6=59, 2.1/367=56...(5) HA LEU 22 + H LEU 22 OK 78 78 100 100 2.8-2.9 2.9=100 HA LYS 19 - H LEU 22 far 0 76 0 - 3.6-5.5 HA ARG 23 - H LEU 22 far 0 100 0 - 3.9-5.3 HA THR 18 - H LEU 22 far 0 100 0 - 4.0-6.2 HA ALA 16 - H LEU 22 far 0 93 0 - 6.9-12.2 HA LYS 31 - H LEU 22 far 0 95 0 - 7.9-22.0 HA THR 25 - H LEU 22 far 0 100 0 - 8.0-10.6 HA LYS 26 - H LEU 22 far 0 81 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 6186 from nnoeabs.peaks (1.34, 8.15, 121.80 ppm; 3.24 A increased from 3.05 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 21 + H LEU 22 OK 100 100 100 100 2.1-3.5 367=100, 6181/6184=50...(7) HG2 LYS 19 - H LEU 22 far 0 76 0 - 5.0-6.7 Violated in 1 structures by 0.02 A. Peak 6187 from nnoeabs.peaks (4.27, 8.15, 121.80 ppm; 3.00 A increased from 2.53 A): 2 out of 10 assignments used, quality = 1.00: * HA LEU 22 + H LEU 22 OK 100 100 100 100 2.8-2.9 2.9=100 HA ALA 21 + H LEU 22 OK 71 78 100 91 3.0-3.6 3.6=59, 2.1/367=56...(6) HA LYS 19 - H LEU 22 far 0 100 0 - 3.6-5.5 HA ARG 23 - H LEU 22 far 0 87 0 - 3.9-5.3 HA THR 18 - H LEU 22 far 0 73 0 - 4.0-6.2 HA ALA 16 - H LEU 22 far 0 99 0 - 6.9-12.2 HA GLN 27 - H LEU 22 far 0 73 0 - 7.6-15.1 HA LYS 31 - H LEU 22 far 0 98 0 - 7.9-22.0 HA THR 25 - H LEU 22 far 0 76 0 - 8.0-10.6 HA LYS 26 - H LEU 22 far 0 100 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 6188 from nnoeabs.peaks (1.54, 8.15, 121.80 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 22 + H LEU 22 OK 100 100 100 100 2.2-3.2 1.8/6190=82, 376=79...(22) Violated in 0 structures by 0.00 A. Peak 6189 from nnoeabs.peaks (1.62, 8.15, 121.80 ppm; 2.95 A increased from 2.78 A): 1 out of 3 assignments used, quality = 0.96: * HB3 LEU 22 + H LEU 22 OK 96 100 100 96 2.0-3.0 1.8/6188=56, 384=54...(18) HG3 ARG 23 - H LEU 22 far 5 98 5 - 3.1-7.4 HG LEU 22 - H LEU 22 far 0 100 0 - 3.9-5.1 Violated in 1 structures by 0.00 A. Peak 6190 from nnoeabs.peaks (1.62, 8.15, 121.80 ppm; 2.93 A): 1 out of 3 assignments used, quality = 0.96: HB3 LEU 22 + H LEU 22 OK 96 100 100 96 2.0-3.0 1.8/6188=55, 384=52...(18) HG3 ARG 23 - H LEU 22 far 5 98 5 - 3.1-7.4 ! HG LEU 22 - H LEU 22 far 0 100 0 - 3.9-5.1 Violated in 1 structures by 0.01 A. Peak 6191 from nnoeabs.peaks (0.84, 8.15, 121.80 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 22 + H LEU 22 OK 100 100 100 100 3.1-4.4 400=100, 401/2.9=95...(15) QG2 ILE 80 - H LEU 22 far 0 63 0 - 9.0-26.2 Violated in 0 structures by 0.00 A. Peak 6192 from nnoeabs.peaks (0.89, 8.15, 121.80 ppm; 4.38 A increased from 3.69 A): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 22 + H LEU 22 OK 100 100 100 100 3.6-4.3 3.1/6190=85, 3.1/6188=78...(18) QG2 VAL 20 + H LEU 22 OK 80 100 90 88 4.0-5.5 4.3/6184=58...(4) QG1 VAL 20 + H LEU 22 OK 28 95 35 85 4.1-5.9 353/6184=59...(4) Violated in 0 structures by 0.00 A. Peak 6193 from nnoeabs.peaks (8.24, 8.15, 121.80 ppm; 5.58 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 23 + H LEU 22 OK 100 100 100 100 1.9-3.1 4.6=100 H LYS 31 - H LEU 22 far 0 96 0 - 8.4-19.8 H ALA 29 - H LEU 22 far 0 100 0 - 8.6-20.7 H GLU 30 - H LEU 22 far 0 89 0 - 9.9-20.7 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 2 assignments used, quality = 1.00: * H LEU 22 + H ARG 23 OK 100 100 100 100 1.9-3.1 4.6=100 H ILE 32 - H ARG 23 far 0 99 0 - 7.2-18.2 Violated in 0 structures by 0.00 A. Peak 6196 from nnoeabs.peaks (4.27, 8.24, 121.99 ppm; 3.00 A increased from 2.53 A): 2 out of 10 assignments used, quality = 1.00: * HA LEU 22 + H ARG 23 OK 100 100 100 100 2.8-3.6 375=100, 2.9/6197=30...(11) HA ARG 23 + H ARG 23 OK 87 87 100 100 2.3-2.9 2.9=100 HA ALA 21 - H ARG 23 poor 13 78 45 38 3.2-5.3 2.1/10726=28...(3) HA LYS 19 - H ARG 23 far 0 100 0 - 5.2-7.9 HA LYS 31 - H ARG 23 far 0 98 0 - 5.8-20.2 HA THR 18 - H ARG 23 far 0 73 0 - 6.5-8.0 HA THR 25 - H ARG 23 far 0 76 0 - 7.0-8.4 HA ALA 16 - H ARG 23 far 0 99 0 - 8.0-13.5 HA GLN 27 - H ARG 23 far 0 73 0 - 8.1-13.3 HA LYS 26 - H ARG 23 far 0 100 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 6197 from nnoeabs.peaks (1.54, 8.24, 121.99 ppm; 4.25 A increased from 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 22 + H ARG 23 OK 100 100 100 100 2.1-4.2 383=98, 2.9/375=91...(16) Violated in 0 structures by 0.00 A. Peak 6198 from nnoeabs.peaks (1.62, 8.24, 121.99 ppm; 4.58 A increased from 3.67 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 22 + H ARG 23 OK 100 100 100 100 3.0-4.5 4.6=97, 2.9/375=96...(14) HG3 ARG 23 + H ARG 23 OK 98 98 100 100 2.0-5.0 3.0/6203=92, 5.0=78...(18) HG LEU 22 - H ARG 23 far 5 100 5 - 4.6-6.0 Violated in 0 structures by 0.00 A. Peak 6199 from nnoeabs.peaks (1.62, 8.24, 121.99 ppm; 4.59 A increased from 3.86 A): 2 out of 3 assignments used, quality = 1.00: HB3 LEU 22 + H ARG 23 OK 100 100 100 100 3.0-4.5 4.6=97, 2.9/375=96...(14) HG3 ARG 23 + H ARG 23 OK 98 98 100 100 2.0-5.0 3.0/6203=92, 5.0=78...(18) ! HG LEU 22 - H ARG 23 far 5 100 5 - 4.6-6.0 Violated in 0 structures by 0.00 A. Peak 6200 from nnoeabs.peaks (0.84, 8.24, 121.99 ppm; 4.94 A increased from 4.65 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 22 + H ARG 23 OK 100 100 100 100 3.5-4.7 407=100, 401/375=99...(13) QG2 ILE 32 - H ARG 23 far 0 95 0 - 8.0-14.4 QD1 LEU 70 - H ARG 23 far 0 76 0 - 8.9-24.1 QG2 ILE 80 - H ARG 23 far 0 63 0 - 9.0-24.8 Violated in 0 structures by 0.00 A. Peak 6201 from nnoeabs.peaks (0.89, 8.24, 121.99 ppm; 4.53 A increased from 4.03 A): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 22 + H ARG 23 OK 100 100 100 100 3.9-4.6 374/375=84, 3.1/6197=67...(12) QG2 VAL 20 + H ARG 23 OK 86 100 100 86 2.8-5.0 3.2/11783=54...(8) QG1 VAL 20 + H ARG 23 OK 33 95 45 77 4.8-6.3 3.2/11783=54, ~10688=29...(6) Violated in 0 structures by 0.00 A. Peak 6202 from nnoeabs.peaks (4.29, 8.24, 121.99 ppm; 3.00 A increased from 2.53 A): 2 out of 9 assignments used, quality = 1.00: * HA ARG 23 + H ARG 23 OK 100 100 100 100 2.3-2.9 2.9=100 HA LEU 22 + H ARG 23 OK 81 87 100 94 2.8-3.6 375=80, 2.9/6197=30...(11) HA ALA 21 - H ARG 23 poor 17 100 45 38 3.2-5.3 2.1/10726=28, 6185/4.6=13 HA LYS 19 - H ARG 23 far 0 85 0 - 5.2-7.9 HA LYS 31 - H ARG 23 far 0 98 0 - 5.8-20.2 HA THR 18 - H ARG 23 far 0 99 0 - 6.5-8.0 HA THR 25 - H ARG 23 far 0 100 0 - 7.0-8.4 HA ALA 16 - H ARG 23 far 0 97 0 - 8.0-13.5 HA LYS 26 - H ARG 23 far 0 89 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 6203 from nnoeabs.peaks (1.75, 8.24, 121.99 ppm; 2.86 A): 1 out of 6 assignments used, quality = 0.91: * HB2 ARG 23 + H ARG 23 OK 91 100 100 91 2.1-2.9 425=59, 1.8/434=41...(8) HB2 LYS 31 - H ARG 23 far 5 96 5 - 3.3-18.7 HB2 LYS 24 - H ARG 23 far 0 99 0 - 4.2-6.6 HB2 LYS 19 - H ARG 23 far 0 100 0 - 6.9-9.7 HB2 LYS 26 - H ARG 23 far 0 100 0 - 9.3-11.5 HB ILE 80 - H ARG 23 far 0 87 0 - 9.8-28.0 Violated in 2 structures by 0.01 A. Peak 6204 from nnoeabs.peaks (1.82, 8.24, 121.99 ppm; 3.80 A increased from 3.04 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ARG 23 + H ARG 23 OK 100 100 100 100 2.3-3.9 434=100, 1.8/6203=95...(9) HB3 LYS 31 - H ARG 23 far 5 97 5 - 4.1-20.2 HB3 LYS 24 - H ARG 23 far 0 98 0 - 5.5-7.2 HB3 LYS 19 - H ARG 23 far 0 97 0 - 5.8-8.7 HB ILE 32 - H ARG 23 far 0 100 0 - 9.2-18.1 HB2 CYS 79 - H ARG 23 far 0 90 0 - 9.4-24.7 Violated in 1 structures by 0.01 A. Peak 6205 from nnoeabs.peaks (1.57, 8.24, 121.99 ppm; 4.18 A increased from 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 23 + H ARG 23 OK 100 100 100 100 2.2-4.2 3.0/6203=84, 3.0/434=68...(16) Violated in 1 structures by 0.00 A. Peak 6206 from nnoeabs.peaks (1.63, 8.24, 121.99 ppm; 4.54 A increased from 3.82 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 23 + H ARG 23 OK 100 100 100 100 2.0-5.0 3.0/6203=91, 3.0/434=77...(18) HB3 LEU 22 + H ARG 23 OK 98 98 100 100 3.0-4.5 2.9/375=95, 4.6=94...(14) HG LEU 22 - H ARG 23 far 5 98 5 - 4.6-6.0 HD2 LYS 19 - H ARG 23 far 0 76 0 - 8.4-10.5 HD3 LYS 19 - H ARG 23 far 0 76 0 - 8.5-10.9 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 5 assignments used, quality = 1.00: * HD2 ARG 23 + H ARG 23 OK 100 100 100 100 1.9-5.9 3.7/6203=95, 3.0/6205=88...(16) HD3 ARG 23 + H ARG 23 OK 100 100 100 100 2.3-5.9 3.7/6203=95, 3.0/6205=88...(16) HB2 HIS 10 - H ARG 23 far 0 99 0 - 6.4-31.5 HB3 HIS 7 - H ARG 23 far 0 93 0 - 9.4-39.7 HD2 ARG 90 - H ARG 23 far 0 100 0 - 9.9-27.6 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 5 assignments used, quality = 1.00: HD2 ARG 23 + H ARG 23 OK 100 100 100 100 1.9-5.9 3.7/6203=95, 3.0/6205=88...(16) * HD3 ARG 23 + H ARG 23 OK 100 100 100 100 2.3-5.9 3.7/6203=95, 3.0/6205=88...(16) HB2 HIS 10 - H ARG 23 far 0 99 0 - 6.4-31.5 HB3 HIS 7 - H ARG 23 far 0 93 0 - 9.4-39.7 HD2 ARG 90 - H ARG 23 far 0 100 0 - 9.9-27.6 Violated in 0 structures by 0.00 A. Peak 6209 from nnoeabs.peaks (8.37, 8.24, 121.99 ppm; 3.47 A increased from 3.26 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 24 + H ARG 23 OK 100 100 100 100 2.4-4.0 6211=94, 424/2.9=60...(14) H LYS 19 - H ARG 23 far 0 83 0 - 6.6-8.7 H GLN 27 - H ARG 23 far 0 85 0 - 7.0-12.3 H LYS 26 - H ARG 23 far 0 100 0 - 8.3-9.8 H ASP 35 - H ARG 23 far 0 89 0 - 9.9-19.0 Violated in 3 structures by 0.06 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; 3.54 A increased from 3.15 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 23 + H LYS 24 OK 100 100 100 100 2.4-4.0 6209=100, 2.9/424=62...(14) H LYS 31 - H LYS 24 far 0 96 0 - 6.2-17.0 H ALA 29 - H LYS 24 far 0 100 0 - 7.5-16.1 H GLU 30 - H LYS 24 far 0 89 0 - 7.5-16.5 H SER 33 - H LYS 24 far 0 95 0 - 7.7-15.7 Violated in 3 structures by 0.05 A. Peak 6212 from nnoeabs.peaks (4.29, 8.37, 122.93 ppm; 3.15 A increased from 2.52 A): 2 out of 8 assignments used, quality = 1.00: * HA ARG 23 + H LYS 24 OK 100 100 100 100 2.3-3.2 424=100, 2.9/6209=45...(7) HA LEU 22 + H LYS 24 OK 33 87 60 63 2.9-5.1 375/6209=40...(7) HA ALA 21 - H LYS 24 far 0 100 0 - 3.8-7.9 HA LYS 19 - H LYS 24 far 0 85 0 - 4.7-10.6 HA THR 25 - H LYS 24 far 0 100 0 - 4.9-5.5 HA LYS 26 - H LYS 24 far 0 89 0 - 6.4-7.4 HA LYS 31 - H LYS 24 far 0 98 0 - 7.1-18.7 HA THR 18 - H LYS 24 far 0 99 0 - 7.4-11.5 Violated in 0 structures by 0.00 A. Peak 6213 from nnoeabs.peaks (1.75, 8.37, 122.93 ppm; 3.26 A): 1 out of 5 assignments used, quality = 0.99: HB2 LYS 24 + H LYS 24 OK 99 99 100 100 2.4-3.6 1.8/6214=60, 3.0/479=58...(23) ! HB2 ARG 23 - H LYS 24 far 5 100 5 - 3.6-4.7 HB2 LYS 31 - H LYS 24 far 0 96 0 - 4.2-17.9 HB2 LYS 19 - H LYS 24 far 0 100 0 - 6.2-12.3 HB2 LYS 26 - H LYS 24 far 0 100 0 - 7.9-9.4 Violated in 2 structures by 0.03 A. Peak 6214 from nnoeabs.peaks (1.82, 8.37, 122.93 ppm; 3.61 A increased from 3.40 A): 1 out of 7 assignments used, quality = 0.98: HB3 LYS 24 + H LYS 24 OK 98 98 100 100 2.7-3.9 1.8/6220=86, 482/479=71...(19) ! HB3 ARG 23 - H LYS 24 far 5 100 5 - 3.6-4.6 HB3 LYS 19 - H LYS 24 far 0 97 0 - 4.8-11.3 HB3 LYS 31 - H LYS 24 far 0 97 0 - 5.6-19.3 HB3 LYS 26 - H LYS 24 far 0 100 0 - 8.5-9.6 HB ILE 32 - H LYS 24 far 0 100 0 - 8.6-16.0 HB2 CYS 79 - H LYS 24 far 0 90 0 - 9.4-21.7 Violated in 2 structures by 0.02 A. Peak 6215 from nnoeabs.peaks (1.57, 8.37, 122.93 ppm; 4.57 A increased from 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 23 + H LYS 24 OK 100 100 100 100 3.5-4.7 4.6=98, 3.8/424=76...(5) Violated in 3 structures by 0.01 A. Peak 6216 from nnoeabs.peaks (1.63, 8.37, 122.93 ppm; 5.38 A increased from 4.30 A): 3 out of 5 assignments used, quality = 1.00: * HG3 ARG 23 + H LYS 24 OK 100 100 100 100 4.4-5.6 4.6=100 HB3 LEU 22 + H LYS 24 OK 91 98 95 98 4.6-6.4 3.1/10733=77...(5) HG LEU 22 + H LYS 24 OK 75 98 80 96 5.0-6.9 2.1/10733=88, 460=32...(7) HD2 LYS 19 - H LYS 24 far 0 76 0 - 7.9-13.4 HD3 LYS 19 - H LYS 24 far 0 76 0 - 8.5-13.4 Violated in 0 structures by 0.00 A. Peak 6219 from nnoeabs.peaks (4.33, 8.37, 122.93 ppm; 3.00 A increased from 2.52 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 24 + H LYS 24 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6220 from nnoeabs.peaks (1.75, 8.37, 122.93 ppm; 3.09 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 24 + H LYS 24 OK 100 100 100 100 2.4-3.6 1.8/6214=54, 3.0/479=53...(21) HB2 ARG 23 - H LYS 24 far 5 99 5 - 3.6-4.7 HB2 LYS 31 - H LYS 24 far 0 100 0 - 4.2-17.9 HB2 LYS 19 - H LYS 24 far 0 100 0 - 6.2-12.3 HB2 LYS 26 - H LYS 24 far 0 100 0 - 7.9-9.4 Violated in 2 structures by 0.05 A. Peak 6221 from nnoeabs.peaks (1.81, 8.37, 122.93 ppm; 3.67 A increased from 3.45 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LYS 24 + H LYS 24 OK 100 100 100 100 2.7-3.9 1.8/6220=88, 482/479=74...(19) HB3 ARG 23 - H LYS 24 far 15 98 15 - 3.6-4.6 HB3 LYS 19 - H LYS 24 far 0 100 0 - 4.8-11.3 HB3 LYS 31 - H LYS 24 far 0 100 0 - 5.6-19.3 HB3 LYS 26 - H LYS 24 far 0 100 0 - 8.5-9.6 HB ILE 32 - H LYS 24 far 0 100 0 - 8.6-16.0 HB2 CYS 79 - H LYS 24 far 0 71 0 - 9.4-21.7 Violated in 2 structures by 0.02 A. Peak 6222 from nnoeabs.peaks (1.38, 8.37, 122.93 ppm; 3.25 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 24 + H LYS 24 OK 100 100 100 100 1.9-3.3 1.8/6223=60, 2.9/6220=54...(27) QB ALA 28 - H LYS 24 far 5 100 5 - 3.6-13.2 HG3 LYS 31 - H LYS 24 far 0 97 0 - 5.2-19.3 HG2 LYS 19 - H LYS 24 far 0 92 0 - 6.3-11.2 HG3 LYS 26 - H LYS 24 far 0 100 0 - 7.3-8.8 QB ALA 29 - H LYS 24 far 0 100 0 - 8.4-15.1 QB ALA 16 - H LYS 24 far 0 71 0 - 9.9-14.8 Violated in 1 structures by 0.00 A. Peak 6223 from nnoeabs.peaks (1.45, 8.37, 122.93 ppm; 3.61 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 24 + H LYS 24 OK 100 100 100 100 2.6-3.7 1.8/6222=82, 2.9/6220=65...(30) HG2 LYS 31 - H LYS 24 far 0 100 0 - 5.5-20.1 HG3 LYS 19 - H LYS 24 far 0 100 0 - 6.5-12.1 HG13 ILE 32 - H LYS 24 far 0 99 0 - 7.3-14.5 QB ALA 34 - H LYS 24 far 0 65 0 - 7.4-13.7 HG2 LYS 26 - H LYS 24 far 0 95 0 - 7.5-10.2 Violated in 3 structures by 0.01 A. Peak 6228 from nnoeabs.peaks (8.10, 8.37, 122.93 ppm; 3.19 A): 1 out of 1 assignment used, quality = 0.99: * H THR 25 + H LYS 24 OK 99 100 100 99 2.7-3.3 6230=84, 3.6/479=45...(9) Violated in 4 structures by 0.01 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; 3.38 A increased from 3.00 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 24 + H THR 25 OK 100 100 100 100 2.7-3.3 6228=100, 479/3.6=51...(9) H LYS 26 - H THR 25 far 0 100 0 - 4.3-4.6 H GLN 27 - H THR 25 far 0 85 0 - 4.7-7.4 H LYS 19 - H THR 25 far 0 83 0 - 7.3-14.7 H ASP 35 - H THR 25 far 0 89 0 - 7.7-14.3 Violated in 0 structures by 0.00 A. Peak 6231 from nnoeabs.peaks (4.33, 8.10, 115.50 ppm; 3.61 A increased from 3.04 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 24 + H THR 25 OK 100 100 100 100 3.5-3.6 3.6=100 HA2 GLY 75 - H THR 25 far 0 89 0 - 8.8-16.5 Violated in 0 structures by 0.00 A. Peak 6232 from nnoeabs.peaks (1.75, 8.10, 115.50 ppm; 3.47 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 24 + H THR 25 OK 100 100 100 100 1.8-3.4 1.8/6233=78, 500=64...(11) HB2 LYS 19 - H THR 25 far 0 100 0 - 5.5-15.2 HB2 LYS 26 - H THR 25 far 0 100 0 - 5.8-7.4 HB2 LYS 31 - H THR 25 far 0 100 0 - 6.0-15.7 HB2 ARG 23 - H THR 25 far 0 99 0 - 6.2-7.3 Violated in 0 structures by 0.00 A. Peak 6233 from nnoeabs.peaks (1.81, 8.10, 115.50 ppm; 3.26 A): 1 out of 7 assignments used, quality = 0.99: * HB3 LYS 24 + H THR 25 OK 99 100 100 99 1.9-3.2 1.8/6232=64, 482/3.6=48...(12) HB3 LYS 19 - H THR 25 far 0 100 0 - 4.1-14.1 HB3 ARG 23 - H THR 25 far 0 98 0 - 5.1-6.9 HB3 LYS 26 - H THR 25 far 0 100 0 - 6.8-7.7 HB3 LYS 31 - H THR 25 far 0 100 0 - 7.2-17.0 HB ILE 32 - H THR 25 far 0 100 0 - 8.8-13.4 HB2 CYS 79 - H THR 25 far 0 71 0 - 10.0-20.4 Violated in 0 structures by 0.00 A. Peak 6234 from nnoeabs.peaks (1.38, 8.10, 115.50 ppm; 4.10 A increased from 3.45 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 24 + H THR 25 OK 100 100 100 100 3.8-4.2 2.9/6233=76, 2.9/6232=72...(12) QB ALA 28 - H THR 25 far 0 100 0 - 5.1-10.7 HG3 LYS 26 - H THR 25 far 0 100 0 - 5.4-6.3 HG2 LYS 19 - H THR 25 far 0 92 0 - 6.5-13.8 QB ALA 29 - H THR 25 far 0 100 0 - 7.1-12.7 HG3 LYS 31 - H THR 25 far 0 97 0 - 7.5-17.3 QB ALA 15 - H THR 25 far 0 100 0 - 8.5-18.4 Violated in 1 structures by 0.01 A. Peak 6235 from nnoeabs.peaks (1.45, 8.10, 115.50 ppm; 5.15 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 24 + H THR 25 OK 100 100 100 100 4.2-4.5 1.8/6234=98, 2.9/6233=96...(16) HG2 LYS 26 - H THR 25 far 14 95 15 - 5.4-8.0 HG3 LYS 19 - H THR 25 far 0 100 0 - 5.9-14.9 QB ALA 34 - H THR 25 far 0 65 0 - 6.9-12.1 HG13 ILE 32 - H THR 25 far 0 99 0 - 7.5-11.8 HG2 LYS 31 - H THR 25 far 0 100 0 - 7.8-18.1 Violated in 0 structures by 0.00 A. Peak 6236 from nnoeabs.peaks (1.66, 8.10, 115.50 ppm; 5.16 A): 2 out of 8 assignments used, quality = 1.00: HD3 LYS 24 + H THR 25 OK 100 100 100 100 2.9-5.3 3.5/6233=89, 3.5/6232=87...(11) * HD2 LYS 24 + H THR 25 OK 75 100 75 100 3.8-5.9 3.5/6233=89, 3.5/6232=87...(14) HD3 LYS 26 - H THR 25 far 0 100 0 - 6.1-8.6 HD2 LYS 26 - H THR 25 far 0 100 0 - 6.9-8.5 HD2 LYS 19 - H THR 25 far 0 96 0 - 7.6-16.2 HD3 LYS 19 - H THR 25 far 0 96 0 - 8.3-16.1 HD2 LYS 31 - H THR 25 far 0 100 0 - 9.4-19.0 HD3 LYS 31 - H THR 25 far 0 100 0 - 9.7-18.3 Violated in 0 structures by 0.00 A. Peak 6237 from nnoeabs.peaks (1.66, 8.10, 115.50 ppm; 5.16 A): 2 out of 8 assignments used, quality = 1.00: * HD3 LYS 24 + H THR 25 OK 100 100 100 100 2.9-5.3 3.5/6233=89, 3.5/6232=87...(11) HD2 LYS 24 + H THR 25 OK 75 100 75 100 3.8-5.9 3.5/6233=89, 3.5/6232=87...(14) HD3 LYS 26 - H THR 25 far 0 100 0 - 6.1-8.6 HD2 LYS 26 - H THR 25 far 0 100 0 - 6.9-8.5 HD2 LYS 19 - H THR 25 far 0 97 0 - 7.6-16.2 HD3 LYS 19 - H THR 25 far 0 97 0 - 8.3-16.1 HD2 LYS 31 - H THR 25 far 0 100 0 - 9.4-19.0 HD3 LYS 31 - H THR 25 far 0 100 0 - 9.7-18.3 Violated in 0 structures by 0.00 A. Peak 6240 from nnoeabs.peaks (4.29, 8.10, 115.50 ppm; 3.04 A): 1 out of 10 assignments used, quality = 1.00: * HA THR 25 + H THR 25 OK 100 100 100 100 2.7-2.9 3.0=100 HA ALA 21 - H THR 25 far 5 100 5 - 3.6-10.4 HA ARG 23 - H THR 25 far 0 100 0 - 4.3-5.8 HA LYS 26 - H THR 25 far 0 78 0 - 4.6-6.0 HA LEU 22 - H THR 25 far 0 76 0 - 4.7-8.0 HA LYS 19 - H THR 25 far 0 73 0 - 5.0-13.6 HA THR 18 - H THR 25 far 0 100 0 - 6.8-14.2 HA2 GLY 75 - H THR 25 far 0 65 0 - 8.8-16.5 HA LYS 31 - H THR 25 far 0 93 0 - 8.8-16.5 HA SER 74 - H THR 25 far 0 100 0 - 9.2-20.5 Violated in 0 structures by 0.00 A. Peak 6241 from nnoeabs.peaks (4.20, 8.10, 115.50 ppm; 3.36 A increased from 2.99 A): 1 out of 3 assignments used, quality = 1.00: * HB THR 25 + H THR 25 OK 100 100 100 100 2.9-3.6 583=100, 2.1/6242=76...(6) HA ALA 29 - H THR 25 far 0 65 0 - 8.1-13.1 HB THR 18 - H THR 25 far 0 99 0 - 9.1-16.5 Violated in 1 structures by 0.01 A. Peak 6242 from nnoeabs.peaks (1.19, 8.10, 115.50 ppm; 2.92 A): 1 out of 3 assignments used, quality = 0.90: * QG2 THR 25 + H THR 25 OK 90 100 100 90 1.8-2.7 2.1/583=50, 588=42...(10) HG12 ILE 32 - H THR 25 far 0 71 0 - 6.4-11.3 QG2 THR 18 - H THR 25 far 0 90 0 - 7.0-13.3 Violated in 0 structures by 0.00 A. Peak 6243 from nnoeabs.peaks (8.37, 8.10, 115.50 ppm; 3.38 A increased from 3.00 A): 1 out of 5 assignments used, quality = 1.00: H LYS 24 + H THR 25 OK 100 100 100 100 2.7-3.3 6228=100, 479/3.6=51...(9) ! H LYS 26 - H THR 25 far 0 100 0 - 4.3-4.6 H GLN 27 - H THR 25 far 0 87 0 - 4.7-7.4 H LYS 19 - H THR 25 far 0 81 0 - 7.3-14.7 H ASP 35 - H THR 25 far 0 90 0 - 7.7-14.3 Violated in 0 structures by 0.00 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): 0 out of 1 assignment used, quality = 0.00: ! H THR 25 - H LYS 26 far 0 100 0 - 4.3-4.6 Violated in 20 structures by 1.25 A. Peak 6246 from nnoeabs.peaks (4.29, 8.37, 123.67 ppm; 2.82 A increased from 2.50 A): 2 out of 11 assignments used, quality = 1.00: * HA THR 25 + H LYS 26 OK 100 100 100 100 2.3-2.7 582=100, 3.2/6248=33...(11) HA LYS 26 + H LYS 26 OK 77 78 100 98 2.7-2.9 2.9=88, 3.0/6250=45...(9) HA ARG 23 - H LYS 26 far 0 100 0 - 6.9-8.7 HA LEU 22 - H LYS 26 far 0 76 0 - 7.0-12.0 HA2 GLY 75 - H LYS 26 far 0 65 0 - 7.3-15.4 HA LYS 31 - H LYS 26 far 0 93 0 - 7.5-13.9 HA ALA 21 - H LYS 26 far 0 100 0 - 7.9-14.2 HA LYS 36 - H LYS 26 far 0 90 0 - 9.3-15.4 HA LYS 19 - H LYS 26 far 0 73 0 - 9.3-16.8 HA THR 18 - H LYS 26 far 0 100 0 - 9.4-17.1 HA SER 74 - H LYS 26 far 0 100 0 - 9.9-19.8 Violated in 0 structures by 0.00 A. Peak 6247 from nnoeabs.peaks (4.20, 8.37, 123.67 ppm; 3.73 A increased from 3.14 A): 1 out of 4 assignments used, quality = 0.99: * HB THR 25 + H LYS 26 OK 99 100 100 99 2.4-3.7 2.1/6248=75, 3.0/582=73...(12) HA ALA 29 - H LYS 26 far 0 65 0 - 4.6-9.0 HA GLU 30 - H LYS 26 far 0 73 0 - 7.7-12.1 HA ALA 34 - H LYS 26 far 0 76 0 - 8.3-12.8 Violated in 0 structures by 0.00 A. Peak 6248 from nnoeabs.peaks (1.19, 8.37, 123.67 ppm; 3.43 A): 1 out of 3 assignments used, quality = 0.97: * QG2 THR 25 + H LYS 26 OK 97 100 100 97 2.4-3.9 3.2/582=60, 2.1/6247=59...(7) HG12 ILE 32 - H LYS 26 far 0 71 0 - 4.4-8.9 QG2 THR 18 - H LYS 26 far 0 90 0 - 9.2-15.7 Violated in 4 structures by 0.06 A. Peak 6249 from nnoeabs.peaks (4.27, 8.37, 123.67 ppm; 2.83 A increased from 2.51 A): 2 out of 11 assignments used, quality = 1.00: * HA LYS 26 + H LYS 26 OK 98 100 100 98 2.7-2.9 2.9=89, 3.0/6250=46...(10) HA THR 25 + H LYS 26 OK 71 78 100 91 2.3-2.7 582=68, 3.2/6248=33...(10) HA GLN 27 - H LYS 26 far 0 71 0 - 4.8-5.6 HA ARG 23 - H LYS 26 far 0 89 0 - 6.9-8.7 HA LEU 22 - H LYS 26 far 0 100 0 - 7.0-12.0 HA LYS 31 - H LYS 26 far 0 99 0 - 7.5-13.9 HA ALA 21 - H LYS 26 far 0 81 0 - 7.9-14.2 HA LYS 36 - H LYS 26 far 0 99 0 - 9.3-15.4 HA LYS 19 - H LYS 26 far 0 100 0 - 9.3-16.8 HA THR 18 - H LYS 26 far 0 76 0 - 9.4-17.1 HA SER 74 - H LYS 26 far 0 78 0 - 9.9-19.8 Violated in 0 structures by 0.00 A. Peak 6250 from nnoeabs.peaks (1.75, 8.37, 123.67 ppm; 2.70 A): 1 out of 5 assignments used, quality = 0.51: * HB2 LYS 26 + H LYS 26 OK 51 100 55 94 2.5-3.8 1.8/6251=36, 3.0/6253=31...(28) HB2 LYS 31 - H LYS 26 far 0 99 0 - 5.1-13.2 HB2 LYS 24 - H LYS 26 far 0 100 0 - 6.0-7.1 HB2 ARG 23 - H LYS 26 far 0 100 0 - 8.1-10.6 HB2 LYS 19 - H LYS 26 far 0 100 0 - 9.1-18.2 Violated in 16 structures by 0.49 A. Peak 6251 from nnoeabs.peaks (1.82, 8.37, 123.67 ppm; 3.73 A increased from 2.98 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LYS 26 + H LYS 26 OK 100 100 100 100 2.8-3.7 1.8/6250=96, 4.0=78...(29) HB ILE 32 - H LYS 26 far 0 100 0 - 5.4-9.1 HB3 LYS 31 - H LYS 26 far 0 99 0 - 5.8-14.3 HB3 LYS 24 - H LYS 26 far 0 100 0 - 6.0-7.0 HB3 ARG 23 - H LYS 26 far 0 100 0 - 6.4-10.5 HB3 LYS 19 - H LYS 26 far 0 99 0 - 7.6-16.8 HB2 LYS 36 - H LYS 26 far 0 100 0 - 9.6-14.7 Violated in 2 structures by 0.00 A. Peak 6252 from nnoeabs.peaks (1.43, 8.37, 123.67 ppm; 3.61 A): 1 out of 6 assignments used, quality = 1.00: * HG2 LYS 26 + H LYS 26 OK 100 100 100 100 2.6-3.9 1.8/6253=74, 3.0/6250=72...(52) HG13 ILE 32 - H LYS 26 far 0 99 0 - 4.5-8.6 QB ALA 34 - H LYS 26 far 0 93 0 - 5.9-9.3 HG2 LYS 31 - H LYS 26 far 0 98 0 - 6.8-15.7 HG3 LYS 24 - H LYS 26 far 0 95 0 - 8.4-8.8 HG3 LYS 19 - H LYS 26 far 0 97 0 - 8.6-17.2 Violated in 4 structures by 0.04 A. Peak 6253 from nnoeabs.peaks (1.38, 8.37, 123.67 ppm; 3.55 A): 1 out of 7 assignments used, quality = 1.00: * HG3 LYS 26 + H LYS 26 OK 100 100 100 100 1.7-3.0 1.8/6252=71, 3.0/6250=70...(45) QB ALA 29 - H LYS 26 far 0 100 0 - 5.0-9.3 QB ALA 28 - H LYS 26 far 0 100 0 - 5.5-7.8 HG3 LYS 31 - H LYS 26 far 0 98 0 - 7.3-14.7 HG2 LYS 24 - H LYS 26 far 0 100 0 - 8.1-8.5 QB ALA 15 - H LYS 26 far 0 100 0 - 8.8-20.8 HG2 LYS 19 - H LYS 26 far 0 89 0 - 9.7-16.7 Violated in 0 structures by 0.00 A. Peak 6254 from nnoeabs.peaks (1.66, 8.37, 123.67 ppm; 4.69 A): 2 out of 7 assignments used, quality = 1.00: HD3 LYS 26 + H LYS 26 OK 100 100 100 100 2.6-4.9 3.5/6250=89, 2.9/6253=85...(71) * HD2 LYS 26 + H LYS 26 OK 90 100 90 100 3.5-5.5 3.5/6250=89, 2.9/6253=85...(72) HD3 LYS 24 - H LYS 26 far 0 100 0 - 7.2-9.4 HD3 LYS 31 - H LYS 26 far 0 100 0 - 7.3-15.9 HD2 LYS 31 - H LYS 26 far 0 100 0 - 7.4-15.7 HD2 LYS 24 - H LYS 26 far 0 100 0 - 7.9-10.1 HD2 LYS 36 - H LYS 26 far 0 97 0 - 9.9-14.3 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 7 assignments used, quality = 1.00: * HD3 LYS 26 + H LYS 26 OK 100 100 100 100 2.6-4.9 3.5/6250=89, 2.9/6253=85...(71) HD2 LYS 26 + H LYS 26 OK 90 100 90 100 3.5-5.5 3.5/6250=89, 2.9/6253=85...(72) HD3 LYS 24 - H LYS 26 far 0 100 0 - 7.2-9.4 HD3 LYS 31 - H LYS 26 far 0 100 0 - 7.3-15.9 HD2 LYS 31 - H LYS 26 far 0 100 0 - 7.4-15.7 HD2 LYS 24 - H LYS 26 far 0 100 0 - 7.9-10.1 HD2 LYS 36 - H LYS 26 far 0 96 0 - 9.9-14.3 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; 3.01 A increased from 2.68 A): 2 out of 8 assignments used, quality = 0.98: * HA LYS 26 + H GLN 27 OK 93 100 100 93 2.6-3.6 3.6=60, 3.0/6263=43...(9) HA GLN 27 + H GLN 27 OK 71 71 100 100 2.3-2.9 3.0=100 HA THR 25 - H GLN 27 far 0 78 0 - 3.9-6.7 HA LEU 22 - H GLN 27 far 0 100 0 - 4.8-14.2 HA LYS 31 - H GLN 27 far 0 99 0 - 6.9-9.9 HA ALA 21 - H GLN 27 far 0 81 0 - 7.0-16.1 HA ARG 23 - H GLN 27 far 0 89 0 - 7.4-9.9 HA THR 18 - H GLN 27 far 0 76 0 - 7.6-18.9 Violated in 0 structures by 0.00 A. Peak 6262 from nnoeabs.peaks (1.75, 8.39, 121.72 ppm; 3.46 A increased from 3.26 A): 1 out of 5 assignments used, quality = 0.93: * HB2 LYS 26 + H GLN 27 OK 93 100 95 98 2.0-4.3 1.8/6263=77, 4.5=46...(10) HB2 LYS 31 - H GLN 27 far 0 99 0 - 5.3-8.9 HB2 LYS 24 - H GLN 27 far 0 100 0 - 6.5-10.7 HB2 ARG 23 - H GLN 27 far 0 100 0 - 9.1-12.4 HB2 LYS 19 - H GLN 27 far 0 100 0 - 9.7-19.5 Violated in 3 structures by 0.05 A. Peak 6263 from nnoeabs.peaks (1.82, 8.39, 121.72 ppm; 3.26 A): 1 out of 6 assignments used, quality = 0.91: * HB3 LYS 26 + H GLN 27 OK 91 100 95 96 1.8-3.9 1.8/6262=65, 4.5=39...(13) HB ILE 32 - H GLN 27 far 0 100 0 - 5.6-8.3 HB3 LYS 31 - H GLN 27 far 0 99 0 - 6.2-10.0 HB3 LYS 24 - H GLN 27 far 0 100 0 - 7.3-10.3 HB3 ARG 23 - H GLN 27 far 0 100 0 - 7.9-12.5 HB3 LYS 19 - H GLN 27 far 0 99 0 - 8.1-18.0 Violated in 2 structures by 0.04 A. Peak 6264 from nnoeabs.peaks (1.43, 8.39, 121.72 ppm; 4.75 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 26 + H GLN 27 OK 100 100 100 100 3.0-4.7 3.0/6263=90, 5.0=87...(19) HG13 ILE 32 + H GLN 27 OK 57 99 80 72 3.3-6.1 1.8/10758=30...(9) QB ALA 34 - H GLN 27 far 0 93 0 - 7.3-9.3 HG2 LYS 31 - H GLN 27 far 0 98 0 - 7.3-11.4 HG3 LYS 19 - H GLN 27 far 0 97 0 - 8.2-18.7 HG3 LYS 24 - H GLN 27 far 0 95 0 - 8.7-11.8 Violated in 0 structures by 0.00 A. Peak 6265 from nnoeabs.peaks (1.38, 8.39, 121.72 ppm; 4.54 A increased from 3.63 A): 2 out of 7 assignments used, quality = 1.00: * HG3 LYS 26 + H GLN 27 OK 100 100 100 100 2.4-4.6 3.0/6263=86, 3.0/6262=82...(16) QB ALA 28 + H GLN 27 OK 69 100 70 98 3.7-5.7 6304/4.6=66...(8) QB ALA 29 - H GLN 27 far 10 100 10 - 4.9-7.9 HG3 LYS 31 - H GLN 27 far 0 98 0 - 7.5-10.6 QB ALA 15 - H GLN 27 far 0 100 0 - 8.2-22.1 HG2 LYS 24 - H GLN 27 far 0 100 0 - 8.3-11.2 HG2 LYS 19 - H GLN 27 far 0 89 0 - 9.3-18.3 Violated in 0 structures by 0.00 A. Peak 6266 from nnoeabs.peaks (1.66, 8.39, 121.72 ppm; 5.28 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 26 + H GLN 27 OK 100 100 100 100 1.9-5.0 3.5/6263=91, 3.5/6262=89...(21) HD3 LYS 26 + H GLN 27 OK 100 100 100 100 2.6-5.8 3.5/6263=91, 3.5/6262=89...(17) HD2 LYS 31 - H GLN 27 far 0 100 0 - 8.0-12.6 HD3 LYS 31 - H GLN 27 far 0 100 0 - 8.5-11.7 HD3 LYS 24 - H GLN 27 far 0 100 0 - 9.1-12.2 HD2 LYS 24 - H GLN 27 far 0 100 0 - 9.9-13.0 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 6 assignments used, quality = 1.00: * HD3 LYS 26 + H GLN 27 OK 100 100 100 100 2.6-5.8 3.5/6263=91, 3.5/6262=89...(17) HD2 LYS 26 + H GLN 27 OK 100 100 100 100 1.9-5.0 3.5/6263=91, 3.5/6262=89...(21) HD2 LYS 31 - H GLN 27 far 0 100 0 - 8.0-12.6 HD3 LYS 31 - H GLN 27 far 0 100 0 - 8.5-11.7 HD3 LYS 24 - H GLN 27 far 0 100 0 - 9.1-12.2 HD2 LYS 24 - H GLN 27 far 0 100 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 6270 from nnoeabs.peaks (4.24, 8.39, 121.72 ppm; 2.97 A increased from 2.50 A): 2 out of 6 assignments used, quality = 1.00: * HA GLN 27 + H GLN 27 OK 100 100 100 100 2.3-2.9 3.0=100 HA LYS 26 + H GLN 27 OK 61 71 95 91 2.6-3.6 3.6=58, 3.0/6263=42...(9) HA ALA 28 - H GLN 27 far 0 99 0 - 4.4-5.7 HA ALA 29 - H GLN 27 far 0 92 0 - 4.6-7.4 HA LEU 22 - H GLN 27 far 0 73 0 - 4.8-14.2 HA GLU 30 - H GLN 27 far 0 87 0 - 6.5-9.1 Violated in 0 structures by 0.00 A. Peak 6271 from nnoeabs.peaks (1.96, 8.39, 121.72 ppm; 2.66 A): 1 out of 2 assignments used, quality = 0.53: * HB2 GLN 27 + H GLN 27 OK 53 100 65 81 2.2-4.1 701=41, 1.8/710=39...(10) HB2 GLU 30 - H GLN 27 far 0 98 0 - 4.3-7.0 Violated in 19 structures by 0.60 A. Peak 6272 from nnoeabs.peaks (2.06, 8.39, 121.72 ppm; 3.58 A increased from 3.01 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 27 + H GLN 27 OK 100 100 100 100 3.0-4.1 710=100, 1.8/6271=94...(9) QE MET 11 - H GLN 27 far 0 83 0 - 9.0-31.5 Violated in 3 structures by 0.04 A. Peak 6273 from nnoeabs.peaks (2.35, 8.39, 121.72 ppm; 3.38 A): 2 out of 3 assignments used, quality = 0.99: * HG2 GLN 27 + H GLN 27 OK 92 100 95 97 1.8-4.6 3.0/6271=66, 3.0/710=50...(14) HG3 GLN 27 + H GLN 27 OK 82 99 85 97 1.9-4.8 3.0/6271=66, 3.0/710=50...(12) HG3 GLU 30 - H GLN 27 far 0 81 0 - 6.3-9.0 Violated in 2 structures by 0.04 A. Peak 6274 from nnoeabs.peaks (2.36, 8.39, 121.72 ppm; 3.38 A): 2 out of 3 assignments used, quality = 0.99: HG2 GLN 27 + H GLN 27 OK 92 99 95 97 1.8-4.6 3.0/6271=66, 3.0/710=50...(14) * HG3 GLN 27 + H GLN 27 OK 83 100 85 97 1.9-4.8 3.0/6271=66, 3.0/710=50...(12) HG3 GLU 30 - H GLN 27 far 0 65 0 - 6.3-9.0 Violated in 2 structures by 0.04 A. Peak 6277 from nnoeabs.peaks (8.33, 8.39, 121.72 ppm; 5.58 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 28 + H GLN 27 OK 100 100 100 100 2.1-4.4 4.6=100 H ALA 21 - H GLN 27 far 0 85 0 - 8.0-16.2 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 4 assignments used, quality = 1.00: * HB3 GLN 27 + HE21 GLN 27 OK 100 100 100 100 2.0-4.6 4.6=100 HB3 GLU 44 - HE21 GLN 68 far 6 56 10 - 7.3-9.0 QE MET 11 - HE21 GLN 27 far 0 83 0 - 8.2-33.5 HB2 LEU 62 - HE21 GLN 68 far 0 70 0 - 9.1-12.6 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 5 assignments used, quality = 1.00: * HG2 GLN 27 + HE21 GLN 27 OK 100 100 100 100 2.4-3.6 3.5=100 HG3 GLN 27 + HE21 GLN 27 OK 99 99 100 100 2.1-3.5 3.5=100 HG3 GLN 68 + HE21 GLN 68 OK 35 35 100 100 2.9-4.1 3.5=100 HG3 GLU 30 - HE21 GLN 27 far 8 81 10 - 3.8-12.4 HG2 GLU 44 - HE21 GLN 68 far 0 59 0 - 7.1-10.4 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 4 assignments used, quality = 1.00: * HG3 GLN 27 + HE21 GLN 27 OK 100 100 100 100 2.1-3.5 3.5=100 HG2 GLN 27 + HE21 GLN 27 OK 99 99 100 100 2.4-3.6 3.5=100 HG3 GLU 30 - HE21 GLN 27 far 7 65 10 - 3.8-12.4 HG2 GLU 44 - HE21 GLN 68 far 0 50 0 - 7.1-10.4 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 2 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 - 7.5-12.1 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): 1 out of 4 assignments used, quality = 1.00: * H GLN 27 + HE22 GLN 27 OK 100 100 100 100 3.2-6.7 6.8=100 H LYS 24 - HE22 GLN 27 poor 17 85 20 - 4.1-15.2 H LYS 26 - HE22 GLN 27 poor 6 87 35 21 5.9-9.7 2.9/6288=15, ~720=2, ~729=2 H ASP 35 - HE22 GLN 27 far 0 100 0 - 8.6-13.3 Violated in 0 structures by 0.00 A. Peak 6288 from nnoeabs.peaks (4.24, 7.54, 112.56 ppm; 6.80 A): 2 out of 7 assignments used, quality = 1.00: * HA GLN 27 + HE22 GLN 27 OK 100 100 100 100 4.5-6.6 5.9=100 HA LYS 26 + HE22 GLN 27 OK 30 71 60 70 3.2-8.8 3.6/6287=67, 2.9/6287=5 HA ALA 28 - HE22 GLN 27 far 15 99 15 - 6.2-10.0 HA ALA 29 - HE22 GLN 27 poor 11 92 35 33 5.5-10.6 10736/3.5=21, 10736/3.5=13 HA GLU 30 - HE22 GLN 27 poor 8 87 30 32 5.0-13.5 ~730=6, ~706=6, ~721=6...(8) HA LYS 19 - HE22 GLN 27 far 8 76 10 - 5.4-21.2 HA LEU 22 - HE22 GLN 27 far 7 73 10 - 4.6-19.1 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 2 assignments used, quality = 1.00: * HB3 GLN 27 + HE22 GLN 27 OK 100 100 100 100 3.5-5.3 4.6=100 QE MET 11 - HE22 GLN 27 far 0 83 0 - 7.9-33.7 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 3 assignments used, quality = 1.00: * HG2 GLN 27 + HE22 GLN 27 OK 100 100 100 100 3.5-4.1 3.5=100 HG3 GLN 27 + HE22 GLN 27 OK 99 99 100 100 3.4-4.1 3.5=100 HG3 GLU 30 - HE22 GLN 27 far 4 81 5 - 4.1-13.5 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 3 assignments used, quality = 1.00: * HG3 GLN 27 + HE22 GLN 27 OK 100 100 100 100 3.4-4.1 3.5=100 HG2 GLN 27 + HE22 GLN 27 OK 99 99 100 100 3.5-4.1 3.5=100 HG3 GLU 30 - HE22 GLN 27 far 3 65 5 - 4.1-13.5 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 1 assignment used, quality = 1.00: * HE21 GLN 27 + HE22 GLN 27 OK 100 100 100 100 1.7-1.7 1.7=100 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 4 assignments used, quality = 1.00: * H GLN 27 + H ALA 28 OK 100 100 100 100 2.1-4.4 4.6=100 H LYS 26 + H ALA 28 OK 25 87 30 95 4.6-7.3 4.0/10770=75...(5) H LYS 24 - H ALA 28 far 4 85 5 - 4.7-13.3 H ASP 35 - H ALA 28 far 0 100 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 6296 from nnoeabs.peaks (4.24, 8.33, 125.44 ppm; 3.08 A increased from 2.59 A): 2 out of 7 assignments used, quality = 1.00: HA ALA 28 + H ALA 28 OK 99 99 100 100 2.3-2.9 3.0=100 * HA GLN 27 + H ALA 28 OK 95 100 100 95 2.8-3.6 3.6=64, 3.0/6298=40...(14) HA LYS 26 - H ALA 28 far 11 71 15 - 3.3-6.7 HA LEU 22 - H ALA 28 far 0 73 0 - 3.9-17.7 HA ALA 29 - H ALA 28 far 0 92 0 - 4.0-6.0 HA GLU 30 - H ALA 28 far 0 87 0 - 5.1-7.5 HA LYS 19 - H ALA 28 far 0 76 0 - 9.9-21.7 Violated in 0 structures by 0.00 A. Peak 6297 from nnoeabs.peaks (1.96, 8.33, 125.44 ppm; 3.75 A increased from 3.33 A): 2 out of 2 assignments used, quality = 0.98: * HB2 GLN 27 + H ALA 28 OK 90 100 90 100 3.1-4.6 1.8/6298=77, 4.6=53...(20) HB2 GLU 30 + H ALA 28 OK 81 98 85 98 3.0-5.1 10791/6304=61, 709=26...(23) Violated in 2 structures by 0.02 A. Peak 6298 from nnoeabs.peaks (2.06, 8.33, 125.44 ppm; 3.61 A increased from 3.21 A): 1 out of 1 assignment used, quality = 0.99: * HB3 GLN 27 + H ALA 28 OK 99 100 100 99 1.6-3.9 718=67, 10762/6304=43...(22) Violated in 3 structures by 0.03 A. Peak 6299 from nnoeabs.peaks (2.35, 8.33, 125.44 ppm; 4.43 A): 2 out of 3 assignments used, quality = 0.99: * HG2 GLN 27 + H ALA 28 OK 95 100 95 100 1.9-5.1 3.0/6298=78, 4.9=76...(21) HG3 GLN 27 + H ALA 28 OK 89 99 90 100 1.9-5.4 3.0/6298=78, 4.9=76...(23) HG3 GLU 30 - H ALA 28 poor 16 81 20 - 4.2-6.4 Violated in 2 structures by 0.02 A. Peak 6300 from nnoeabs.peaks (2.36, 8.33, 125.44 ppm; 4.43 A): 2 out of 3 assignments used, quality = 0.99: HG2 GLN 27 + H ALA 28 OK 94 99 95 100 1.9-5.1 3.0/6298=78, 4.9=76...(21) * HG3 GLN 27 + H ALA 28 OK 90 100 90 100 1.9-5.4 3.0/6298=78, 4.9=76...(23) HG3 GLU 30 - H ALA 28 poor 13 65 20 - 4.2-6.4 Violated in 2 structures by 0.02 A. Peak 6303 from nnoeabs.peaks (4.24, 8.33, 125.44 ppm; 3.08 A increased from 2.59 A): 2 out of 5 assignments used, quality = 1.00: * HA ALA 28 + H ALA 28 OK 100 100 100 100 2.3-2.9 3.0=100 HA GLN 27 + H ALA 28 OK 94 99 100 95 2.8-3.6 3.6=64, 3.0/6298=40...(14) HA ALA 29 - H ALA 28 far 0 98 0 - 4.0-6.0 HA GLU 30 - H ALA 28 far 0 96 0 - 5.1-7.5 HA LYS 19 - H ALA 28 far 0 60 0 - 9.9-21.7 Violated in 0 structures by 0.00 A. Peak 6304 from nnoeabs.peaks (1.38, 8.33, 125.44 ppm; 2.66 A increased from 2.50 A): 1 out of 5 assignments used, quality = 0.90: * QB ALA 28 + H ALA 28 OK 90 100 100 90 2.1-3.1 2.9=76, 10762/6298=17...(11) QB ALA 29 - H ALA 28 far 0 100 0 - 4.3-5.9 HG3 LYS 26 - H ALA 28 far 0 100 0 - 4.7-7.8 HG2 LYS 24 - H ALA 28 far 0 100 0 - 7.9-14.2 HG3 LYS 31 - H ALA 28 far 0 99 0 - 8.7-10.3 Violated in 3 structures by 0.04 A. Peak 6305 from nnoeabs.peaks (8.25, 8.33, 125.44 ppm; 5.58 A): 3 out of 5 assignments used, quality = 1.00: * H ALA 29 + H ALA 28 OK 100 100 100 100 1.8-4.6 4.6=100 H GLU 30 + H ALA 28 OK 87 93 100 93 2.5-5.4 6316/6304=49...(11) H LYS 31 + H ALA 28 OK 60 92 95 69 4.3-6.3 4.6/6297=36, 6307=26...(7) H ARG 23 - H ALA 28 far 5 100 5 - 6.0-15.8 H SER 33 - H ALA 28 far 0 90 0 - 8.4-10.0 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 3 assignments used, quality = 1.00: * H ALA 28 + H ALA 29 OK 100 100 100 100 1.8-4.6 4.6=100 H ALA 28 + H LYS 31 OK 35 51 95 72 4.3-6.3 6297/4.6=36, 6305=24...(8) H ALA 21 - H LYS 31 far 0 37 0 - 9.0-21.9 Violated in 0 structures by 0.00 A. Peak 6308 from nnoeabs.peaks (4.24, 8.25, 122.97 ppm; 2.79 A): 2 out of 9 assignments used, quality = 0.97: HA ALA 29 + H ALA 29 OK 90 98 100 91 2.3-2.9 2.9=86, 6315/4.6=9...(10) * HA ALA 28 + H ALA 29 OK 68 100 100 68 2.1-3.2 3.6=48, 2.1/6309=21...(8) HA GLN 27 - H ALA 29 far 15 99 15 - 3.2-7.0 HA GLU 30 - H LYS 31 far 0 45 0 - 3.5-3.6 HA ALA 29 - H LYS 31 far 0 47 0 - 4.6-5.1 HA GLU 30 - H ALA 29 far 0 96 0 - 4.8-5.4 HA GLN 27 - H LYS 31 far 0 49 0 - 5.6-9.0 HA ALA 28 - H LYS 31 far 0 51 0 - 6.2-7.6 HA LYS 19 - H LYS 31 far 0 24 0 - 8.2-23.5 Violated in 0 structures by 0.00 A. Peak 6309 from nnoeabs.peaks (1.38, 8.25, 122.97 ppm; 2.99 A increased from 2.52 A): 2 out of 12 assignments used, quality = 1.00: QB ALA 29 + H ALA 29 OK 100 100 100 100 2.1-3.0 2.9=100 * QB ALA 28 + H ALA 29 OK 65 100 75 87 1.9-3.7 3.7=52, 2.1/6308=28...(11) QB ALA 28 - H LYS 31 far 0 51 0 - 4.2-5.7 HG3 LYS 31 - H LYS 31 far 0 49 0 - 4.4-4.8 HG3 LYS 26 - H ALA 29 far 0 100 0 - 4.5-9.0 HG3 LYS 26 - H LYS 31 far 0 50 0 - 4.6-10.8 QB ALA 29 - H LYS 31 far 0 50 0 - 5.0-5.7 QB ALA 12 - H LYS 31 far 0 31 0 - 7.7-32.8 QB ALA 16 - H LYS 31 far 0 35 0 - 8.5-24.5 HG3 LYS 31 - H ALA 29 far 0 99 0 - 8.5-10.2 HG2 LYS 24 - H LYS 31 far 0 50 0 - 8.8-18.0 HG2 LYS 19 - H LYS 31 far 0 37 0 - 9.1-23.3 Violated in 0 structures by 0.00 A. Peak 6310 from nnoeabs.peaks (4.23, 8.25, 122.97 ppm; 2.81 A increased from 2.50 A): 2 out of 10 assignments used, quality = 0.98: * HA ALA 29 + H ALA 29 OK 93 100 100 93 2.3-2.9 2.9=88, 6315/4.6=9...(10) HA ALA 28 + H ALA 29 OK 68 98 100 69 2.1-3.2 3.6=49, 2.1/6309=22...(8) HA GLN 27 - H ALA 29 far 14 92 15 - 3.2-7.0 HA GLU 30 - H LYS 31 far 0 50 0 - 3.5-3.6 HA ALA 29 - H LYS 31 far 0 51 0 - 4.6-5.1 HA GLU 30 - H ALA 29 far 0 100 0 - 4.8-5.4 HB THR 25 - H ALA 29 far 0 65 0 - 5.3-12.7 HA GLN 27 - H LYS 31 far 0 42 0 - 5.6-9.0 HA ALA 28 - H LYS 31 far 0 47 0 - 6.2-7.6 HB THR 25 - H LYS 31 far 0 27 0 - 7.1-15.1 Violated in 0 structures by 0.00 A. Peak 6311 from nnoeabs.peaks (1.38, 8.25, 122.97 ppm; 2.99 A increased from 2.52 A): 2 out of 12 assignments used, quality = 1.00: * QB ALA 29 + H ALA 29 OK 100 100 100 100 2.1-3.0 2.9=100 QB ALA 28 + H ALA 29 OK 65 100 75 87 1.9-3.7 3.7=52, 2.1/6308=28...(11) QB ALA 28 - H LYS 31 far 0 50 0 - 4.2-5.7 HG3 LYS 31 - H LYS 31 far 0 47 0 - 4.4-4.8 HG3 LYS 26 - H ALA 29 far 0 100 0 - 4.5-9.0 HG3 LYS 26 - H LYS 31 far 0 51 0 - 4.6-10.8 QB ALA 29 - H LYS 31 far 0 51 0 - 5.0-5.7 QB ALA 12 - H LYS 31 far 0 35 0 - 7.7-32.8 QB ALA 16 - H LYS 31 far 0 31 0 - 8.5-24.5 HG3 LYS 31 - H ALA 29 far 0 97 0 - 8.5-10.2 HG2 LYS 24 - H LYS 31 far 0 51 0 - 8.8-18.0 HG2 LYS 19 - H LYS 31 far 0 41 0 - 9.1-23.3 Violated in 0 structures by 0.00 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; 2.91 A increased from 2.73 A): 2 out of 10 assignments used, quality = 1.00: HA GLU 30 + H GLU 30 OK 99 100 100 99 2.5-2.9 3.0=96, 3.0/6318=42...(9) * HA ALA 29 + H GLU 30 OK 79 100 95 83 2.9-3.5 3.6=54, 2.1/6316=25...(14) HA ALA 28 - H GLU 30 far 0 98 0 - 3.8-4.3 HA GLN 27 - H GLU 30 far 0 92 0 - 5.0-7.2 HA SER 124 - H LEU 123 far 0 95 0 - 5.4-5.6 HB THR 25 - H GLU 30 far 0 65 0 - 7.4-13.5 HA SER 99 - H LEU 123 far 0 96 0 - 7.7-9.1 HA SER 124 - H ASP 131 far 0 87 0 - 8.6-9.2 HA SER 51 - H LEU 123 far 0 95 0 - 9.3-10.9 HA ALA 88 - H ASP 131 far 0 62 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 6316 from nnoeabs.peaks (1.38, 8.26, 119.71 ppm; 3.04 A increased from 2.86 A): 2 out of 9 assignments used, quality = 0.95: QB ALA 28 + H GLU 30 OK 84 100 100 84 2.4-3.3 10791/6318=38, 752=23...(11) * QB ALA 29 + H GLU 30 OK 68 100 85 81 2.7-3.7 3.7=56, 2.1/6315=29...(9) HB2 LEU 96 - H LEU 123 far 0 100 0 - 5.6-6.4 HG3 LYS 26 - H GLU 30 far 0 100 0 - 6.1-9.5 HG3 LYS 31 - H GLU 30 far 0 97 0 - 7.3-8.0 HG LEU 96 - H LEU 123 far 0 88 0 - 7.9-8.7 HB2 LEU 42 - H ASP 131 far 0 94 0 - 8.7-9.6 HB3 LEU 100 - H LEU 123 far 0 100 0 - 9.2-10.6 HB2 LEU 96 - H ASP 131 far 0 94 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 6317 from nnoeabs.peaks (4.22, 8.26, 119.71 ppm; 2.91 A increased from 2.73 A): 3 out of 11 assignments used, quality = 1.00: * HA GLU 30 + H GLU 30 OK 99 100 100 99 2.5-2.9 3.0=96, 3.0/6318=42...(9) HA ALA 29 + H GLU 30 OK 79 100 95 83 2.9-3.5 3.6=54, 2.1/6316=25...(14) HA GLU 128 + H ASP 131 OK 24 52 75 61 3.3-3.5 3.6/7896=18...(9) HA ALA 28 - H GLU 30 far 0 96 0 - 3.8-4.3 HA GLN 27 - H GLU 30 far 0 87 0 - 5.0-7.2 HA SER 124 - H LEU 123 far 0 91 0 - 5.4-5.6 HB THR 25 - H GLU 30 far 0 73 0 - 7.4-13.5 HA SER 99 - H LEU 123 far 0 98 0 - 7.7-9.1 HA SER 124 - H ASP 131 far 0 82 0 - 8.6-9.2 HA SER 51 - H LEU 123 far 0 97 0 - 9.3-10.9 HA ALA 88 - H ASP 131 far 0 69 0 - 10.0-10.8 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 5 assignments used, quality = 0.95: * HB2 GLU 30 + H GLU 30 OK 95 100 100 95 2.1-2.6 1.8/6319=41, 4.0=34...(16) HG LEU 53 - H LEU 123 poor 11 82 25 56 2.6-5.3 2.1/3907=20...(9) HB2 GLN 27 - H GLU 30 far 0 98 0 - 4.6-8.4 HB3 LYS 95 - H LEU 123 far 0 89 0 - 8.2-9.6 HB2 LYS 95 - H LEU 123 far 0 84 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 6319 from nnoeabs.peaks (2.02, 8.26, 119.71 ppm; 3.69 A increased from 3.11 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLU 30 + H GLU 30 OK 100 100 100 100 2.9-3.7 1.8/6318=83, 4.0=78...(14) HB3 LEU 53 - H LEU 123 far 0 67 0 - 4.6-6.5 HB ILE 129 - H ASP 131 far 0 79 0 - 4.7-5.1 HB2 GLN 134 - H ASP 131 far 0 94 0 - 5.4-7.0 HG3 ARG 135 - H ASP 131 far 0 85 0 - 6.2-7.8 HB3 PRO 117 - H LEU 123 far 0 96 0 - 8.6-9.5 QE MET 11 - H LEU 123 far 0 80 0 - 8.9-41.3 QE MET 11 - H ASP 131 far 0 71 0 - 9.0-42.9 HB ILE 129 - H LEU 123 far 0 88 0 - 9.7-10.9 Violated in 1 structures by 0.00 A. Peak 6320 from nnoeabs.peaks (2.29, 8.26, 119.71 ppm; 3.88 A increased from 3.65 A): 1 out of 2 assignments used, quality = 0.95: * HG2 GLU 30 + H GLU 30 OK 95 100 95 100 3.0-4.6 1.8/6321=73, 3.0/6318=69...(13) HB VAL 132 - H ASP 131 far 0 92 0 - 5.2-5.5 Violated in 1 structures by 0.03 A. Peak 6321 from nnoeabs.peaks (2.33, 8.26, 119.71 ppm; 3.65 A increased from 3.44 A): 1 out of 8 assignments used, quality = 1.00: * HG3 GLU 30 + H GLU 30 OK 100 100 100 100 3.0-4.1 1.8/6320=67, 3.0/6318=63...(11) HG3 GLN 27 - H GLU 30 poor 5 65 40 21 3.1-9.0 10724/6316=8, 4.9/6305=7...(5) HG2 GLN 27 - H GLU 30 poor 5 81 25 25 3.5-7.6 10724/6316=8, 4.9/6305=7...(6) HB3 GLN 134 - H ASP 131 far 0 94 0 - 4.9-7.0 HG2 GLN 127 - H ASP 131 far 0 66 0 - 5.8-6.8 HG2 GLN 127 - H LEU 123 far 0 75 0 - 6.9-8.4 HB2 PRO 117 - H LEU 123 far 0 56 0 - 9.7-10.5 HG2 GLU 102 - H LEU 123 far 0 64 0 - 10.0-12.3 Violated in 1 structures by 0.02 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; 2.81 A increased from 2.50 A): 2 out of 10 assignments used, quality = 0.62: HA ALA 29 + H ALA 29 OK 47 50 100 93 2.3-2.9 2.9=88, 10734/902=10...(9) HA ALA 28 + H ALA 29 OK 29 45 100 65 2.1-3.2 3.6=49, 2.1/6334=23...(6) HA GLN 27 - H ALA 29 far 6 38 15 - 3.2-7.0 ! HA GLU 30 - H LYS 31 far 0 100 0 - 3.5-3.6 HA ALA 29 - H LYS 31 far 0 100 0 - 4.6-5.1 HA GLU 30 - H ALA 29 far 0 51 0 - 4.8-5.4 HB THR 25 - H ALA 29 far 0 31 0 - 5.3-12.7 HA GLN 27 - H LYS 31 far 0 87 0 - 5.6-9.0 HA ALA 28 - H LYS 31 far 0 96 0 - 6.2-7.6 HB THR 25 - H LYS 31 far 0 73 0 - 7.1-15.1 Violated in 0 structures by 0.00 A. Peak 6326 from nnoeabs.peaks (1.96, 8.23, 122.66 ppm; 3.49 A): 1 out of 4 assignments used, quality = 0.98: * HB2 GLU 30 + H LYS 31 OK 98 100 100 98 2.2-2.7 1.8/6327=75, 766=51...(13) HB2 GLN 27 - H LYS 31 far 0 98 0 - 4.4-8.7 HB2 GLU 30 - H ALA 29 far 0 51 0 - 4.4-4.9 HB2 GLN 27 - H ALA 29 far 0 47 0 - 4.9-7.6 Violated in 0 structures by 0.00 A. Peak 6327 from nnoeabs.peaks (2.02, 8.23, 122.66 ppm; 3.39 A): 1 out of 4 assignments used, quality = 0.96: * HB3 GLU 30 + H LYS 31 OK 96 100 100 96 1.9-3.7 1.8/6326=68, 773=50...(10) HB3 GLU 30 - H ALA 29 far 0 51 0 - 5.5-6.4 QE MET 11 - H LYS 31 far 0 81 0 - 9.5-34.7 HB VAL 20 - H LYS 31 far 0 87 0 - 9.6-22.0 Violated in 1 structures by 0.01 A. Peak 6328 from nnoeabs.peaks (2.29, 8.23, 122.66 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 30 + H LYS 31 OK 100 100 100 100 3.6-4.5 3.0/6327=83, 3.0/6326=81...(9) HG2 GLU 30 - H ALA 29 far 0 51 0 - 5.4-7.1 Violated in 0 structures by 0.00 A. Peak 6329 from nnoeabs.peaks (2.33, 8.23, 122.66 ppm; 4.56 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 30 + H LYS 31 OK 100 100 100 100 2.1-4.6 3.0/6327=84, 3.0/6326=82...(10) HG2 GLN 27 - H LYS 31 poor 14 81 60 30 3.8-8.7 10765/6333=10...(7) HG2 GLN 27 - H ALA 29 poor 14 35 40 - 2.3-6.6 HG3 GLN 27 - H ALA 29 poor 12 27 45 - 2.6-7.8 HG3 GLN 27 - H LYS 31 poor 10 65 60 25 2.2-9.7 4.9/6305=7, 10765/6333=6...(6) HG3 GLU 30 - H ALA 29 far 8 51 15 - 4.9-6.5 Violated in 4 structures by 0.01 A. Peak 6330 from nnoeabs.peaks (4.28, 8.23, 122.66 ppm; 3.22 A): 1 out of 13 assignments used, quality = 1.00: * HA LYS 31 + H LYS 31 OK 100 100 100 100 2.9-2.9 3.0=100 HA LYS 26 - H LYS 31 far 5 99 5 - 2.8-10.0 HA LYS 26 - H ALA 29 far 2 48 5 - 3.8-9.7 HA ARG 23 - H LYS 31 far 0 98 0 - 5.2-15.9 HA THR 25 - H ALA 29 far 0 43 0 - 5.5-12.2 HA LEU 22 - H ALA 29 far 0 47 0 - 5.8-20.3 HA THR 25 - H LYS 31 far 0 93 0 - 6.9-13.9 HA LYS 31 - H ALA 29 far 0 51 0 - 6.9-8.1 HA ARG 23 - H ALA 29 far 0 47 0 - 7.9-16.1 HA LYS 19 - H LYS 31 far 0 97 0 - 8.2-23.5 HA LYS 36 - H ALA 29 far 0 50 0 - 9.1-12.2 HA LEU 22 - H LYS 31 far 0 98 0 - 9.1-20.8 HA ALA 21 - H ALA 29 far 0 44 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 6331 from nnoeabs.peaks (1.74, 8.23, 122.66 ppm; 2.95 A increased from 2.78 A): 1 out of 9 assignments used, quality = 0.99: * HB2 LYS 31 + H LYS 31 OK 99 100 100 99 2.6-2.8 799=89, 1.8/6332=69...(49) HB2 LYS 26 - H LYS 31 far 15 99 15 - 2.8-9.9 HB2 LYS 26 - H ALA 29 far 0 49 0 - 3.7-9.5 HB2 LYS 31 - H ALA 29 far 0 51 0 - 6.7-8.6 HB2 ARG 23 - H LYS 31 far 0 96 0 - 7.0-18.0 HB2 LYS 24 - H LYS 31 far 0 100 0 - 8.3-17.4 HB2 LYS 19 - H LYS 31 far 0 99 0 - 8.7-24.7 HB2 LYS 24 - H ALA 29 far 0 50 0 - 9.1-15.1 HB2 ARG 23 - H ALA 29 far 0 45 0 - 9.9-18.1 Violated in 0 structures by 0.00 A. Peak 6332 from nnoeabs.peaks (1.81, 8.23, 122.66 ppm; 2.87 A): 1 out of 12 assignments used, quality = 0.97: * HB3 LYS 31 + H LYS 31 OK 97 100 100 97 2.5-2.9 810=75, 1.8/6331=64...(46) HB3 LYS 26 - H LYS 31 far 15 99 15 - 2.4-8.3 HB3 LYS 26 - H ALA 29 poor 12 49 25 - 2.9-7.9 HB ILE 32 - H ALA 29 far 0 49 0 - 3.7-5.4 HB ILE 32 - H LYS 31 far 0 99 0 - 4.8-5.1 HB3 LYS 19 - H LYS 31 far 0 100 0 - 7.1-23.0 HB3 LYS 31 - H ALA 29 far 0 51 0 - 7.2-8.7 HB3 ARG 23 - H LYS 31 far 0 97 0 - 8.0-18.9 HB2 LYS 36 - H ALA 29 far 0 50 0 - 8.5-11.0 HB2 LYS 36 - H LYS 31 far 0 100 0 - 9.0-10.6 HB3 LYS 24 - H ALA 29 far 0 50 0 - 9.5-15.7 HB3 LYS 24 - H LYS 31 far 0 100 0 - 9.6-17.5 Violated in 2 structures by 0.00 A. Peak 6333 from nnoeabs.peaks (1.44, 8.23, 122.66 ppm; 3.95 A): 2 out of 10 assignments used, quality = 0.98: HG13 ILE 32 + H LYS 31 OK 96 100 100 96 3.2-4.3 6345/4.7=45, 926=44...(13) HG13 ILE 32 + H ALA 29 OK 50 50 100 100 2.0-4.1 926=40, ~11488=39...(31) ! HG2 LYS 31 - H LYS 31 far 15 100 15 - 4.4-4.9 HG2 LYS 26 - H LYS 31 far 15 98 15 - 3.3-10.4 HG2 LYS 26 - H ALA 29 far 5 47 10 - 2.7-8.7 QB ALA 34 - H ALA 29 far 0 32 0 - 7.6-9.7 HG3 LYS 19 - H LYS 31 far 0 100 0 - 8.4-23.5 QB ALA 34 - H LYS 31 far 0 76 0 - 8.4-9.2 HG2 LYS 31 - H ALA 29 far 0 51 0 - 8.6-10.7 HG3 LYS 24 - H LYS 31 far 0 100 0 - 9.7-18.6 Violated in 0 structures by 0.00 A. Peak 6334 from nnoeabs.peaks (1.39, 8.23, 122.66 ppm; 3.34 A): 2 out of 13 assignments used, quality = 0.70: QB ALA 29 + H ALA 29 OK 47 47 100 100 2.1-3.0 2.9=100 QB ALA 28 + H ALA 29 OK 44 49 100 92 1.9-3.7 3.7=73, 6304/4.6=33...(9) QB ALA 28 - H LYS 31 far 0 99 0 - 4.2-5.7 ! HG3 LYS 31 - H LYS 31 far 0 100 0 - 4.4-4.8 HG3 LYS 26 - H ALA 29 far 0 47 0 - 4.5-9.0 HG3 LYS 26 - H LYS 31 far 0 98 0 - 4.6-10.8 QB ALA 29 - H LYS 31 far 0 97 0 - 5.0-5.7 QB ALA 34 - H ALA 29 far 0 25 0 - 7.6-9.7 QB ALA 34 - H LYS 31 far 0 63 0 - 8.4-9.2 QB ALA 16 - H LYS 31 far 0 93 0 - 8.5-24.5 HG3 LYS 31 - H ALA 29 far 0 51 0 - 8.5-10.2 HG2 LYS 24 - H LYS 31 far 0 97 0 - 8.8-18.0 HG2 LYS 19 - H LYS 31 far 0 68 0 - 9.1-23.3 Violated in 0 structures by 0.00 A. Peak 6335 from nnoeabs.peaks (1.66, 8.23, 122.66 ppm; 5.30 A increased from 4.71 A): 3 out of 11 assignments used, quality = 1.00: * HD2 LYS 31 + H LYS 31 OK 100 100 100 100 4.2-5.8 3.5/6332=96, 3.5/6331=95...(66) HD3 LYS 31 + H LYS 31 OK 80 100 80 100 4.5-6.0 3.5/6332=96, 3.5/6331=95...(66) HD2 LYS 26 + H ALA 29 OK 25 51 75 67 3.5-6.6 10771/4.6=21...(18) HD3 LYS 26 - H LYS 31 poor 20 100 20 - 2.8-8.6 HD3 LYS 26 - H ALA 29 poor 20 50 60 65 3.3-6.7 10771/4.6=19...(22) HD2 LYS 26 - H LYS 31 poor 9 100 25 34 3.1-9.0 10842/918=10, 6348/4.7=9...(7) HD2 LYS 31 - H ALA 29 far 0 51 0 - 8.5-10.9 HD3 LYS 31 - H ALA 29 far 0 51 0 - 8.7-11.9 HD2 LYS 36 - H LYS 31 far 0 98 0 - 9.3-9.8 HD2 LYS 36 - H ALA 29 far 0 47 0 - 9.8-11.8 HD3 LYS 19 - H LYS 31 far 0 96 0 - 9.8-25.4 Violated in 0 structures by 0.00 A. Peak 6336 from nnoeabs.peaks (1.66, 8.23, 122.66 ppm; 5.30 A increased from 4.71 A): 3 out of 11 assignments used, quality = 1.00: HD2 LYS 31 + H LYS 31 OK 100 100 100 100 4.2-5.8 3.5/6332=96, 3.5/6331=95...(66) * HD3 LYS 31 + H LYS 31 OK 80 100 80 100 4.5-6.0 3.5/6332=96, 3.5/6331=95...(66) HD2 LYS 26 + H ALA 29 OK 25 51 75 66 3.5-6.6 10771/4.6=20...(18) HD3 LYS 26 - H LYS 31 poor 20 100 20 - 2.8-8.6 HD3 LYS 26 - H ALA 29 poor 20 50 60 65 3.3-6.7 10771/4.6=19...(22) HD2 LYS 26 - H LYS 31 poor 8 100 25 34 3.1-9.0 10842/918=10, 6348/4.7=9...(7) HD2 LYS 31 - H ALA 29 far 0 51 0 - 8.5-10.9 HD3 LYS 31 - H ALA 29 far 0 51 0 - 8.7-11.9 HD2 LYS 36 - H LYS 31 far 0 97 0 - 9.3-9.8 HD2 LYS 36 - H ALA 29 far 0 47 0 - 9.8-11.8 HD3 LYS 19 - H LYS 31 far 0 97 0 - 9.8-25.4 Violated in 0 structures by 0.00 A. Peak 6337 from nnoeabs.peaks (2.96, 8.23, 122.66 ppm; 6.80 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 31 + H LYS 31 OK 100 100 100 100 4.1-6.9 4.8/6332=98, 4.8/6331=98...(50) HE3 LYS 31 + H LYS 31 OK 100 100 100 100 4.0-7.0 4.8/6332=98, 4.8/6331=98...(50) HE2 LYS 26 + H ALA 29 OK 33 50 95 69 4.5-8.0 9008/934=23...(22) HE3 LYS 26 + H ALA 29 OK 21 50 65 64 5.4-8.6 9008/934=22, 3.0/6335=10...(23) HE2 LYS 26 - H LYS 31 poor 20 100 20 - 5.2-10.3 HE3 LYS 26 - H LYS 31 poor 7 100 25 28 5.4-11.0 9008/10802=18...(4) HE2 LYS 31 - H ALA 29 far 0 51 0 - 8.7-12.9 HE3 LYS 31 - H ALA 29 far 0 50 0 - 9.0-12.5 HE3 LYS 36 - H LYS 31 far 0 100 0 - 9.6-11.8 HE2 LYS 36 - H LYS 31 far 0 99 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 6338 from nnoeabs.peaks (2.97, 8.23, 122.66 ppm; 6.80 A): 4 out of 10 assignments used, quality = 1.00: * HE3 LYS 31 + H LYS 31 OK 100 100 100 100 4.0-7.0 4.8/6332=98, 4.8/6331=98...(50) HE2 LYS 31 + H LYS 31 OK 100 100 100 100 4.1-6.9 4.8/6332=98, 4.8/6331=98...(50) HE2 LYS 26 + H ALA 29 OK 33 51 95 68 4.5-8.0 9008/934=23...(22) HE3 LYS 26 + H ALA 29 OK 21 51 65 64 5.4-8.6 9008/934=22, 3.0/6335=10...(23) HE3 LYS 26 - H LYS 31 poor 7 100 25 27 5.4-11.0 9008/10802=18...(4) HE2 LYS 26 - H LYS 31 poor 6 100 20 29 5.2-10.3 9008/10802=19...(3) HE2 LYS 31 - H ALA 29 far 0 50 0 - 8.7-12.9 HE3 LYS 31 - H ALA 29 far 0 51 0 - 9.0-12.5 HE3 LYS 36 - H LYS 31 far 0 99 0 - 9.6-11.8 HE2 LYS 36 - H LYS 31 far 0 97 0 - 9.8-11.8 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 4 assignments used, quality = 1.00: * H ILE 32 + H LYS 31 OK 100 100 100 100 2.5-2.8 4.7=100 H ILE 32 + H ALA 29 OK 51 51 100 100 4.1-5.7 10819/2.9=83, ~10820=51...(14) H LEU 22 - H LYS 31 far 0 99 0 - 8.4-19.8 H LEU 22 - H ALA 29 far 0 48 0 - 8.6-20.7 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 5 assignments used, quality = 1.00: * H LYS 31 + H ILE 32 OK 100 100 100 100 2.5-2.8 4.7=100 H SER 33 + H ILE 32 OK 100 100 100 100 4.6-4.6 4.6=100 H ALA 29 + H ILE 32 OK 92 92 100 100 4.1-5.7 2.9/10819=83, ~10820=51...(14) H GLU 30 + H ILE 32 OK 60 60 100 99 3.5-4.2 3.6/10819=79...(9) H ARG 23 - H ILE 32 far 0 96 0 - 7.2-18.2 Violated in 0 structures by 0.00 A. Peak 6342 from nnoeabs.peaks (4.28, 8.14, 122.30 ppm; 3.13 A increased from 2.50 A): 1 out of 7 assignments used, quality = 0.96: * HA LYS 31 + H ILE 32 OK 96 100 100 96 2.9-3.2 798=88, 3.0/809=35...(9) HA LYS 26 - H ILE 32 far 0 99 0 - 4.6-9.8 HA ARG 23 - H ILE 32 far 0 98 0 - 5.6-15.9 HA THR 25 - H ILE 32 far 0 93 0 - 8.0-12.7 HA LYS 36 - H ILE 32 far 0 100 0 - 8.3-9.6 HA LEU 22 - H ILE 32 far 0 98 0 - 9.6-20.9 HA LYS 19 - H ILE 32 far 0 97 0 - 9.9-24.1 Violated in 1 structures by 0.00 A. Peak 6343 from nnoeabs.peaks (1.74, 8.14, 122.30 ppm; 4.18 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 31 + H ILE 32 OK 100 100 100 100 3.8-4.1 809=100, 3.0/6342=79...(10) HB2 LYS 26 - H ILE 32 far 5 99 5 - 4.5-8.7 HB2 ARG 23 - H ILE 32 far 0 96 0 - 7.2-17.1 HB2 LYS 24 - H ILE 32 far 0 100 0 - 9.3-16.5 Violated in 0 structures by 0.00 A. Peak 6344 from nnoeabs.peaks (1.81, 8.14, 122.30 ppm; 2.83 A): 1 out of 6 assignments used, quality = 0.99: HB ILE 32 + H ILE 32 OK 99 99 100 100 2.3-2.6 895=77, 3.0/6351=42...(27) HB3 LYS 26 - H ILE 32 far 5 99 5 - 3.1-7.3 ! HB3 LYS 31 - H ILE 32 far 0 100 0 - 4.3-4.5 HB2 LYS 36 - H ILE 32 far 0 100 0 - 6.4-8.2 HB3 ARG 23 - H ILE 32 far 0 97 0 - 8.0-17.2 HB3 LYS 19 - H ILE 32 far 0 100 0 - 8.5-23.5 Violated in 0 structures by 0.00 A. Peak 6345 from nnoeabs.peaks (1.44, 8.14, 122.30 ppm; 3.26 A): 1 out of 6 assignments used, quality = 1.00: HG13 ILE 32 + H ILE 32 OK 100 100 100 100 2.2-2.7 919=96, 1.8/6354=70...(25) HG2 LYS 26 - H ILE 32 far 0 98 0 - 4.8-8.7 ! HG2 LYS 31 - H ILE 32 far 0 100 0 - 4.8-5.8 QB ALA 34 - H ILE 32 far 0 76 0 - 6.7-7.4 HG3 LYS 36 - H ILE 32 far 0 71 0 - 8.5-9.7 HG3 LYS 19 - H ILE 32 far 0 100 0 - 9.2-23.8 Violated in 0 structures by 0.00 A. Peak 6346 from nnoeabs.peaks (1.39, 8.14, 122.30 ppm; 4.88 A): 2 out of 9 assignments used, quality = 0.99: QB ALA 29 + H ILE 32 OK 97 97 100 100 3.8-4.4 10790/6344=87...(13) * HG3 LYS 31 + H ILE 32 OK 75 100 75 100 4.6-5.9 3.8/6342=82, 3.0/809=80...(10) QB ALA 28 - H ILE 32 far 5 99 5 - 5.2-6.4 HG3 LYS 26 - H ILE 32 far 0 98 0 - 5.5-9.3 QB ALA 34 - H ILE 32 far 0 63 0 - 6.7-7.4 HG2 LYS 36 - H ILE 32 far 0 97 0 - 9.1-9.9 QB ALA 16 - H ILE 32 far 0 93 0 - 9.8-25.0 HG2 LYS 24 - H ILE 32 far 0 97 0 - 9.9-17.8 HG2 LYS 19 - H ILE 32 far 0 68 0 - 10.0-23.5 Violated in 0 structures by 0.00 A. Peak 6347 from nnoeabs.peaks (1.66, 8.14, 122.30 ppm; 6.71 A): 5 out of 6 assignments used, quality = 1.00: * HD2 LYS 31 + H ILE 32 OK 100 100 100 100 4.7-6.4 3.5/809=99, 5.2/6342=93...(8) HD3 LYS 31 + H ILE 32 OK 100 100 100 100 4.5-7.0 3.5/809=99, 5.2/6342=93...(7) HD2 LYS 26 + H ILE 32 OK 99 100 100 99 3.1-7.1 10832/6351=63...(15) HD3 LYS 26 + H ILE 32 OK 94 100 95 99 2.9-7.5 10767/6354=68, ~10763=55...(13) HD2 LYS 36 + H ILE 32 OK 34 98 65 53 6.8-7.4 10855/4.6=39...(3) HD3 LYS 36 - H ILE 32 far 0 98 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 6348 from nnoeabs.peaks (1.66, 8.14, 122.30 ppm; 6.71 A): 5 out of 6 assignments used, quality = 1.00: * HD3 LYS 31 + H ILE 32 OK 100 100 100 100 4.5-7.0 3.5/809=99, 5.2/6342=93...(7) HD2 LYS 31 + H ILE 32 OK 100 100 100 100 4.7-6.4 3.5/809=99, 5.2/6342=93...(8) HD2 LYS 26 + H ILE 32 OK 99 100 100 99 3.1-7.1 10832/6351=63...(16) HD3 LYS 26 + H ILE 32 OK 94 100 95 99 2.9-7.5 10767/6354=65, ~10763=55...(13) HD2 LYS 36 + H ILE 32 OK 33 97 65 52 6.8-7.4 10855/4.6=38...(3) HD3 LYS 36 - H ILE 32 far 0 97 0 - 8.6-9.1 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 1 assignment used, quality = 1.00: * HA ILE 32 + H ILE 32 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6352 from nnoeabs.peaks (1.82, 8.14, 122.30 ppm; 2.82 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 32 + H ILE 32 OK 100 100 100 100 2.3-2.6 895=77, 3.0/6351=42...(27) HB3 LYS 26 - H ILE 32 far 5 100 5 - 3.1-7.3 HB3 LYS 31 - H ILE 32 far 0 99 0 - 4.3-4.5 HB2 LYS 36 - H ILE 32 far 0 100 0 - 6.4-8.2 HB3 ARG 23 - H ILE 32 far 0 100 0 - 8.0-17.2 HB3 LYS 19 - H ILE 32 far 0 99 0 - 8.5-23.5 Violated in 0 structures by 0.00 A. Peak 6353 from nnoeabs.peaks (0.85, 8.14, 122.30 ppm; 3.90 A increased from 3.28 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 32 + H ILE 32 OK 100 100 100 100 3.7-3.8 903=100, 2.1/6352=92...(23) QD2 LEU 22 - H ILE 32 far 0 95 0 - 8.0-19.3 Violated in 0 structures by 0.00 A. Peak 6354 from nnoeabs.peaks (1.16, 8.14, 122.30 ppm; 3.27 A increased from 3.08 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 32 + H ILE 32 OK 100 100 100 100 2.9-3.6 911=91, 1.8/6345=71...(28) QG2 THR 25 - H ILE 32 far 0 71 0 - 7.1-10.7 Violated in 1 structures by 0.02 A. Peak 6355 from nnoeabs.peaks (1.44, 8.14, 122.30 ppm; 3.26 A): 1 out of 6 assignments used, quality = 1.00: * HG13 ILE 32 + H ILE 32 OK 100 100 100 100 2.2-2.7 919=97, 1.8/6354=70...(25) HG2 LYS 26 - H ILE 32 far 0 99 0 - 4.8-8.7 HG2 LYS 31 - H ILE 32 far 0 100 0 - 4.8-5.8 QB ALA 34 - H ILE 32 far 0 83 0 - 6.7-7.4 HG3 LYS 36 - H ILE 32 far 0 63 0 - 8.5-9.7 HG3 LYS 19 - H ILE 32 far 0 100 0 - 9.2-23.8 Violated in 0 structures by 0.00 A. Peak 6356 from nnoeabs.peaks (0.78, 8.14, 122.30 ppm; 4.12 A increased from 3.66 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 32 + H ILE 32 OK 100 100 100 100 3.8-4.0 927=100, 2.1/6345=89...(26) QD1 ILE 37 - H ILE 32 far 0 100 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 6357 from nnoeabs.peaks (8.23, 8.14, 122.30 ppm; 5.58 A): 3 out of 4 assignments used, quality = 1.00: H LYS 31 + H ILE 32 OK 100 100 100 100 2.5-2.8 4.7=100 * H SER 33 + H ILE 32 OK 100 100 100 100 4.6-4.6 4.6=100 H ALA 29 + H ILE 32 OK 90 90 100 100 4.1-5.7 2.9/10819=83, ~10820=51...(14) H ARG 23 - H ILE 32 far 0 95 0 - 7.2-18.2 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 1 assignment used, quality = 1.00: * H ILE 32 + H SER 33 OK 100 100 100 100 4.6-4.6 4.6=100 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 = 0.97: * HA ILE 32 + H SER 33 OK 97 100 100 97 2.3-2.4 894=80, 3.0/6361=32...(16) HA CYS 79 - H SER 33 far 0 100 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 6361 from nnoeabs.peaks (1.82, 8.23, 119.56 ppm; 3.00 A): 0 out of 7 assignments used, quality = 0.00: ! HB ILE 32 - H SER 33 poor 20 100 20 99 3.5-4.0 2.1/6362=57, 3.0/6360=54...(17) HB2 LYS 36 - H SER 33 far 0 100 0 - 4.5-6.6 HB3 LYS 26 - H SER 33 far 0 100 0 - 5.8-7.9 HB3 ARG 23 - H SER 33 far 0 100 0 - 7.2-17.0 HB3 LYS 31 - H SER 33 far 0 99 0 - 7.7-7.9 HB2 CYS 79 - H SER 33 far 0 81 0 - 9.5-11.5 HB3 LYS 24 - H SER 33 far 0 100 0 - 10.0-15.8 Violated in 20 structures by 0.54 A. Peak 6362 from nnoeabs.peaks (0.85, 8.23, 119.56 ppm; 3.18 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 32 + H SER 33 OK 100 100 100 100 1.8-1.9 910=92, 2.1/6361=68...(21) QD2 LEU 22 - H SER 33 far 0 95 0 - 9.2-18.4 Violated in 0 structures by 0.00 A. Peak 6363 from nnoeabs.peaks (1.16, 8.23, 119.56 ppm; 4.37 A increased from 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 32 + H SER 33 OK 100 100 100 100 3.4-4.3 891/6360=89, 2.9/6361=87...(16) QG2 THR 25 - H SER 33 far 0 71 0 - 6.0-11.2 QB ALA 41 - H SER 33 far 0 99 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 6364 from nnoeabs.peaks (1.44, 8.23, 119.56 ppm; 3.64 A): 1 out of 6 assignments used, quality = 0.75: QB ALA 34 + H SER 33 OK 75 83 100 90 3.4-3.7 2.9/6369=66...(6) HG2 LYS 26 - H SER 33 far 0 99 0 - 4.4-8.6 ! HG13 ILE 32 - H SER 33 far 0 100 0 - 4.6-5.1 HG2 LYS 31 - H SER 33 far 0 100 0 - 6.3-8.0 HG3 LYS 36 - H SER 33 far 0 63 0 - 7.2-7.5 HG3 LYS 24 - H SER 33 far 0 99 0 - 9.9-17.7 Violated in 1 structures by 0.00 A. Peak 6365 from nnoeabs.peaks (0.78, 8.23, 119.56 ppm; 4.36 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 32 + H SER 33 OK 100 100 100 100 4.0-4.4 930/6362=87, 3.2/6361=82...(18) QD1 ILE 37 + H SER 33 OK 63 100 70 90 4.5-5.4 10786/6368=47...(6) Violated in 0 structures by 0.00 A. Peak 6366 from nnoeabs.peaks (4.40, 8.23, 119.56 ppm; 2.98 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 33 + H SER 33 OK 100 100 100 100 2.9-2.9 3.0=100 HA ASP 71 - H SER 33 far 0 85 0 - 8.6-10.3 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 2 assignments used, quality = 0.98: * HB2 SER 33 + H SER 33 OK 98 100 100 98 2.7-3.4 1.8/6368=62, 4.0=48...(12) HA3 GLY 75 - H SER 33 far 0 99 0 - 6.1-7.5 Violated in 2 structures by 0.02 A. Peak 6368 from nnoeabs.peaks (3.85, 8.23, 119.56 ppm; 3.45 A increased from 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 33 + H SER 33 OK 100 100 100 100 3.2-3.9 945=85, 1.8/6367=79...(11) Violated in 3 structures by 0.04 A. Peak 6369 from nnoeabs.peaks (8.43, 8.23, 119.56 ppm; 3.10 A): 1 out of 1 assignment used, quality = 0.98: * H ALA 34 + H SER 33 OK 98 100 100 98 1.6-2.1 6371=66, 2.9/6364=41...(11) Violated in 0 structures by 0.00 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 4 assignments used, quality = 1.00: * H SER 33 + H ALA 34 OK 100 100 100 100 1.6-2.1 6369=100, 6364/2.9=54...(11) H ALA 29 - H ALA 34 far 0 90 0 - 8.1-10.4 H LYS 31 - H ALA 34 far 0 100 0 - 8.3-8.9 H ARG 23 - H ALA 34 far 0 95 0 - 9.7-18.8 Violated in 0 structures by 0.00 A. Peak 6372 from nnoeabs.peaks (4.40, 8.43, 125.99 ppm; 2.88 A): 1 out of 6 assignments used, quality = 0.40: HA MET 11 + H ALA 12 OK 40 50 100 81 2.3-2.6 3.6=53, 3.0/146=24...(7) ! HA SER 33 - H ALA 34 far 5 100 5 - 3.4-3.6 HA ASP 71 - H ALA 34 far 0 85 0 - 7.7-9.9 HA SER 9 - H ALA 12 far 0 83 0 - 8.6-9.8 HA ASP 78 - H ALA 34 far 0 95 0 - 8.9-11.9 HA ASP 71 - H ALA 12 far 0 64 0 - 9.6-33.3 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 6 assignments used, quality = 1.00: * HB2 SER 33 + H ALA 34 OK 100 100 100 100 3.4-4.1 944=88, 1.8/949=75...(13) HA3 GLY 75 - H ALA 34 far 0 99 0 - 4.5-6.2 HA3 GLY 14 - H ALA 12 far 0 80 0 - 6.5-9.3 HA2 GLY 14 - H ALA 12 far 0 81 0 - 6.7-9.5 HB2 SER 94 - H ALA 12 far 0 79 0 - 8.1-35.5 HB2 SER 33 - H ALA 12 far 0 83 0 - 8.8-37.4 Violated in 2 structures by 0.04 A. Peak 6374 from nnoeabs.peaks (3.85, 8.43, 125.99 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 33 + H ALA 34 OK 100 100 100 100 2.7-3.7 949=100, 1.8/6373=87...(14) HB3 SER 33 - H ALA 12 far 0 83 0 - 9.6-37.4 Violated in 0 structures by 0.00 A. Peak 6375 from nnoeabs.peaks (4.22, 8.43, 125.99 ppm; 3.19 A): 1 out of 9 assignments used, quality = 1.00: * HA ALA 34 + H ALA 34 OK 100 100 100 100 2.7-2.8 3.0=100 HA ARG 84 - H ALA 12 far 0 56 0 - 5.3-47.3 HA ALA 88 - H ALA 12 far 0 60 0 - 6.4-42.2 HA ALA 29 - H ALA 34 far 0 100 0 - 6.4-7.6 HA GLN 27 - H ALA 34 far 0 85 0 - 6.4-12.7 HB THR 25 - H ALA 34 far 0 76 0 - 7.2-14.2 HA GLU 30 - H ALA 34 far 0 100 0 - 9.6-11.0 HA ALA 28 - H ALA 34 far 0 95 0 - 9.7-12.4 HA SER 94 - H ALA 12 far 0 80 0 - 9.8-35.6 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 11 assignments used, quality = 0.98: * QB ALA 34 + H ALA 34 OK 98 100 100 98 2.0-2.2 954=95, 6381/4.6=19...(10) HG2 LYS 26 - H ALA 34 far 0 93 0 - 4.7-9.4 HG3 LYS 19 - H ALA 12 far 0 52 0 - 5.6-24.3 HG13 ILE 32 - H ALA 34 far 0 83 0 - 5.9-7.0 QB ALA 92 - H ALA 12 far 0 77 0 - 7.1-35.6 QB ALA 16 - H ALA 12 far 0 73 0 - 7.5-14.3 HG2 LYS 31 - H ALA 34 far 0 76 0 - 7.5-9.5 HG3 LYS 31 - H ALA 34 far 0 63 0 - 7.5-10.1 HG3 LYS 31 - H ALA 12 far 0 45 0 - 7.7-36.8 HG2 LYS 31 - H ALA 12 far 0 56 0 - 7.9-35.2 QB ALA 34 - H ALA 12 far 0 83 0 - 9.5-29.9 Violated in 0 structures by 0.00 A. Peak 6377 from nnoeabs.peaks (8.38, 8.43, 125.99 ppm; 5.58 A): 2 out of 7 assignments used, quality = 1.00: * H ASP 35 + H ALA 34 OK 100 100 100 100 2.8-3.0 4.6=100 H MET 11 + H ALA 12 OK 48 48 100 100 4.4-4.6 4.6=100 H GLY 14 - H ALA 12 poor 16 62 25 - 4.7-7.8 H LYS 26 - H ALA 34 far 0 90 0 - 6.3-11.3 H GLN 27 - H ALA 34 far 0 100 0 - 8.0-10.5 H LYS 24 - H ALA 34 far 0 89 0 - 8.7-16.2 H SER 74 - H ALA 34 far 0 81 0 - 9.0-11.2 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 1 assignment used, quality = 1.00: * H ALA 34 + H ASP 35 OK 100 100 100 100 2.8-3.0 4.6=100 Violated in 0 structures by 0.00 A. Peak 6380 from nnoeabs.peaks (4.22, 8.38, 118.19 ppm; 3.73 A increased from 2.98 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 34 + H ASP 35 OK 100 100 100 100 3.5-3.6 3.6=100 HA ALA 29 - H ASP 35 far 0 100 0 - 5.4-6.8 HB THR 25 - H ASP 35 far 0 76 0 - 6.2-13.3 HA HIS 67 - H THR 65 far 0 96 0 - 6.7-6.9 HA GLN 27 - H ASP 35 far 0 85 0 - 7.3-12.2 HB3 SER 38 - H ASP 35 far 0 100 0 - 8.6-11.0 HA ALA 28 - H ASP 35 far 0 95 0 - 8.8-10.8 HA GLU 30 - H ASP 35 far 0 100 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 6381 from nnoeabs.peaks (1.42, 8.38, 118.19 ppm; 2.84 A): 1 out of 7 assignments used, quality = 0.81: * QB ALA 34 + H ASP 35 OK 81 100 100 81 2.3-2.5 957=49, 10801/3.0=29...(7) HG2 LYS 26 - H ASP 35 far 0 93 0 - 5.4-9.9 HG13 ILE 32 - H ASP 35 far 0 83 0 - 5.9-6.6 HG3 LYS 31 - H ASP 35 far 0 63 0 - 9.1-11.8 HG3 LYS 24 - H ASP 35 far 0 65 0 - 9.5-18.1 HG2 LYS 31 - H ASP 35 far 0 76 0 - 9.6-11.3 HG LEU 96 - H THR 65 far 0 76 0 - 9.9-10.6 Violated in 0 structures by 0.00 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 2.8-2.8 3.0=100 HA TYR 72 - H ASP 35 far 0 63 0 - 8.5-9.7 HA SER 38 - H ASP 35 far 0 89 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 6383 from nnoeabs.peaks (2.67, 8.38, 118.19 ppm; 3.21 A increased from 3.02 A): 1 out of 1 assignment used, quality = 0.92: * HB2 ASP 35 + H ASP 35 OK 92 100 100 92 2.6-3.2 963=64, 6389/6385=41...(5) Violated in 0 structures by 0.00 A. Peak 6384 from nnoeabs.peaks (2.75, 8.38, 118.19 ppm; 3.37 A): 2 out of 4 assignments used, quality = 0.99: * HB3 ASP 35 + H ASP 35 OK 98 100 100 98 2.1-2.5 1.8/6383=75, 961/3.0=60...(7) HB2 ASP 64 + H THR 65 OK 70 98 80 90 2.6-4.1 1.8/2058=49, 2052=44...(10) HB3 ASP 78 - H ASP 35 far 0 96 0 - 8.3-11.2 HB2 TYR 76 - H ASP 35 far 0 98 0 - 8.7-11.0 Violated in 0 structures by 0.00 A. Peak 6385 from nnoeabs.peaks (8.00, 8.38, 118.19 ppm; 3.04 A): 1 out of 4 assignments used, quality = 0.98: * H LYS 36 + H ASP 35 OK 98 100 100 98 2.6-2.7 6387=87, 6388/3.0=41...(11) H ILE 37 - H ASP 35 far 0 60 0 - 4.2-4.4 H SER 38 - H ASP 35 far 0 93 0 - 8.6-8.8 H SER 51 - H THR 65 far 0 91 0 - 9.6-10.2 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 3 assignments used, quality = 1.00: * H ASP 35 + H LYS 36 OK 100 100 100 100 2.6-2.7 6385=100, 3.0/6388=45...(11) H LYS 26 - H LYS 36 far 0 90 0 - 8.5-13.2 H GLN 27 - H LYS 36 far 0 100 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 6388 from nnoeabs.peaks (4.52, 8.00, 120.91 ppm; 3.49 A increased from 3.10 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 35 + H LYS 36 OK 100 100 100 100 3.3-3.4 962=99, 3.0/6385=62...(13) HA SER 38 - H LYS 36 far 0 89 0 - 7.1-7.3 HA TYR 72 - H LYS 36 far 0 63 0 - 7.4-8.3 Violated in 0 structures by 0.00 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 3.5-4.3 967=74, 6383/6385=66...(5) Violated in 1 structures by 0.03 A. Peak 6390 from nnoeabs.peaks (2.75, 8.00, 120.91 ppm; 4.12 A increased from 3.88 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 35 + H LYS 36 OK 100 100 100 100 3.3-3.9 972=88, 1.8/6389=85...(6) HB2 TYR 76 - H LYS 36 far 0 98 0 - 7.9-10.2 HB3 ASP 78 - H LYS 36 far 0 96 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 6391 from nnoeabs.peaks (4.27, 8.00, 120.91 ppm; 3.28 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 36 + H LYS 36 OK 100 100 100 100 2.9-2.9 3.0=100 HA THR 25 - H LYS 36 far 0 90 0 - 7.4-15.2 HA LYS 26 - H LYS 36 far 0 99 0 - 8.9-13.9 HA LYS 31 - H LYS 36 far 0 100 0 - 9.1-9.8 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 5 assignments used, quality = 0.98: * HB2 LYS 36 + H LYS 36 OK 98 100 100 98 2.2-3.4 1.8/995=58, 3.9=47...(28) HB ILE 32 - H LYS 36 far 0 100 0 - 5.1-6.1 HB2 CYS 79 - H LYS 36 far 0 78 0 - 6.8-9.0 HB3 LYS 26 - H LYS 36 far 0 100 0 - 8.0-11.6 HB3 LYS 24 - H LYS 36 far 0 100 0 - 9.5-18.9 Violated in 2 structures by 0.04 A. Peak 6393 from nnoeabs.peaks (1.88, 8.00, 120.91 ppm; 3.57 A increased from 3.18 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 36 + H LYS 36 OK 100 100 100 100 2.2-3.5 995=100, 1.8/6392=85...(27) Violated in 0 structures by 0.00 A. Peak 6394 from nnoeabs.peaks (1.38, 8.00, 120.91 ppm; 3.87 A increased from 3.65 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 36 + H LYS 36 OK 100 100 100 100 3.6-3.9 3.0/6392=73, 3.0/995=66...(41) QB ALA 29 - H LYS 36 far 0 100 0 - 5.3-8.0 HG3 LYS 26 - H LYS 36 far 0 100 0 - 8.1-11.6 HG3 LYS 31 - H LYS 36 far 0 97 0 - 9.0-12.3 Violated in 1 structures by 0.00 A. Peak 6395 from nnoeabs.peaks (1.47, 8.00, 120.91 ppm; 3.60 A): 0 out of 2 assignments used, quality = 0.00: ! HG3 LYS 36 - H LYS 36 far 0 100 0 - 4.6-4.7 HG13 ILE 32 - H LYS 36 far 0 63 0 - 7.3-8.1 Violated in 20 structures by 1.01 A. Peak 6396 from nnoeabs.peaks (1.67, 8.00, 120.91 ppm; 4.61 A): 2 out of 6 assignments used, quality = 1.00: HD3 LYS 36 + H LYS 36 OK 100 100 100 100 4.3-4.7 3.5/6392=82, 3.0/6394=77...(68) * HD2 LYS 36 + H LYS 36 OK 100 100 100 100 3.6-3.9 3.5/6392=82, 3.0/6394=77...(57) HD2 LYS 26 - H LYS 36 far 0 97 0 - 5.6-9.3 HD3 LYS 26 - H LYS 36 far 0 96 0 - 6.0-10.6 HD3 LYS 31 - H LYS 36 far 0 97 0 - 9.5-13.2 HD2 LYS 31 - H LYS 36 far 0 98 0 - 9.6-12.9 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 6 assignments used, quality = 1.00: * HD3 LYS 36 + H LYS 36 OK 100 100 100 100 4.3-4.7 3.5/6392=82, 3.0/6394=77...(68) HD2 LYS 36 + H LYS 36 OK 100 100 100 100 3.6-3.9 3.5/6392=82, 3.0/6394=77...(57) HD2 LYS 26 - H LYS 36 far 0 97 0 - 5.6-9.3 HD3 LYS 26 - H LYS 36 far 0 96 0 - 6.0-10.6 HD3 LYS 31 - H LYS 36 far 0 97 0 - 9.5-13.2 HD2 LYS 31 - H LYS 36 far 0 98 0 - 9.6-12.9 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; 3.59 A increased from 3.02 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 36 + H ILE 37 OK 100 100 100 100 3.4-3.5 3.6=100 HA THR 25 - H ILE 37 far 0 90 0 - 9.3-16.8 Violated in 0 structures by 0.00 A. Peak 6404 from nnoeabs.peaks (1.82, 7.97, 121.77 ppm; 3.75 A): 1 out of 3 assignments used, quality = 0.95: * HB2 LYS 36 + H ILE 37 OK 95 100 95 100 2.9-4.4 994=61, 1.8/6405=57...(14) HB2 CYS 79 - H ILE 37 far 0 78 0 - 6.1-7.9 HB ILE 32 - H ILE 37 far 0 100 0 - 7.1-8.1 Violated in 2 structures by 0.06 A. Peak 6405 from nnoeabs.peaks (1.88, 7.97, 121.77 ppm; 4.39 A increased from 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 36 + H ILE 37 OK 100 100 100 100 3.3-4.3 1.8/6404=91, 4.6=86...(11) Violated in 0 structures by 0.00 A. Peak 6406 from nnoeabs.peaks (1.38, 7.97, 121.77 ppm; 4.06 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 36 + H ILE 37 OK 100 100 100 100 2.7-3.0 3.0/6404=66, 1.8/6407=62...(15) QB ALA 29 - H ILE 37 far 0 100 0 - 7.1-9.8 HB2 LEU 42 - H ILE 37 far 0 100 0 - 8.2-8.9 HG3 LYS 26 - H ILE 37 far 0 100 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 6407 from nnoeabs.peaks (1.47, 7.97, 121.77 ppm; 4.58 A increased from 4.31 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 36 + H ILE 37 OK 100 100 100 100 4.3-4.5 1.8/6406=89, 3.0/6404=79...(11) HG13 ILE 32 - H ILE 37 far 0 63 0 - 9.4-10.1 HG LEU 42 - H ILE 37 far 0 83 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 6408 from nnoeabs.peaks (1.67, 7.97, 121.77 ppm; 4.85 A): 2 out of 4 assignments used, quality = 1.00: HD3 LYS 36 + H ILE 37 OK 100 100 100 100 3.1-4.3 3.0/6406=79, 3.5/6404=77...(13) * HD2 LYS 36 + H ILE 37 OK 100 100 100 100 3.6-4.3 3.0/6406=79, 3.5/6404=77...(12) HD2 LYS 26 - H ILE 37 far 0 97 0 - 7.5-11.1 HD3 LYS 26 - H ILE 37 far 0 96 0 - 8.0-12.5 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 4 assignments used, quality = 1.00: * HD3 LYS 36 + H ILE 37 OK 100 100 100 100 3.1-4.3 3.0/6406=79, 3.5/6404=77...(13) HD2 LYS 36 + H ILE 37 OK 100 100 100 100 3.6-4.3 3.0/6406=79, 3.5/6404=77...(12) HD2 LYS 26 - H ILE 37 far 0 97 0 - 7.5-11.1 HD3 LYS 26 - H ILE 37 far 0 96 0 - 8.0-12.5 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 3 assignments used, quality = 1.00: * HA ILE 37 + H ILE 37 OK 100 100 100 100 2.7-2.9 2.9=100 HB2 SER 38 - H ILE 37 far 0 99 0 - 5.8-6.6 HD3 PRO 81 - H ILE 37 far 0 89 0 - 9.6-11.7 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 1 assignment used, quality = 0.99: * HB ILE 37 + H ILE 37 OK 99 100 100 99 2.7-3.0 3.8=45, 2.1/6414=42...(23) Violated in 4 structures by 0.00 A. Peak 6414 from nnoeabs.peaks (0.94, 7.97, 121.77 ppm; 3.77 A increased from 3.35 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 37 + H ILE 37 OK 100 100 100 100 3.6-3.8 2.1/6413=87, 4.0=82...(23) Violated in 0 structures by 0.00 A. Peak 6415 from nnoeabs.peaks (1.28, 7.97, 121.77 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 37 + H ILE 37 OK 100 100 100 100 1.5-1.9 1.8/6416=66, 2.1/6417=59...(22) Violated in 0 structures by 0.00 A. Peak 6416 from nnoeabs.peaks (1.56, 7.97, 121.77 ppm; 3.49 A increased from 3.29 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 37 + H ILE 37 OK 100 100 100 100 3.2-3.5 1104=82, 1.8/6415=76...(19) HB3 LEU 42 - H ILE 37 far 0 89 0 - 7.1-7.6 HG2 ARG 23 - H ILE 37 far 0 93 0 - 9.6-21.9 Violated in 1 structures by 0.00 A. Peak 6417 from nnoeabs.peaks (0.78, 7.97, 121.77 ppm; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 37 + H ILE 37 OK 100 100 100 100 2.2-3.3 2.1/6415=73, 2.1/6416=69...(24) QD1 ILE 32 - H ILE 37 far 0 100 0 - 7.3-8.0 Violated in 0 structures by 0.00 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 4 assignments used, quality = 1.00: * HA ILE 37 + H SER 38 OK 100 100 100 100 2.2-2.4 3.6=87, 1089/6423=50...(16) HB2 SER 38 + H SER 38 OK 91 99 100 92 2.8-3.0 3.9=64, 1.8/1130=57...(5) HD3 PRO 81 - H SER 38 far 0 89 0 - 8.0-9.6 HA GLU 44 - H SER 38 far 0 63 0 - 9.7-10.0 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 1 assignment used, quality = 1.00: * HB ILE 37 + H SER 38 OK 100 100 100 100 3.2-3.7 2.1/6423=72, 4.5=61...(18) Violated in 0 structures by 0.00 A. Peak 6423 from nnoeabs.peaks (0.94, 7.98, 119.00 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 37 + H SER 38 OK 100 100 100 100 1.9-2.4 4.2=66, 2.1/6422=64...(21) Violated in 0 structures by 0.00 A. Peak 6424 from nnoeabs.peaks (1.28, 7.98, 119.00 ppm; 5.24 A increased from 4.66 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + H SER 38 OK 100 100 100 100 4.7-5.0 2.1/6426=93, 2.9/6422=91...(16) HB3 LEU 43 - H SER 38 far 0 99 0 - 7.3-9.4 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 2 assignments used, quality = 1.00: * HG13 ILE 37 + H SER 38 OK 100 100 100 100 4.3-5.4 2.1/6426=87, 2.9/6422=85...(15) HB3 LEU 42 + H SER 38 OK 49 89 100 55 3.7-4.5 1093/6423=36...(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 2 assignments used, quality = 1.00: * QD1 ILE 37 + H SER 38 OK 100 100 100 100 3.9-4.9 1094/6423=79...(19) QD2 LEU 43 - H SER 38 far 0 73 0 - 7.0-8.3 Violated in 1 structures by 0.03 A. Peak 6427 from nnoeabs.peaks (4.54, 7.98, 119.00 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 38 + H SER 38 OK 100 100 100 100 2.9-2.9 3.0=100 HA TYR 72 - H SER 38 far 0 97 0 - 5.6-6.5 HA ASP 35 - H SER 38 far 0 89 0 - 7.5-8.0 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 3 assignments used, quality = 1.00: HA ILE 37 + H SER 38 OK 99 99 100 100 2.2-2.4 3.6=91, 1089/6423=51...(16) * HB2 SER 38 + H SER 38 OK 93 100 100 93 2.8-3.0 3.9=67, 1.8/1130=59...(5) HD3 PRO 81 - H SER 38 far 0 76 0 - 8.0-9.6 Violated in 0 structures by 0.00 A. Peak 6429 from nnoeabs.peaks (4.22, 7.98, 119.00 ppm; 4.00 A increased from 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 38 + H SER 38 OK 100 100 100 100 3.3-3.9 3.9=100 HA ALA 34 - H SER 38 far 0 100 0 - 6.6-7.0 Violated in 0 structures by 0.00 A. Peak 6430 from nnoeabs.peaks (8.69, 7.98, 119.00 ppm; 4.56 A increased from 4.29 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + H SER 38 OK 100 100 100 100 4.2-4.4 6432=100, 1134/1130=58...(5) Violated in 0 structures by 0.00 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 3 assignments used, quality = 0.99: * H SER 38 + H LYS 39 OK 99 100 100 99 4.2-4.4 6430=96, 1130/1134=57...(5) H ILE 37 - H LYS 39 far 0 92 0 - 7.7-8.0 H LYS 36 - H LYS 39 far 0 93 0 - 9.4-9.6 Violated in 0 structures by 0.00 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 2.2-2.4 3.6=100 HA TYR 72 - H LYS 39 far 0 97 0 - 8.8-9.6 HA ASP 35 - H LYS 39 far 0 89 0 - 8.9-9.5 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 3 assignments used, quality = 1.00: * HB2 SER 38 + H LYS 39 OK 100 100 100 100 3.7-4.3 4.6=100 HD3 PRO 81 - H LYS 39 far 8 76 10 - 5.0-6.5 HA ILE 37 - H LYS 39 far 0 99 0 - 6.3-6.5 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 2 assignments used, quality = 1.00: * HB3 SER 38 + H LYS 39 OK 100 100 100 100 2.7-3.9 1134=100, 1.8/1129=82...(9) HA ALA 34 - H LYS 39 far 0 100 0 - 9.1-9.6 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 2.7-2.7 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 2 assignments used, quality = 1.00: * HB2 LYS 39 + H LYS 39 OK 100 100 100 100 2.1-3.6 3.9=100 HB ILE 80 - H LYS 39 far 0 73 0 - 8.8-9.6 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 2.3-3.2 3.9=100 HG3 PRO 81 - H LYS 39 far 0 65 0 - 5.6-8.3 HG3 GLN 134 - H LYS 39 far 0 100 0 - 8.6-10.9 HB3 GLU 44 - H LYS 39 far 0 100 0 - 8.9-9.7 HB3 GLN 82 - H LYS 39 far 0 95 0 - 9.9-13.4 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 2.5-4.7 4.7=100 HG3 LYS 39 + H LYS 39 OK 78 78 100 100 3.6-4.6 4.7=100 QG1 VAL 132 - H LYS 39 far 0 100 0 - 10.0-10.8 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 5 assignments used, quality = 1.00: * HG3 LYS 39 + H LYS 39 OK 100 100 100 100 3.6-4.6 4.7=100 QB ALA 41 + H LYS 39 OK 93 93 100 100 4.8-5.0 10845/3.6=76...(9) HG2 LYS 39 + H LYS 39 OK 78 78 100 100 2.5-4.7 4.7=100 QG2 VAL 77 - H LYS 39 far 0 71 0 - 9.6-10.3 QG1 VAL 132 - H LYS 39 far 0 68 0 - 10.0-10.8 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 2 assignments used, quality = 1.00: * HD2 LYS 39 + H LYS 39 OK 100 100 100 100 4.2-5.9 5.5=100 HD3 LYS 36 - H LYS 39 far 0 99 0 - 9.8-10.8 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 4.6-5.4 5.5=100 HB2 LEU 43 - H LYS 39 far 5 93 5 - 6.3-8.2 HB ILE 80 - H LYS 39 far 0 73 0 - 8.8-9.6 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 2 assignments used, quality = 1.00: * H GLU 40 + H LYS 39 OK 100 100 100 100 3.0-3.2 6448=100, 1159/3.9=48...(15) H LEU 43 - H LYS 39 far 0 99 0 - 5.5-5.9 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 = 1.00: * H LYS 39 + H GLU 40 OK 100 100 100 100 3.0-3.2 6445=90, 3.9/1159=45...(15) H HIS 7 - H SER 99 far 0 85 0 - 7.4-48.2 H HIS 8 - H SER 99 far 0 47 0 - 8.5-48.0 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 1 assignment used, quality = 1.00: * HA LYS 39 + H GLU 40 OK 100 100 100 100 3.5-3.6 3.6=100 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 3 assignments used, quality = 0.99: * HB2 LYS 39 + H GLU 40 OK 99 100 100 99 2.9-4.0 1159=75, 1.8/6451=64...(12) HB3 LEU 98 + H SER 99 OK 59 59 100 99 3.0-4.2 4.6=63, 1.8/3166=62...(18) HG LEU 100 - H SER 99 far 0 75 0 - 4.9-5.5 Violated in 0 structures by 0.00 A. Peak 6451 from nnoeabs.peaks (2.08, 8.28, 116.30 ppm; 4.42 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LYS 39 + H GLU 40 OK 100 100 100 100 2.4-2.7 4.7=86, 1.8/1159=79...(12) HB2 GLU 102 - H SER 99 far 0 88 0 - 5.4-6.6 HB3 GLU 44 - H GLU 40 far 0 100 0 - 6.8-7.4 HB VAL 118 - H SER 99 far 0 63 0 - 7.5-8.2 HG3 PRO 81 - H GLU 40 far 0 65 0 - 7.7-10.4 HG3 GLN 134 - H GLU 40 far 0 100 0 - 7.7-10.5 HG2 PRO 117 - H SER 99 far 0 57 0 - 9.2-10.1 HB VAL 126 - H SER 99 far 0 54 0 - 9.5-10.2 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 3 assignments used, quality = 1.00: * HG2 LYS 39 + H GLU 40 OK 100 100 100 100 2.7-5.1 2.9/1159=88, 2.9/6451=88...(15) HG3 LYS 39 + H GLU 40 OK 78 78 100 100 3.9-4.8 2.9/1159=88, 2.9/6451=88...(16) HB3 LEU 62 - H SER 99 far 0 84 0 - 9.8-12.2 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 4 assignments used, quality = 1.00: * HG3 LYS 39 + H GLU 40 OK 100 100 100 100 3.9-4.8 2.9/1159=68, 2.9/6451=67...(16) QB ALA 41 + H GLU 40 OK 93 93 100 100 4.2-4.4 3.0/6463=77...(15) HG2 LYS 39 + H GLU 40 OK 78 78 100 100 2.7-5.1 2.9/1159=68, 2.9/6451=67...(15) HB3 LEU 62 - H SER 99 far 0 81 0 - 9.8-12.2 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 6 assignments used, quality = 1.00: * HD2 LYS 39 + H GLU 40 OK 100 100 100 100 2.4-5.2 1203=71, 3.6/1159=64...(15) HB2 LEU 98 + H SER 99 OK 54 54 100 100 2.3-3.5 4.6=100 HD2 LYS 95 - H SER 99 far 0 59 0 - 7.0-8.7 HD3 LYS 95 - H SER 99 far 0 70 0 - 7.4-8.2 HB2 LEU 123 - H SER 99 far 0 50 0 - 9.5-10.9 HB2 LEU 69 - H SER 99 far 0 85 0 - 9.5-10.2 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 90 100 90 100 4.0-6.1 1.8/1203=76, 3.6/1159=72...(15) HG LEU 98 + H SER 99 OK 88 88 100 100 2.3-5.1 2.1/3191=78, 3176/3.8=78...(14) HB2 LEU 43 + H GLU 40 OK 70 93 75 100 4.4-6.3 1245/2.8=79...(20) HB3 LEU 70 - H SER 99 far 0 89 0 - 9.2-10.5 HB2 LEU 70 - H SER 99 far 0 89 0 - 9.7-10.7 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 5 assignments used, quality = 1.00: * HA GLU 40 + H GLU 40 OK 100 100 100 100 2.8-2.9 2.8=100 HA VAL 118 - H SER 99 far 0 54 0 - 6.0-6.8 HD2 PRO 81 - H GLU 40 far 0 97 0 - 8.2-10.2 HB2 SER 130 - H GLU 40 far 0 83 0 - 8.8-11.2 HA LEU 123 - H SER 99 far 0 87 0 - 9.2-10.7 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 2 assignments used, quality = 1.00: * HB2 GLU 40 + H GLU 40 OK 100 100 100 100 2.5-3.6 1247=86, 1.8/6460=74...(9) HB3 LEU 123 - H SER 99 far 0 63 0 - 9.9-11.8 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 8 assignments used, quality = 1.00: * HB3 GLU 40 + H GLU 40 OK 100 100 100 100 2.4-2.8 1254=79, 1.8/6459=72...(11) HB VAL 118 - H SER 99 far 0 66 0 - 7.5-8.2 HG3 PRO 81 - H GLU 40 far 0 90 0 - 7.7-10.4 HB2 GLU 44 - H GLU 40 far 0 96 0 - 8.1-8.7 HB2 GLN 134 - H GLU 40 far 0 92 0 - 9.1-10.8 HB3 PRO 117 - H SER 99 far 0 52 0 - 9.2-10.3 HG2 PRO 117 - H SER 99 far 0 72 0 - 9.2-10.1 QE MET 11 - H SER 99 far 0 88 0 - 9.9-35.4 Violated in 0 structures by 0.00 A. Peak 6461 from nnoeabs.peaks (2.31, 8.28, 116.30 ppm; 4.71 A increased from 4.19 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 40 + H GLU 40 OK 100 100 100 100 1.9-4.5 4.8=98, 3.0/6460=83...(11) HB3 GLN 101 - H SER 99 far 0 78 0 - 5.8-6.9 HG2 GLU 44 - H GLU 40 far 0 76 0 - 5.9-6.9 HB3 GLN 134 - H GLU 40 far 0 92 0 - 7.4-10.8 Violated in 0 structures by 0.00 A. Peak 6462 from nnoeabs.peaks (2.39, 8.28, 116.30 ppm; 4.46 A increased from 4.20 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 40 + H GLU 40 OK 100 100 100 100 2.0-4.4 1268=92, 1269/2.8=82...(9) HG3 GLU 97 + H SER 99 OK 26 52 70 70 4.4-6.0 4.6/7350=23, 3146/3.8=23...(7) HG2 GLN 101 - H SER 99 far 7 45 15 - 4.6-6.8 HG2 GLN 104 - H SER 99 far 0 78 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 6463 from nnoeabs.peaks (7.89, 8.28, 116.30 ppm; 3.78 A): 1 out of 3 assignments used, quality = 0.99: * H ALA 41 + H GLU 40 OK 99 100 100 99 2.6-2.8 4.6=56, 6471/6460=48...(14) H GLN 104 - H SER 99 far 0 88 0 - 8.1-8.5 H SER 106 - H SER 99 far 0 86 0 - 9.7-10.8 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 1 assignment used, quality = 1.00: * H LYS 39 + H ALA 41 OK 100 100 100 100 4.3-4.6 6448/6463=88...(10) 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 2 assignments used, quality = 1.00: * H GLU 40 + H ALA 41 OK 100 100 100 100 2.6-2.8 6463=100, 6460/6471=60...(14) H LEU 43 + H ALA 41 OK 82 99 100 83 4.4-4.5 6496=42, 6495/3.6=32...(7) 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 3 assignments used, quality = 1.00: * HA GLU 40 + H ALA 41 OK 100 100 100 100 3.5-3.6 3.6=100 HB2 SER 130 - H ALA 41 far 0 83 0 - 9.1-11.5 HD2 PRO 81 - H ALA 41 far 0 97 0 - 9.9-11.7 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 2 assignments used, quality = 1.00: * HB2 GLU 40 + H ALA 41 OK 100 100 100 100 3.6-3.8 1.8/6471=78, 1253=74...(25) HB3 LYS 36 - H ALA 41 far 0 92 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 6471 from nnoeabs.peaks (2.04, 7.89, 122.33 ppm; 3.87 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 40 + H ALA 41 OK 100 100 100 100 2.4-2.6 1260=88, 1.8/6470=72...(24) HB2 GLU 44 - H ALA 41 far 0 96 0 - 6.7-7.1 HG3 PRO 81 - H ALA 41 far 0 90 0 - 9.8-12.5 Violated in 0 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 3.6-4.7 1267=100, 3.0/6471=94...(22) HG2 GLU 44 + H ALA 41 OK 76 76 100 100 4.5-5.2 ~9064=64, 9065/2.9=60...(19) HB3 GLN 134 - H ALA 41 far 0 92 0 - 9.5-12.5 HG3 GLN 68 - H ALA 41 far 0 98 0 - 9.9-11.1 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 3.7-4.9 1274=100, 3.0/6471=89...(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 1 assignment used, quality = 1.00: * HA ALA 41 + H ALA 41 OK 100 100 100 100 2.8-2.8 2.9=100 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 2 assignments used, quality = 1.00: * QB ALA 41 + H ALA 41 OK 100 100 100 100 2.0-2.1 3.0=100 HG3 LYS 39 - H ALA 41 far 0 93 0 - 5.8-6.8 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 1 assignment used, quality = 1.00: * H LEU 42 + H ALA 41 OK 100 100 100 100 2.6-2.9 3.5=100 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 2 assignments used, quality = 1.00: H GLU 40 + H ALA 41 OK 99 99 100 100 2.6-2.8 6463=99, 6460/6471=58...(14) * H LEU 43 + H ALA 41 OK 83 100 100 83 4.4-4.5 6496=42, 6495/3.6=32...(7) 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 3.6-3.9 1146=76, 10870/1331=69...(12) 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 3 assignments used, quality = 1.00: H LEU 43 + H LEU 42 OK 99 99 100 100 2.5-2.6 3.9=100 * H GLU 40 + H LEU 42 OK 98 100 100 98 4.0-4.4 6463/3.5=77, 3.6/6479=56...(9) H LEU 69 - H LEU 42 far 0 87 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 6481 from nnoeabs.peaks (3.84, 7.49, 120.97 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 40 + H LEU 42 OK 100 100 100 100 4.1-4.6 6514/6516=86...(13) HB2 SER 130 - H LEU 42 far 8 83 10 - 7.2-9.3 HD2 PRO 81 - H LEU 42 far 0 97 0 - 9.1-10.5 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 2.6-2.9 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 - 8.4-8.6 HA3 GLY 75 - H LEU 42 far 0 99 0 - 9.1-10.1 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 3 assignments used, quality = 1.00: * QB ALA 41 + H LEU 42 OK 100 100 100 100 2.4-2.8 1285=100, 9066/2.8=37...(9) HG3 LYS 39 - H LEU 42 far 0 93 0 - 5.2-6.2 QG2 VAL 77 - H LEU 42 far 0 97 0 - 10.0-10.7 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 1 assignment used, quality = 1.00: * HA LEU 42 + H LEU 42 OK 100 100 100 100 2.9-2.9 2.8=100 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 2 assignments used, quality = 1.00: * HB2 LEU 42 + H LEU 42 OK 100 100 100 100 2.3-2.5 4.0=94, 3.1/1331=51...(9) HG2 LYS 36 - H LEU 42 far 0 100 0 - 7.1-8.1 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 2 assignments used, quality = 1.00: * HB3 LEU 42 + H LEU 42 OK 100 100 100 100 2.6-2.8 4.0=100 HG13 ILE 37 - H LEU 42 far 0 89 0 - 6.0-7.8 Violated in 0 structures by 0.00 A. Peak 6488 from nnoeabs.peaks (1.49, 7.49, 120.97 ppm; 4.64 A increased from 4.37 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 42 + H LEU 42 OK 100 100 100 100 4.4-4.5 4.6=100 HG3 LYS 36 - H LEU 42 far 0 83 0 - 8.3-9.7 HG LEU 69 - H LEU 42 far 0 63 0 - 9.1-9.8 Violated in 0 structures by 0.00 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 4.3-4.4 1323=100, 2.1/1331=79...(8) QD1 ILE 129 - H LEU 42 far 0 99 0 - 9.6-10.2 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 3.8-4.0 1331=100, 1332/2.8=79...(9) 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 3 assignments used, quality = 1.00: * H LEU 43 + H LEU 42 OK 100 100 100 100 2.5-2.6 3.9=100 H GLU 40 + H LEU 42 OK 96 99 100 97 4.0-4.4 6463/3.5=70, 3.6/6479=49...(9) H LEU 69 - H LEU 42 far 0 97 0 - 9.5-10.3 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 2 assignments used, quality = 1.00: * H GLU 44 + H LEU 42 OK 100 100 100 100 4.0-4.3 6516=100, 6515/3.6=73...(8) H TYR 72 - H LEU 42 far 0 97 0 - 7.4-8.4 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 3.4-3.8 10870/1338=83...(19) 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 3 assignments used, quality = 1.00: * HA GLU 40 + H LEU 43 OK 100 100 100 100 3.5-3.9 1245/6506=66...(15) HB2 SER 130 + H LEU 43 OK 43 83 55 94 4.7-7.1 11805/6510=73...(7) HD2 PRO 81 - H LEU 43 far 0 97 0 - 8.9-10.1 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 = 0.95: * H ALA 41 + H LEU 43 OK 95 100 100 95 4.4-4.5 3.6/6495=54...(8) 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 2 assignments used, quality = 1.00: * HA ALA 41 + H LEU 43 OK 100 100 100 100 4.9-5.2 6515/3.9=95, 2.9/6496=91...(10) HA ALA 46 + H LEU 43 OK 93 93 100 100 6.9-7.1 ~1348=90, ~1348=87...(10) 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 2 assignments used, quality = 1.00: * H LEU 42 + H LEU 43 OK 100 100 100 100 2.5-2.6 3.9=100 H GLN 134 - H LEU 43 far 0 100 0 - 7.4-8.0 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 3.6-3.6 3.6=100 HA ILE 129 - H LEU 43 far 0 93 0 - 9.0-9.9 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 2 assignments used, quality = 1.00: * HB2 LEU 42 + H LEU 43 OK 100 100 100 100 2.2-2.5 4.6=88, 1.8/6501=83...(15) HG2 LYS 36 - H LEU 43 far 0 100 0 - 9.7-10.7 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 2 assignments used, quality = 1.00: * HB3 LEU 42 + H LEU 43 OK 100 100 100 100 3.7-3.9 4.6=76, 1.8/6500=72...(13) HG13 ILE 37 - H LEU 43 far 0 89 0 - 8.4-9.9 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 2 assignments used, quality = 1.00: * HG LEU 42 + H LEU 43 OK 100 100 100 100 3.7-4.0 2.1/1338=92, 2.1/1330=77...(15) HG LEU 69 - H LEU 43 far 0 63 0 - 8.2-8.8 Violated in 0 structures by 0.00 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 4.5-4.6 1330=100, 2.1/1338=91...(16) QD1 ILE 129 - H LEU 43 far 0 99 0 - 8.5-9.1 Violated in 0 structures by 0.00 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 2.5-2.9 1338=100, 2.1/1330=64...(20) Violated in 0 structures by 0.00 A. Peak 6505 from nnoeabs.peaks (3.78, 8.29, 119.18 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 43 + H LEU 43 OK 100 100 100 100 2.7-2.7 2.8=100 HA SER 130 - H LEU 43 far 0 100 0 - 5.0-5.6 HB3 SER 130 - H LEU 43 far 0 99 0 - 6.3-7.4 HA VAL 133 - H LEU 43 far 0 93 0 - 7.5-8.0 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 4 assignments used, quality = 1.00: * HB2 LEU 43 + H LEU 43 OK 100 100 100 100 2.4-3.6 3.9=93, 3.0/6508=61...(20) HD3 LYS 39 - H LEU 43 far 0 93 0 - 5.6-7.7 HG LEU 48 - H LEU 43 far 0 93 0 - 8.6-10.5 HG13 ILE 129 - H LEU 43 far 0 89 0 - 8.7-10.8 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 - 9.7-10.3 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 2 assignments used, quality = 1.00: * HG LEU 43 + H LEU 43 OK 100 100 100 100 2.3-2.7 2.1/6510=63, 2.1/6509=59...(16) HB2 LEU 69 - H LEU 43 far 0 68 0 - 9.1-9.5 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 3.3-4.0 2.1/6508=79, 2.1/6510=75...(25) Violated in 1 structures by 0.00 A. Peak 6510 from nnoeabs.peaks (0.75, 8.29, 119.18 ppm; 3.87 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 43 + H LEU 43 OK 100 100 100 100 2.5-3.8 2.1/6508=74, 2.1/6509=67...(21) QD1 ILE 37 - H LEU 43 far 0 73 0 - 7.6-8.1 HG12 ILE 129 - H LEU 43 far 0 100 0 - 8.8-11.2 QD2 LEU 96 - H LEU 43 far 0 99 0 - 8.9-9.7 QD1 LEU 96 - H LEU 43 far 0 89 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 6511 from nnoeabs.peaks (8.33, 8.29, 119.18 ppm; 5.58 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 44 + H LEU 43 OK 100 100 100 100 2.9-3.0 3.9=100 H TYR 72 - H LEU 43 far 0 97 0 - 8.5-9.3 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 3.2-3.7 1245/6520=52...(10) HB2 SER 130 - H GLU 44 far 0 83 0 - 5.6-7.9 HB2 SER 50 - H GLU 44 far 0 100 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 6515 from nnoeabs.peaks (3.91, 8.33, 119.61 ppm; 4.37 A increased from 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 41 + H GLU 44 OK 100 100 100 100 4.2-4.3 1279=73, 1409/6527=69...(12) HA ALA 46 - H GLU 44 far 0 93 0 - 6.8-6.9 HB3 SER 50 - H GLU 44 far 0 81 0 - 9.7-11.9 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 2 assignments used, quality = 1.00: * H LEU 42 + H GLU 44 OK 100 100 100 100 4.0-4.3 6492=90, 3.6/6515=70...(8) H GLN 134 - H GLU 44 far 0 100 0 - 9.2-10.1 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 5 assignments used, quality = 1.00: * H LEU 43 + H GLU 44 OK 100 100 100 100 2.9-3.0 3.9=100 H GLU 40 + H GLU 44 OK 98 99 100 99 5.4-5.9 2.8/6514=91...(8) H LEU 49 - H GLU 44 far 0 92 0 - 8.8-9.2 H ASP 131 - H GLU 44 far 0 89 0 - 9.6-10.3 H LEU 69 - H GLU 44 far 0 97 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 6519 from nnoeabs.peaks (3.78, 8.33, 119.61 ppm; 4.34 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 43 + H GLU 44 OK 100 100 100 100 3.6-3.6 3.6=100 HA SER 130 - H GLU 44 far 0 100 0 - 6.8-7.3 HB3 SER 130 - H GLU 44 far 0 99 0 - 7.0-8.3 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 3 assignments used, quality = 1.00: * HB2 LEU 43 + H GLU 44 OK 100 100 100 100 2.4-3.1 4.6=70, 6506/3.9=51...(14) HG LEU 48 - H GLU 44 far 0 93 0 - 6.4-8.1 HD3 LYS 39 - H GLU 44 far 0 93 0 - 6.8-9.8 Violated in 0 structures by 0.00 A. Peak 6521 from nnoeabs.peaks (1.28, 8.33, 119.61 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 43 + H GLU 44 OK 100 100 100 100 2.5-3.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 6522 from nnoeabs.peaks (1.64, 8.33, 119.61 ppm; 4.85 A increased from 4.31 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 43 + H GLU 44 OK 100 100 100 100 4.3-4.7 3.0/6520=79, 2.1/6524=78...(10) HB2 LEU 69 - H GLU 44 far 0 68 0 - 10.0-10.3 Violated in 0 structures by 0.00 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 4.2-4.7 2.1/6524=80, 3.2/6520=78...(13) Violated in 0 structures by 0.00 A. Peak 6524 from nnoeabs.peaks (0.75, 8.33, 119.61 ppm; 4.73 A increased from 4.45 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 43 + H GLU 44 OK 100 100 100 100 4.4-4.7 1390=90, 1345/3.6=75...(12) QD1 ILE 37 - H GLU 44 far 0 73 0 - 8.7-9.4 QD2 LEU 96 - H GLU 44 far 0 99 0 - 9.9-10.9 Violated in 0 structures by 0.00 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 2.7-2.8 2.8=100 HA ILE 37 - H GLU 44 far 0 63 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 6526 from nnoeabs.peaks (2.02, 8.33, 119.61 ppm; 3.69 A increased from 3.28 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 44 + H GLU 44 OK 100 100 100 100 3.6-3.6 1402=100, 1.8/6527=82...(13) HB3 GLU 40 - H GLU 44 far 0 96 0 - 5.2-5.7 HB ILE 129 - H GLU 44 far 0 81 0 - 8.6-10.2 HB2 GLN 134 - H GLU 44 far 0 100 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 6527 from nnoeabs.peaks (2.08, 8.33, 119.61 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 44 + H GLU 44 OK 100 100 100 100 2.4-2.7 1410=78, 1.8/1402=62...(15) HB3 LYS 39 - H GLU 44 far 0 100 0 - 6.7-7.7 HG3 GLN 134 - H GLU 44 far 0 100 0 - 7.7-10.2 Violated in 0 structures by 0.00 A. Peak 6528 from nnoeabs.peaks (2.34, 8.33, 119.61 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 44 + H GLU 44 OK 100 100 100 100 2.2-3.3 1417=93, 1.8/1424=79...(16) HG2 GLU 40 - H GLU 44 far 0 76 0 - 5.1-6.8 HG3 GLN 68 - H GLU 44 far 0 93 0 - 8.0-9.0 HB3 GLN 134 - H GLU 44 far 0 99 0 - 8.1-10.9 Violated in 0 structures by 0.00 A. Peak 6529 from nnoeabs.peaks (2.51, 8.33, 119.61 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 44 + H GLU 44 OK 100 100 100 100 2.2-2.8 1424=100, 1.8/6528=68...(16) Violated in 0 structures by 0.00 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 2.9-3.0 3.4=100 Violated in 0 structures by 0.00 A. Peak 6531 from nnoeabs.peaks (8.54, 8.33, 119.61 ppm; 4.31 A increased from 3.83 A): 1 out of 1 assignment used, quality = 0.99: * H ALA 46 + H GLU 44 OK 99 100 100 99 4.0-4.2 6551=61, 3.1/9132=56...(11) Violated in 0 structures by 0.00 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 3 assignments used, quality = 1.00: * HA ALA 41 + H CYS 45 OK 100 100 100 100 4.5-5.0 1409/1416=82...(12) HA ALA 46 + H CYS 45 OK 93 93 100 100 5.2-5.3 2.1/9152=92, 3.6/6547=72...(11) HB3 SER 50 - H CYS 45 far 0 81 0 - 9.1-11.2 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 3.5-3.7 1294=100, 1295/3.5=95...(10) Violated in 0 structures by 0.00 A. Peak 6535 from nnoeabs.peaks (8.29, 7.69, 120.85 ppm; 4.71 A increased from 4.43 A): 1 out of 4 assignments used, quality = 0.85: * H LEU 43 + H CYS 45 OK 85 100 100 85 4.5-4.6 3.6/1294=38, ~6550=35...(8) H LEU 49 - H CYS 45 far 0 92 0 - 6.8-7.2 H LEU 69 - H CYS 45 far 0 97 0 - 7.1-7.7 H GLU 40 - H CYS 45 far 0 99 0 - 7.9-8.2 Violated in 0 structures by 0.00 A. Peak 6537 from nnoeabs.peaks (8.33, 7.69, 120.85 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 44 + H CYS 45 OK 100 100 100 100 2.9-3.0 3.4=100 H TYR 72 - H CYS 45 far 0 97 0 - 7.9-8.7 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 3.6-3.6 3.6=100 HA ILE 37 - H CYS 45 far 0 63 0 - 8.6-9.2 HB THR 65 - H CYS 45 far 0 89 0 - 9.4-10.1 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 3 assignments used, quality = 1.00: * HB2 GLU 44 + H CYS 45 OK 100 100 100 100 3.2-3.5 1408=82, 1.8/1416=74...(18) HB3 GLU 40 - H CYS 45 far 0 96 0 - 7.4-8.0 HB ILE 129 - H CYS 45 far 0 81 0 - 8.2-9.7 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 3 assignments used, quality = 1.00: * HB3 GLU 44 + H CYS 45 OK 100 100 100 100 2.3-3.9 1416=100, 1.8/6539=78...(20) HB3 LYS 39 - H CYS 45 far 0 100 0 - 9.3-10.0 HB VAL 126 - H CYS 45 far 0 65 0 - 9.7-10.4 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 3 assignments used, quality = 1.00: * HG2 GLU 44 + H CYS 45 OK 100 100 100 100 1.7-4.6 1423=100, 1.8/1430=100...(16) HG3 GLN 68 + H CYS 45 OK 82 93 100 88 5.1-6.2 9549/9142=40, ~9158=23...(9) HG2 GLU 40 - H CYS 45 far 0 76 0 - 7.1-9.4 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 3 assignments used, quality = 1.00: * HA CYS 45 + H CYS 45 OK 100 100 100 100 2.8-2.8 2.8=100 HA LEU 48 - H CYS 45 far 0 95 0 - 7.2-7.5 HA LEU 49 - H CYS 45 far 0 92 0 - 9.4-9.9 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 4 assignments used, quality = 1.00: * HB2 CYS 45 + H CYS 45 OK 100 100 100 100 2.2-2.7 3.5=100 HE2 LYS 39 - H CYS 45 far 0 97 0 - 7.3-10.9 HG CYS 73 - H CYS 45 far 0 99 0 - 7.4-8.3 HE3 LYS 39 - H CYS 45 far 0 92 0 - 8.8-11.9 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 2 assignments used, quality = 1.00: * HB3 CYS 45 + H CYS 45 OK 100 100 100 100 3.5-3.6 3.5=100 HB3 TYR 76 - H CYS 45 far 0 100 0 - 8.8-9.7 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 1 assignment used, quality = 1.00: * H ALA 46 + H CYS 45 OK 100 100 100 100 2.5-2.7 3.2=100 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 2 assignments used, quality = 0.99: * H ASP 47 + H CYS 45 OK 99 100 100 99 4.0-4.1 6564=76, 6563/3.6=72...(8) H LEU 70 - H CYS 45 far 0 99 0 - 9.2-9.6 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): 1 out of 6 assignments used, quality = 1.00: * HA LEU 43 + H ALA 46 OK 100 100 100 100 3.2-3.5 1348/3.1=76, 3.6/6531=64...(12) HB3 SER 130 - H ALA 46 far 5 99 5 - 5.1-6.9 HA SER 130 - H ALA 46 far 0 100 0 - 5.7-6.4 HB2 SER 99 - H HIS 5 far 0 68 0 - 7.6-55.9 HB3 SER 9 - H HIS 5 far 0 63 0 - 8.8-17.5 HB3 SER 130 - H HIS 5 far 0 90 0 - 9.0-64.7 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 4.0-4.2 6531=100, 9132/3.1=74...(11) H TYR 72 - H ALA 46 far 0 97 0 - 7.9-8.5 H GLY 17 - H HIS 5 far 0 84 0 - 8.8-39.7 H LYS 19 - H HIS 5 far 0 80 0 - 9.6-42.4 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 1 assignment used, quality = 1.00: * H CYS 45 + H ALA 46 OK 100 100 100 100 2.5-2.7 3.2=100 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 3 assignments used, quality = 1.00: * HA CYS 45 + H ALA 46 OK 100 100 100 100 3.5-3.5 3.6=100 HA LEU 48 - H ALA 46 far 0 95 0 - 6.8-7.1 HA LEU 49 - H ALA 46 far 0 92 0 - 8.1-8.5 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 8 assignments used, quality = 0.99: * HB2 CYS 45 + H ALA 46 OK 99 100 100 99 2.6-3.7 4.4=92, 11062/11083=54...(8) HG CYS 73 - H ALA 46 far 0 99 0 - 6.0-6.7 HE2 LYS 39 - H ALA 46 far 0 97 0 - 7.5-10.4 HD2 ARG 135 - H HIS 5 far 0 92 0 - 8.2-71.5 HE3 LYS 39 - H ALA 46 far 0 92 0 - 8.7-11.5 HB3 ASN 116 - H HIS 5 far 0 89 0 - 8.7-58.7 HE2 LYS 39 - H HIS 5 far 0 87 0 - 9.4-67.7 HE3 LYS 39 - H HIS 5 far 0 81 0 - 9.6-68.8 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 8 assignments used, quality = 1.00: * HB3 CYS 45 + H ALA 46 OK 100 100 100 100 3.6-4.1 4.4=100 HB2 HIS 4 + H HIS 5 OK 60 61 100 99 2.3-4.6 4.6=99 HB2 HIS 6 - H HIS 5 poor 19 63 30 - 4.1-7.5 HB3 HIS 3 - H HIS 5 far 10 68 15 - 2.8-7.8 HB2 HIS 7 - H HIS 5 far 4 74 5 - 5.2-10.3 HB3 HIS 7 - H HIS 5 far 3 68 5 - 4.8-10.8 HB3 TYR 76 - H ALA 46 far 0 100 0 - 8.7-9.4 HB2 HIS 8 - H HIS 5 far 0 92 0 - 9.4-13.0 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 2.8-2.9 2.9=100 HA2 GLY 2 - H HIS 5 far 0 93 0 - 5.0-10.1 HA3 GLY 2 - H HIS 5 far 0 93 0 - 5.6-9.9 HA ALA 41 - H ALA 46 far 0 93 0 - 6.8-7.1 HB3 SER 50 - H ALA 46 far 0 99 0 - 7.1-9.1 HB3 SER 50 - H HIS 5 far 0 90 0 - 8.1-63.2 HA LEU 70 - H ALA 46 far 0 93 0 - 9.5-9.9 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 2 assignments used, quality = 1.00: * QB ALA 46 + H ALA 46 OK 100 100 100 100 2.1-2.1 3.1=100 QB ALA 21 - H HIS 5 far 0 93 0 - 7.2-37.6 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 3 assignments used, quality = 1.00: * H ASP 47 + H ALA 46 OK 100 100 100 100 2.5-2.7 4.3=100 H LEU 70 - H ALA 46 far 0 99 0 - 8.4-8.7 H VAL 132 - H HIS 5 far 0 81 0 - 9.7-65.7 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 4.1-4.4 6579/4.3=57, 1436/3.6=48...(7) H SER 130 - H ALA 46 far 0 97 0 - 5.9-7.0 H CYS 125 - H HIS 5 far 0 93 0 - 7.7-59.2 H ALA 52 - H ALA 46 far 0 89 0 - 9.6-10.1 H SER 130 - H HIS 5 far 0 88 0 - 9.9-62.5 Violated in 1 structures by 0.00 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 3 assignments used, quality = 1.00: * HA LEU 43 + H ASP 47 OK 100 100 100 100 4.1-4.6 1348/6568=95...(5) HB3 SER 130 + H ASP 47 OK 98 99 100 99 5.0-6.5 10508/6568=91...(8) HA SER 130 + H ASP 47 OK 68 100 70 98 6.4-7.1 11864/6568=73...(8) 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 2 assignments used, quality = 0.99: * HA GLU 44 + H ASP 47 OK 99 100 100 99 3.4-3.8 1398=65, 1400/6571=63...(9) HB THR 65 - H ASP 47 far 0 89 0 - 8.5-8.9 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 4.0-4.1 6547=100, 3.6/6563=82...(8) H LEU 53 - H ASP 47 far 0 65 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 6565 from nnoeabs.peaks (4.12, 8.46, 118.99 ppm; 5.47 A): 2 out of 3 assignments used, quality = 1.00: * HA CYS 45 + H ASP 47 OK 100 100 100 100 3.9-4.0 2.8/6547=79...(10) HA LEU 48 + H ASP 47 OK 94 95 100 100 5.0-5.1 2.9/6579=97, 3.6/6573=71...(8) HA LEU 49 - H ASP 47 far 0 92 0 - 7.1-7.4 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 2 assignments used, quality = 1.00: * H ALA 46 + H ASP 47 OK 100 100 100 100 2.5-2.7 4.3=100 H HIS 4 - H ASP 47 far 0 95 0 - 9.1-66.1 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 4 assignments used, quality = 1.00: * HA ALA 46 + H ASP 47 OK 100 100 100 100 3.5-3.5 3.6=100 HB3 SER 50 + H ASP 47 OK 68 99 70 99 5.2-7.4 1602/2.9=73, ~1469=59...(8) HA ALA 41 - H ASP 47 far 0 93 0 - 8.3-8.6 HA3 GLY 2 - H ASP 47 far 0 100 0 - 9.5-71.6 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 1 assignment used, quality = 1.00: * QB ALA 46 + H ASP 47 OK 100 100 100 100 2.9-3.0 1462=97, 10901/2.9=35...(18) 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 2 assignments used, quality = 1.00: * HA ASP 47 + H ASP 47 OK 100 100 100 100 2.9-2.9 2.9=100 HA LEU 69 - H ASP 47 far 0 96 0 - 7.3-7.6 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 = 0.99: * HB2 ASP 47 + H ASP 47 OK 99 100 100 99 2.5-3.3 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 1 assignment used, quality = 0.98: * HB3 ASP 47 + H ASP 47 OK 98 100 100 98 2.1-2.6 1478=79, 1.8/6570=68...(7) 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 3 assignments used, quality = 1.00: * H LEU 48 + H ASP 47 OK 100 100 100 100 2.4-2.5 3.6=100 H SER 130 - H ASP 47 far 0 97 0 - 6.4-7.4 H ALA 52 - H ASP 47 far 0 89 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. Peak 6573 from nnoeabs.peaks (8.30, 8.46, 118.99 ppm; 5.00 A increased from 4.70 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 49 + H ASP 47 OK 100 100 100 100 4.5-4.8 6594=89, 6589/6579=82...(19) H LEU 43 - H ASP 47 far 0 92 0 - 6.1-6.5 H LEU 69 - H ASP 47 far 0 100 0 - 8.3-8.6 H VAL 126 - H ASP 47 far 0 96 0 - 9.2-9.5 H GLU 40 - H ASP 47 far 0 78 0 - 10.0-10.5 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; 4.78 A increased from 4.50 A): 1 out of 2 assignments used, quality = 0.99: * HA GLU 44 + H LEU 48 OK 99 100 100 99 4.6-4.9 1400/6582=71...(6) HB THR 65 - H LEU 48 far 0 89 0 - 6.8-7.1 Violated in 1 structures by 0.00 A. Peak 6576 from nnoeabs.peaks (4.12, 8.04, 122.99 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: * HA CYS 45 + H LEU 48 OK 98 100 100 98 3.2-3.5 1438/6585=44, 1436=43...(13) HA LEU 48 + H LEU 48 OK 95 95 100 100 2.7-2.8 2.9=100 HA LEU 49 - H LEU 48 far 0 92 0 - 5.5-5.7 HA ALA 52 - H LEU 48 far 0 97 0 - 8.4-9.0 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 2 assignments used, quality = 1.00: * H ALA 46 + H LEU 48 OK 100 100 100 100 4.1-4.4 6560=100, 4.3/6579=98...(7) H HIS 4 - H LEU 48 far 0 95 0 - 8.8-65.3 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 4 assignments used, quality = 1.00: * HA ALA 46 + H LEU 48 OK 100 100 100 100 4.3-4.6 3.6/6579=83, 2.9/6560=80...(12) HB3 SER 50 + H LEU 48 OK 67 99 70 96 5.1-7.4 1602/3.6=65, 3.9/6590=62...(8) HA ALA 41 - H LEU 48 far 0 93 0 - 9.2-9.7 HA3 GLY 2 - H LEU 48 far 0 100 0 - 9.6-70.8 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 1 assignment used, quality = 1.00: * H ASP 47 + H LEU 48 OK 100 100 100 100 2.4-2.5 3.6=95, 6571/6582=46...(17) 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 2 assignments used, quality = 1.00: * HA ASP 47 + H LEU 48 OK 100 100 100 100 3.5-3.5 3.6=100 HA LEU 69 - H LEU 48 far 0 96 0 - 7.8-8.2 Violated in 0 structures by 0.00 A. Peak 6581 from nnoeabs.peaks (2.72, 8.04, 122.99 ppm; 4.02 A increased from 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 47 + H LEU 48 OK 100 100 100 100 2.8-4.0 1476=94, 1.8/6582=81...(7) Violated in 0 structures by 0.00 A. Peak 6582 from nnoeabs.peaks (2.84, 8.04, 122.99 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.99: * HB3 ASP 47 + H LEU 48 OK 99 100 100 99 2.6-3.3 1482=77, 1.8/6581=68...(9) Violated in 0 structures by 0.00 A. Peak 6583 from nnoeabs.peaks (4.11, 8.04, 122.99 ppm; 3.73 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 48 + H LEU 48 OK 100 100 100 100 2.7-2.8 2.9=100 HA CYS 45 + H LEU 48 OK 93 95 100 98 3.2-3.5 1438/6585=41...(13) HA LEU 49 - H LEU 48 far 0 100 0 - 5.5-5.7 HA ALA 52 - H LEU 48 far 0 76 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 6584 from nnoeabs.peaks (1.78, 8.04, 122.99 ppm; 3.70 A increased from 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 48 + H LEU 48 OK 100 100 100 100 3.5-3.6 3.9=85, 1.8/6585=84...(22) Violated in 0 structures by 0.00 A. Peak 6585 from nnoeabs.peaks (1.89, 8.04, 122.99 ppm; 3.26 A): 1 out of 3 assignments used, quality = 0.99: * HB3 LEU 48 + H LEU 48 OK 99 100 100 99 2.2-2.6 3.9=58, 1.8/6584=58...(25) HB3 LEU 49 - H LEU 48 far 0 78 0 - 6.3-6.6 HB3 LEU 123 - H LEU 48 far 0 85 0 - 8.9-10.6 Violated in 0 structures by 0.00 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 2.2-3.1 1512=90, 3.0/6585=61...(22) HB2 LEU 43 - H LEU 48 far 0 93 0 - 7.2-8.2 Violated in 0 structures by 0.00 A. Peak 6587 from nnoeabs.peaks (0.91, 8.04, 122.99 ppm; 3.83 A): 3 out of 6 assignments used, quality = 1.00: * QD2 LEU 48 + H LEU 48 OK 100 100 100 100 3.0-4.2 2.1/6586=75, 3.1/6585=65...(21) QD1 LEU 48 + H LEU 48 OK 92 92 100 100 3.4-3.9 2.1/6586=75, 3.1/6585=66...(25) QD1 LEU 49 + H LEU 48 OK 85 100 95 90 3.6-4.5 4.7/6589=39, 3.2/9198=31...(15) QD1 LEU 123 - H LEU 48 far 0 85 0 - 7.4-8.0 QD2 LEU 123 - H LEU 48 far 0 73 0 - 8.8-9.5 QD1 LEU 62 - H LEU 48 far 0 100 0 - 9.5-10.1 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 6 assignments used, quality = 1.00: * QD1 LEU 48 + H LEU 48 OK 100 100 100 100 3.4-3.9 2.1/6586=75, 1528=69...(25) QD2 LEU 48 + H LEU 48 OK 92 92 100 100 3.0-4.2 2.1/6586=75, 3.1/6585=65...(21) QD1 LEU 49 + H LEU 48 OK 82 97 95 90 3.6-4.5 4.7/6589=39, 3.2/9198=31...(16) QD1 LEU 123 - H LEU 48 far 0 100 0 - 7.4-8.0 QG1 VAL 57 - H LEU 48 far 0 71 0 - 9.3-10.1 QD1 LEU 62 - H LEU 48 far 0 97 0 - 9.5-10.1 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 4 assignments used, quality = 1.00: * H LEU 49 + H LEU 48 OK 100 100 100 100 3.0-3.2 6596=79, 6598/6584=38...(20) H LEU 69 - H LEU 48 far 0 100 0 - 7.9-8.4 H LEU 43 - H LEU 48 far 0 92 0 - 8.2-8.5 H VAL 126 - H LEU 48 far 0 96 0 - 9.5-10.1 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 1 assignment used, quality = 1.00: * H SER 50 + H LEU 48 OK 100 100 100 100 4.5-4.8 3.2/6589=83, 1468/3.6=49...(18) 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 4 assignments used, quality = 1.00: HA LEU 48 + H LEU 49 OK 95 95 100 100 3.6-3.6 3.6=100 * HA CYS 45 + H LEU 49 OK 94 100 95 99 4.5-5.1 1436/6589=51...(12) HA LEU 49 + H LEU 49 OK 92 92 100 100 2.7-2.7 2.9=100 HA ALA 52 - H LEU 49 far 0 97 0 - 7.0-7.3 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 2 assignments used, quality = 1.00: * HA ALA 46 + H LEU 49 OK 99 100 100 99 4.0-4.4 1455=73, 3.6/6573=48...(16) HB3 SER 50 + H LEU 49 OK 34 99 40 85 4.8-6.6 4.7/6610=45...(8) 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 4.5-4.8 6573=100, 6579/6589=86...(19) H LEU 70 - H LEU 49 far 0 99 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 6596 from nnoeabs.peaks (8.04, 8.30, 120.94 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 48 + H LEU 49 OK 100 100 100 100 3.0-3.2 6589=100, 6584/6598=45...(20) H ALA 52 - H LEU 49 far 0 89 0 - 4.5-4.8 H SER 130 - H LEU 49 far 0 97 0 - 8.8-9.3 H CYS 125 - H LEU 49 far 0 100 0 - 9.5-10.2 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 4 assignments used, quality = 1.00: * HA LEU 48 + H LEU 49 OK 100 100 100 100 3.6-3.6 3.6=100 HA LEU 49 + H LEU 49 OK 100 100 100 100 2.7-2.7 2.9=100 HA CYS 45 + H LEU 49 OK 94 95 100 99 4.5-5.1 1436/6589=48...(12) HA ALA 52 - H LEU 49 far 0 76 0 - 7.0-7.3 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 2.6-3.1 4.6=72, 6584/6589=60...(22) HB3 LEU 122 - H LEU 49 far 0 95 0 - 7.4-9.9 HG LEU 100 - H LEU 49 far 0 100 0 - 9.4-9.8 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 3 assignments used, quality = 1.00: * HB3 LEU 48 + H LEU 49 OK 100 100 100 100 2.1-2.6 1.8/6598=79, 4.6=76...(27) 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 - 6.7-8.3 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 2 assignments used, quality = 1.00: * HG LEU 48 + H LEU 49 OK 100 100 100 100 4.2-4.7 6586/6589=77...(26) HB2 LEU 43 - H LEU 49 far 0 93 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 6601 from nnoeabs.peaks (0.91, 8.30, 120.94 ppm; 4.53 A): 3 out of 7 assignments used, quality = 1.00: * QD2 LEU 48 + H LEU 49 OK 100 100 100 100 4.2-4.5 2.1/6600=69, 3.1/6598=68...(29) QD1 LEU 49 + H LEU 49 OK 100 100 100 100 1.8-2.4 4.7=90, 2.1/6606=76...(31) QD1 LEU 48 + H LEU 49 OK 92 92 100 100 4.0-4.3 3.1/6598=69, 2.1/6600=69...(30) QD1 LEU 123 - H LEU 49 far 0 85 0 - 5.9-6.6 QD1 LEU 62 - H LEU 49 far 0 100 0 - 7.0-7.8 QD2 LEU 123 - H LEU 49 far 0 73 0 - 7.4-8.0 QG2 VAL 63 - H LEU 49 far 0 100 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 6602 from nnoeabs.peaks (0.92, 8.30, 120.94 ppm; 4.51 A): 3 out of 7 assignments used, quality = 1.00: * QD1 LEU 48 + H LEU 49 OK 100 100 100 100 4.0-4.3 1535=71, 3.1/6598=68...(30) QD1 LEU 49 + H LEU 49 OK 97 97 100 100 1.8-2.4 4.7=89, 2.1/6606=75...(30) QD2 LEU 48 + H LEU 49 OK 92 92 100 100 4.2-4.5 2.1/6600=68, 3.1/6598=68...(29) QD1 LEU 123 - H LEU 49 far 0 100 0 - 5.9-6.6 QD1 LEU 62 - H LEU 49 far 0 97 0 - 7.0-7.8 QG1 VAL 57 - H LEU 49 far 0 71 0 - 7.9-8.8 QG2 VAL 63 - H LEU 49 far 0 95 0 - 9.5-9.8 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 4 assignments used, quality = 1.00: * HA LEU 49 + H LEU 49 OK 100 100 100 100 2.7-2.7 2.9=100 HA LEU 48 + H LEU 49 OK 100 100 100 100 3.6-3.6 3.6=100 HA CYS 45 + H LEU 49 OK 91 92 100 99 4.5-5.1 1436/6589=45...(12) HA ALA 52 - H LEU 49 far 0 71 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 6604 from nnoeabs.peaks (1.50, 8.30, 120.94 ppm; 3.79 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 49 + H LEU 49 OK 100 100 100 100 2.3-2.7 3.9=90, 6618/3.2=50...(34) QB ALA 52 - H LEU 49 far 4 87 5 - 4.4-4.8 HG LEU 69 - H LEU 49 far 0 89 0 - 5.3-5.7 HB2 LEU 53 - H LEU 49 far 0 73 0 - 7.4-9.2 HG LEU 42 - H LEU 49 far 0 97 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 6605 from nnoeabs.peaks (1.92, 8.30, 120.94 ppm; 4.04 A): 2 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 2.1-2.6 1.8/6598=73, 4.6=67...(27) HG LEU 53 - H LEU 49 far 0 83 0 - 5.2-8.2 HB3 LEU 123 - H LEU 49 far 0 53 0 - 6.7-8.3 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 2 assignments used, quality = 1.00: * HG LEU 49 + H LEU 49 OK 100 100 100 100 2.5-3.2 1564=87, 3.0/6604=75...(33) HG LEU 123 - H LEU 49 far 0 100 0 - 9.2-10.1 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 8 assignments used, quality = 1.00: * QD2 LEU 49 + H LEU 49 OK 100 100 100 100 3.8-4.2 1573/2.9=68, 2.1/6606=65...(30) QD1 LEU 53 + H LEU 49 OK 57 100 70 82 4.3-5.1 1541/2.9=33, 6621/3.2=31...(10) QD1 LEU 122 - H LEU 49 far 0 97 0 - 5.5-8.6 QD1 LEU 96 - H LEU 49 far 0 71 0 - 6.3-6.7 QD2 LEU 122 - H LEU 49 far 0 97 0 - 7.4-8.7 QG2 ILE 129 - H LEU 49 far 0 71 0 - 8.8-9.6 QD2 LEU 119 - H LEU 49 far 0 100 0 - 9.2-9.9 QG1 VAL 63 - H LEU 49 far 0 93 0 - 9.6-9.8 Violated in 0 structures by 0.00 A. Peak 6608 from nnoeabs.peaks (0.91, 8.30, 120.94 ppm; 4.54 A): 3 out of 7 assignments used, quality = 1.00: * QD1 LEU 49 + H LEU 49 OK 100 100 100 100 1.8-2.4 4.7=91, 2.1/6606=76...(31) QD2 LEU 48 + H LEU 49 OK 100 100 100 100 4.2-4.5 2.1/6600=69, 3.1/6598=69...(29) QD1 LEU 48 + H LEU 49 OK 97 97 100 100 4.0-4.3 3.1/6598=69, 2.1/6600=69...(30) QD1 LEU 123 - H LEU 49 far 0 92 0 - 5.9-6.6 QD1 LEU 62 - H LEU 49 far 0 100 0 - 7.0-7.8 QD2 LEU 123 - H LEU 49 far 0 63 0 - 7.4-8.0 QG2 VAL 63 - H LEU 49 far 0 100 0 - 9.5-9.8 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 3.1-3.2 3.2=100 H HIS 67 - H LEU 49 far 0 100 0 - 8.0-8.4 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 3 assignments used, quality = 0.97: * H SER 51 + H LEU 49 OK 97 100 100 97 3.9-4.4 6631=43, 1491/3.6=32...(20) H ILE 129 - H LEU 49 far 0 85 0 - 9.5-10.5 H ASP 64 - H LEU 49 far 0 71 0 - 9.5-9.7 Violated in 1 structures by 0.00 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 7 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 96 100 100 96 4.7-5.0 1455/3.2=53, 2.1/9213=45...(11) HB2 SER 60 + H SER 60 OK 85 85 100 100 2.2-3.6 4.0=100 HB3 SER 60 + H SER 60 OK 85 85 100 100 2.2-3.6 4.0=100 HB2 SER 107 - H SER 60 lone 0 56 60 1 2.7-6.6 HA3 GLY 2 - H SER 50 far 0 100 0 - 8.4-69.8 HA2 GLY 2 - H SER 50 far 0 100 0 - 9.0-69.8 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 5 assignments used, quality = 1.00: * HA ASP 47 + H SER 50 OK 99 100 100 99 3.6-3.9 1469/3.9=48, 3.6/6590=47...(11) HA ASN 59 + H SER 60 OK 90 90 100 100 3.5-3.5 3.6=100 HA LEU 69 - H SER 50 far 0 96 0 - 9.0-9.6 HA CYS 125 - H SER 50 far 0 96 0 - 9.0-10.0 HA PRO 113 - H SER 60 far 0 52 0 - 9.1-11.6 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 4 assignments used, quality = 1.00: * H LEU 48 + H SER 50 OK 100 100 100 100 4.5-4.8 6590=100, 6589/3.2=93...(18) H ALA 52 + H SER 50 OK 89 89 100 100 4.3-4.7 6645=83, ~6657=46...(22) H CYS 125 - H SER 50 far 0 100 0 - 7.4-8.5 H SER 130 - H SER 50 far 0 97 0 - 7.6-8.3 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 3.6-3.6 3.6=100 * HA LEU 48 + H SER 50 OK 99 100 100 99 4.8-5.1 2.9/6590=62, 1491/3.1=39...(19) HA GLN 104 - H SER 60 far 0 73 0 - 5.4-6.2 HA ALA 52 - H SER 50 far 0 76 0 - 7.1-7.3 HA CYS 45 - H SER 50 far 0 95 0 - 7.1-7.5 HA3 GLY 114 - H SER 60 far 0 82 0 - 9.8-13.8 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 5 assignments used, quality = 1.00: * H LEU 49 + H SER 50 OK 100 100 100 100 3.1-3.2 3.2=100 H ALA 110 - H SER 60 far 14 94 15 - 3.4-6.9 H GLY 111 - H SER 60 far 5 94 5 - 4.2-6.7 H VAL 126 - H SER 50 far 0 96 0 - 5.9-6.8 H LEU 69 - H SER 50 far 0 100 0 - 8.7-9.2 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 3.6-3.6 3.6=100 HA LEU 48 + H SER 50 OK 99 100 100 99 4.8-5.1 2.9/6590=62, 1491/3.1=39...(19) HA GLN 104 - H SER 60 far 0 77 0 - 5.4-6.2 HA ALA 52 - H SER 50 far 0 71 0 - 7.1-7.3 HA CYS 45 - H SER 50 far 0 92 0 - 7.1-7.5 HA3 GLY 114 - H SER 60 far 0 79 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 6618 from nnoeabs.peaks (1.50, 8.66, 113.28 ppm; 4.08 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 49 + H SER 50 OK 100 100 100 100 2.1-2.4 1.8/6619=82, 4.6=69...(31) QB ALA 52 - H SER 50 far 0 87 0 - 4.9-5.4 HB2 LEU 53 - H SER 50 far 0 73 0 - 5.3-7.1 HG LEU 69 - H SER 50 far 0 89 0 - 6.0-6.6 QB ALA 52 - H SER 60 far 0 77 0 - 7.8-8.4 HG LEU 42 - H SER 50 far 0 97 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 6619 from nnoeabs.peaks (1.92, 8.66, 113.28 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 49 + H SER 50 OK 100 100 100 100 2.8-3.4 1.8/6618=69, 4.6=58...(30) HB3 LEU 123 - H SER 50 far 3 53 5 - 4.4-6.1 HG LEU 53 - H SER 50 far 0 83 0 - 4.5-6.2 HB3 LEU 48 - H SER 50 far 0 78 0 - 4.9-5.4 Violated in 0 structures by 0.00 A. Peak 6620 from nnoeabs.peaks (1.57, 8.66, 113.28 ppm; 4.83 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 49 + H SER 50 OK 100 100 100 100 4.6-4.7 3.0/6619=82, 3.0/6618=79...(21) HG LEU 103 - H SER 60 poor 14 80 30 59 5.2-6.1 9364/4.5=31, 9365/4.5=18...(7) HG LEU 123 - H SER 50 far 0 100 0 - 6.4-7.3 HB2 LEU 103 - H SER 60 far 0 93 0 - 8.1-9.0 HB2 LEU 119 - H SER 60 far 0 56 0 - 8.5-9.7 HB2 LEU 119 - H SER 50 far 0 65 0 - 9.5-10.0 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 14 assignments used, quality = 1.00: * QD2 LEU 49 + H SER 50 OK 100 100 100 100 4.4-4.5 3.2/6619=59, 3.2/6618=55...(26) QD1 LEU 53 + H SER 50 OK 99 100 100 99 2.9-4.2 9218/2.9=60...(26) QD1 LEU 103 - H SER 60 far 0 82 0 - 4.7-6.1 QD2 LEU 119 - H SER 60 far 0 93 0 - 5.0-6.0 QD1 LEU 122 - H SER 50 far 0 97 0 - 5.2-8.1 QG1 VAL 63 - H SER 60 far 0 84 0 - 6.2-6.6 QD1 LEU 96 - H SER 50 far 0 71 0 - 6.5-7.2 QD2 LEU 122 - H SER 50 far 0 97 0 - 7.6-8.4 QD1 LEU 122 - H SER 60 far 0 89 0 - 7.7-11.0 QD2 LEU 122 - H SER 60 far 0 89 0 - 8.1-11.2 QD1 LEU 53 - H SER 60 far 0 93 0 - 8.5-10.8 QG2 ILE 129 - H SER 50 far 0 71 0 - 8.6-9.2 QD2 LEU 119 - H SER 50 far 0 100 0 - 9.2-9.6 QD2 LEU 49 - H SER 60 far 0 94 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 6622 from nnoeabs.peaks (0.91, 8.66, 113.28 ppm; 3.98 A increased from 3.75 A): 3 out of 12 assignments used, quality = 1.00: * QD1 LEU 49 + H SER 50 OK 100 100 100 100 3.1-4.1 3.2/6619=59, 3.2/6618=55...(22) QG2 VAL 63 + H SER 60 OK 93 94 100 99 3.9-4.4 ~2020=37, 10967/4.5=37...(18) QD1 LEU 123 + H SER 50 OK 91 92 100 99 3.6-4.1 11874/2.9=66...(21) QD2 LEU 123 - H SER 50 far 0 63 0 - 5.1-5.7 QD1 LEU 62 - H SER 60 far 0 94 0 - 5.6-6.2 QG2 VAL 112 - H SER 60 far 0 88 0 - 6.0-7.2 QD2 LEU 48 - H SER 50 far 0 100 0 - 6.0-6.3 QD1 LEU 48 - H SER 50 far 0 97 0 - 6.4-6.7 QD1 LEU 62 - H SER 50 far 0 100 0 - 6.7-7.5 QD1 LEU 119 - H SER 60 far 0 52 0 - 6.8-8.0 QG1 VAL 118 - H SER 60 far 0 85 0 - 7.6-9.0 QG1 VAL 118 - H SER 50 far 0 95 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 6623 from nnoeabs.peaks (4.00, 8.66, 113.28 ppm; 3.30 A): 2 out of 11 assignments used, quality = 1.00: * HA SER 50 + H SER 50 OK 100 100 100 100 2.7-2.8 2.9=100 HA SER 60 + H SER 60 OK 85 85 100 100 2.8-2.8 2.8=100 HA GLN 127 - H SER 50 far 0 65 0 - 4.5-5.6 HB3 SER 51 - H SER 50 far 0 92 0 - 4.9-6.3 HA LEU 103 - H SER 60 far 0 73 0 - 7.7-8.8 HA THR 65 - H SER 50 far 0 68 0 - 8.3-8.8 HA LEU 119 - H SER 60 far 0 52 0 - 8.5-9.6 HB3 SER 106 - H SER 60 far 0 77 0 - 8.8-12.3 HA LEU 119 - H SER 50 far 0 60 0 - 9.2-9.7 HB2 SER 106 - H SER 60 far 0 49 0 - 9.4-11.2 HB2 SER 124 - H SER 50 far 0 100 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 6624 from nnoeabs.peaks (3.84, 8.66, 113.28 ppm; 4.03 A): 2 out of 6 assignments used, quality = 1.00: * HB2 SER 50 + H SER 50 OK 100 100 100 100 2.1-3.5 3.9=100 HA LEU 123 + H SER 50 OK 63 97 85 76 3.7-5.0 1590/2.9=31...(11) HD3 PRO 58 - H SER 60 far 0 77 0 - 6.2-6.5 HB2 SER 130 - H SER 50 far 0 90 0 - 6.4-9.0 HA LEU 62 - H SER 60 far 0 91 0 - 6.9-7.2 HA LEU 62 - H SER 50 far 0 99 0 - 7.5-8.0 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 6 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 90 99 95 96 4.7-5.0 1455/3.2=52, 2.1/9213=44...(11) HB2 SER 60 + H SER 60 OK 73 73 100 100 2.2-3.6 4.0=100 HB3 SER 60 + H SER 60 OK 73 73 100 100 2.2-3.6 4.0=100 HA3 GLY 2 - H SER 50 far 0 100 0 - 8.4-69.8 HA2 GLY 2 - H SER 50 far 0 100 0 - 9.0-69.8 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 4 assignments used, quality = 1.00: * H SER 51 + H SER 50 OK 100 100 100 100 2.7-3.0 3.1=100 H ASP 64 - H SER 60 far 0 61 0 - 6.2-6.7 H ILE 129 - H SER 50 far 0 85 0 - 8.0-9.0 H VAL 57 - H SER 60 far 0 66 0 - 8.0-8.4 Violated in 0 structures by 0.00 A. Peak 6627 from nnoeabs.peaks (8.03, 8.66, 113.28 ppm; 4.82 A increased from 4.06 A): 2 out of 6 assignments used, quality = 1.00: * H ALA 52 + H SER 50 OK 100 100 100 100 4.3-4.7 6645=82, ~6657=36...(22) H LEU 48 + H SER 50 OK 89 89 100 100 4.5-4.8 6590=83, 6589/3.2=69...(18) H CYS 125 - H SER 50 far 0 92 0 - 7.4-8.5 H SER 130 - H SER 50 far 0 99 0 - 7.6-8.3 H ILE 129 - H SER 50 far 0 68 0 - 8.0-9.0 H VAL 57 - H SER 60 far 0 68 0 - 8.0-8.4 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 2 assignments used, quality = 0.98: * HA ASP 47 + H SER 51 OK 98 100 100 98 4.2-4.5 1469/1601=67...(7) HA CYS 125 - H SER 94 far 0 87 0 - 7.6-8.2 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 3.5-3.7 1615/1616=78...(19) HA LEU 49 + H SER 51 OK 100 100 100 100 3.9-4.3 2.9/6610=82, ~6619=47...(15) HA ALA 52 + H SER 51 OK 73 76 100 96 5.1-5.3 3.6/6658=70, 2.1/9224=43...(6) HA PHE 89 - H SER 94 far 0 66 0 - 6.3-7.2 HA CYS 45 - H SER 51 far 0 95 0 - 7.6-8.0 HA LEU 98 - H SER 94 far 0 94 0 - 8.4-9.2 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 6 assignments used, quality = 1.00: * H LEU 49 + H SER 51 OK 100 100 100 100 3.9-4.4 6610=100, 3.6/1491=41...(20) H LEU 96 + H SER 94 OK 52 54 100 96 4.1-4.3 3.8/9226=49, 2908/3.6=39...(15) H SER 99 - H SER 94 far 0 88 0 - 8.0-8.8 H VAL 126 - H SER 51 far 0 96 0 - 8.7-9.7 H VAL 126 - H SER 94 far 0 87 0 - 9.0-9.4 H GLY 17 - H SER 94 far 0 79 0 - 9.5-40.9 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 3.5-3.7 1615/1616=79...(19) * HA LEU 49 + H SER 51 OK 100 100 100 100 3.9-4.3 2.9/6610=82, ~6619=47...(15) HA ALA 52 + H SER 51 OK 68 71 100 96 5.1-5.3 3.6/6658=71, 2.1/9224=44...(6) HA PHE 89 - H SER 94 far 0 71 0 - 6.3-7.2 HA CYS 45 - H SER 51 far 0 92 0 - 7.6-8.0 HA LEU 98 - H SER 94 far 0 94 0 - 8.4-9.2 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 2.7-3.0 3.1=100 H PHE 89 - H SER 94 far 0 57 0 - 7.6-7.9 H HIS 8 - H SER 94 far 0 94 0 - 8.8-47.5 Violated in 0 structures by 0.00 A. Peak 6634 from nnoeabs.peaks (4.00, 7.98, 115.88 ppm; 4.48 A): 4 out of 8 assignments used, quality = 1.00: * HA SER 50 + H SER 51 OK 100 100 100 100 3.4-3.5 3.6=100 HB3 SER 51 + H SER 51 OK 92 92 100 100 2.3-3.6 3.8=100 HA GLU 91 + H SER 94 OK 77 81 100 95 4.1-4.5 3.6/7259=58, 2857=47...(7) HB3 SER 94 + H SER 94 OK 64 64 100 100 2.5-3.6 3.6=100 HA LYS 95 - H SER 94 far 0 66 0 - 5.3-5.4 HA GLN 127 - H SER 51 far 0 65 0 - 6.5-7.8 HA THR 65 - H SER 51 far 0 68 0 - 9.1-9.7 HA LEU 119 - H SER 51 far 0 60 0 - 10.0-11.0 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 3.5-4.2 4.7=100 HA LEU 123 - H SER 51 far 0 97 0 - 5.8-7.2 HA LEU 62 - H SER 51 far 0 99 0 - 7.7-8.3 HB2 SER 130 - H SER 51 far 0 90 0 - 8.3-10.5 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 7 assignments used, quality = 1.00: * HB3 SER 50 + H SER 51 OK 97 100 100 97 2.9-4.3 1.8/1601=68, 4.7=66...(16) HB2 SER 94 + H SER 94 OK 84 84 100 100 2.1-2.6 3.6=100 HA ALA 46 - H SER 51 far 0 99 0 - 6.8-7.4 HA LEU 70 - H SER 94 far 0 92 0 - 7.2-7.7 HA3 GLY 2 - H SER 51 far 0 100 0 - 7.3-71.3 HA2 GLY 2 - H SER 51 far 0 100 0 - 7.7-71.4 HA LYS 86 - H SER 94 far 0 94 0 - 8.8-9.8 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 4 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 2.7-2.8 2.9=100 HA ALA 88 - H SER 94 far 0 85 0 - 7.6-8.2 HA SER 124 - H SER 51 far 0 73 0 - 9.3-10.7 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 8 assignments used, quality = 0.98: * HB2 SER 51 + H SER 51 OK 97 100 100 97 2.2-2.8 1616=89, 1620/3.1=43...(8) HB3 SER 94 + H SER 94 OK 40 49 100 81 2.5-3.6 3.6=78, 7297/3.4=12 HA GLN 127 - H SER 51 far 0 65 0 - 6.5-7.8 HA3 GLY 14 - H SER 94 far 0 66 0 - 8.7-40.2 HA2 GLY 17 - H SER 94 far 0 75 0 - 8.7-40.9 HA3 GLY 17 - H SER 94 far 0 75 0 - 8.9-39.8 HA THR 65 - H SER 51 far 0 63 0 - 9.1-9.7 HA2 GLY 14 - H SER 94 far 0 64 0 - 9.6-39.1 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 8 assignments used, quality = 1.00: * HB3 SER 51 + H SER 51 OK 99 100 100 99 2.3-3.6 3.8=90, 1.8/1616=80...(8) HA SER 50 + H SER 51 OK 92 92 100 100 3.4-3.5 3.6=100 HB3 SER 94 + H SER 94 OK 90 90 100 100 2.5-3.6 3.6=100 HA GLU 91 + H SER 94 OK 44 94 55 85 4.1-4.5 3.6/7259=40, 2857=32...(7) HA GLN 127 - H SER 51 far 0 96 0 - 6.5-7.8 HA2 GLY 17 - H SER 94 far 0 73 0 - 8.7-40.9 HA3 GLY 17 - H SER 94 far 0 73 0 - 8.9-39.8 HA THR 65 - H SER 51 far 0 97 0 - 9.1-9.7 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 6 assignments used, quality = 1.00: * H ALA 52 + H SER 51 OK 100 100 100 100 2.4-2.7 3.1=100 H LEU 48 + H SER 51 OK 89 89 100 100 4.7-5.0 4.0/6610=78, 3.6/6629=69...(22) H ILE 129 - H SER 94 far 0 59 0 - 8.4-8.8 H CYS 125 - H SER 94 far 0 82 0 - 9.6-10.2 H SER 130 - H SER 51 far 0 99 0 - 9.8-10.8 H CYS 125 - H SER 51 far 0 92 0 - 9.9-11.0 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 98 100 100 98 3.4-4.0 6658=70, 6657/3.6=46...(15) H LYS 95 + H SER 94 OK 90 90 100 100 2.7-2.9 3.4=100 H LEU 98 - H SER 94 far 0 69 0 - 6.0-6.6 H CYS 45 - H SER 51 far 0 65 0 - 9.4-9.9 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 4 assignments used, quality = 1.00: HA LEU 49 + H ALA 52 OK 99 100 100 99 3.2-3.6 1544=46, 1631/2.9=37...(22) * HA LEU 48 + H ALA 52 OK 97 100 100 97 3.7-4.4 3.8/9227=49...(12) HA ALA 52 + H ALA 52 OK 76 76 100 100 2.8-2.9 2.9=100 HA CYS 45 - H ALA 52 far 0 95 0 - 8.2-8.9 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 4 assignments used, quality = 1.00: * HA LEU 49 + H ALA 52 OK 99 100 100 99 3.2-3.6 1544=46, 1631/2.9=37...(22) HA LEU 48 + H ALA 52 OK 97 100 100 97 3.7-4.4 3.8/9227=49...(12) HA ALA 52 + H ALA 52 OK 71 71 100 100 2.8-2.9 2.9=100 HA CYS 45 - H ALA 52 far 0 92 0 - 8.2-8.9 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 4.3-4.7 6627=53, ~6657=42...(22) 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 5 assignments used, quality = 1.00: * HA SER 50 + H ALA 52 OK 100 100 100 100 4.5-5.1 6657/3.3=73, 2.9/6645=68...(13) HB3 SER 51 + H ALA 52 OK 92 92 100 100 2.9-3.7 4.6=100 HA THR 65 - H ALA 52 far 0 68 0 - 8.3-9.0 HA GLN 127 - H ALA 52 far 0 65 0 - 8.8-9.9 HA LEU 119 - H ALA 52 far 0 60 0 - 9.1-10.2 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 2 assignments used, quality = 1.00: * H SER 51 + H ALA 52 OK 100 100 100 100 2.4-2.7 3.1=100 H VAL 57 - H ALA 52 far 0 76 0 - 8.2-9.0 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 1 assignment used, quality = 1.00: * HA SER 51 + H ALA 52 OK 100 100 100 100 3.5-3.6 3.6=100 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 3 assignments used, quality = 1.00: * HB2 SER 51 + H ALA 52 OK 100 100 100 100 2.2-2.9 1620=100, 1616/3.1=70...(12) HA THR 65 - H ALA 52 far 0 63 0 - 8.3-9.0 HA GLN 127 - H ALA 52 far 0 65 0 - 8.8-9.9 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 4 assignments used, quality = 1.00: * HB3 SER 51 + H ALA 52 OK 100 100 100 100 2.9-3.7 1.8/1620=91, 4.6=89...(13) HA SER 50 + H ALA 52 OK 81 92 90 98 4.5-5.1 2.9/6645=52, 6657/3.3=48...(13) HA THR 65 - H ALA 52 far 0 97 0 - 8.3-9.0 HA GLN 127 - H ALA 52 far 0 96 0 - 8.8-9.9 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 4 assignments used, quality = 1.00: * HA ALA 52 + H ALA 52 OK 100 100 100 100 2.8-2.9 2.9=100 HA LEU 48 + H ALA 52 OK 71 76 100 94 3.7-4.4 3.8/9227=50...(12) HA LEU 49 + H ALA 52 OK 69 71 100 97 3.2-3.6 3.6/6645=37, 1544=27...(21) HA CYS 45 - H ALA 52 far 0 97 0 - 8.2-8.9 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 - 5.3-5.7 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 2.4-2.8 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): 1 out of 2 assignments used, quality = 1.00: * H THR 54 + H ALA 52 OK 100 100 100 100 4.0-4.2 6673=100, 6675/3.3=96...(10) HE22 GLN 61 - H ALA 52 far 10 97 10 - 4.9-8.7 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 96 100 100 96 3.6-4.2 4.8/6657=51...(10) HA ALA 52 + H LEU 53 OK 71 71 100 100 3.4-3.5 3.6=100 HA LEU 48 - H LEU 53 far 0 100 0 - 5.9-6.8 HA3 GLY 114 - H LEU 53 far 0 89 0 - 8.2-11.7 HA CYS 45 - H LEU 53 far 0 92 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 6657 from nnoeabs.peaks (4.00, 7.71, 113.84 ppm; 4.60 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 50 + H LEU 53 OK 100 100 100 100 3.6-4.0 9218/6667=65...(13) HB3 SER 51 - H LEU 53 far 5 92 5 - 5.0-5.7 HA LEU 119 - H LEU 53 far 0 60 0 - 7.0-8.0 HA GLN 127 - H LEU 53 far 0 65 0 - 8.6-9.4 HA THR 65 - H LEU 53 far 0 68 0 - 9.3-10.4 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 2 assignments used, quality = 0.99: * H SER 51 + H LEU 53 OK 99 100 100 99 3.4-4.0 3.6/6657=58, 6641=52...(15) H VAL 57 - H LEU 53 far 0 76 0 - 7.3-8.0 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 2 assignments used, quality = 1.00: * HA SER 51 + H LEU 53 OK 100 100 100 100 4.0-4.3 3.0/6658=81, 2.9/9219=73...(9) HA SER 124 - H LEU 53 far 0 73 0 - 9.2-10.2 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 4 assignments used, quality = 1.00: * H ALA 52 + H LEU 53 OK 100 100 100 100 2.4-2.8 3.3=100 H VAL 57 - H LEU 53 far 0 78 0 - 7.3-8.0 H LEU 48 - H LEU 53 far 0 89 0 - 7.6-8.2 H CYS 125 - H LEU 53 far 0 92 0 - 9.4-10.3 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 3.4-3.5 3.6=100 HA LEU 49 + H LEU 53 OK 59 71 100 84 3.6-4.2 4.8/6657=40...(10) HA LEU 48 - H LEU 53 far 0 76 0 - 5.9-6.8 HA3 GLY 114 - H LEU 53 far 0 99 0 - 8.2-11.7 HA CYS 45 - H LEU 53 far 0 97 0 - 10.0-10.8 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 2.6-3.1 3.7=95, 9232/9251=41...(8) HB2 LEU 49 - H LEU 53 far 0 87 0 - 5.4-6.0 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 1 assignment used, quality = 1.00: * HA LEU 53 + H LEU 53 OK 100 100 100 100 2.8-2.9 3.0=100 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 2.2-3.6 4.0=84, 1.8/6665=79...(17) HB2 LEU 49 - H LEU 53 far 0 73 0 - 5.4-6.0 HB2 LEU 119 - H LEU 53 far 0 73 0 - 6.2-6.9 HG LEU 69 - H LEU 53 far 0 99 0 - 9.8-10.6 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 3 assignments used, quality = 1.00: * HB3 LEU 53 + H LEU 53 OK 100 100 100 100 2.2-3.5 4.0=73, 1.8/6664=68...(17) HB2 GLU 55 - H LEU 53 far 0 100 0 - 6.8-7.1 HG2 PRO 56 - H LEU 53 far 0 93 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 6666 from nnoeabs.peaks (1.94, 7.71, 113.84 ppm; 4.13 A increased from 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 53 + H LEU 53 OK 100 100 100 100 2.1-4.2 2.1/6667=81, 2.1/6668=78...(19) HB3 LEU 49 - H LEU 53 poor 18 83 25 88 4.6-5.1 1674/6667=27...(16) HB2 PRO 113 - H LEU 53 far 0 68 0 - 9.8-12.7 Violated in 1 structures by 0.00 A. Peak 6667 from nnoeabs.peaks (0.79, 7.71, 113.84 ppm; 3.67 A): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 53 + H LEU 53 OK 100 100 100 100 1.9-3.6 2.1/6668=65, 4.3=61...(21) QD2 LEU 49 - H LEU 53 far 0 100 0 - 5.5-6.3 QD1 LEU 122 - H LEU 53 far 0 95 0 - 5.7-9.3 QD2 LEU 119 - H LEU 53 far 0 99 0 - 6.2-6.7 QD2 LEU 122 - H LEU 53 far 0 99 0 - 7.5-9.1 QD1 LEU 103 - H LEU 53 far 0 96 0 - 8.3-9.5 QD1 LEU 96 - H LEU 53 far 0 78 0 - 8.5-9.3 Violated in 0 structures by 0.00 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 2.3-4.1 2.1/6667=73, 1679/3.0=70...(14) QG1 VAL 57 - H LEU 53 far 0 87 0 - 5.8-6.2 QG1 VAL 126 - H LEU 53 far 0 97 0 - 6.2-7.0 QG2 VAL 126 - H LEU 53 far 0 100 0 - 6.8-7.6 QD1 LEU 119 - H LEU 53 far 0 71 0 - 7.9-8.5 Violated in 3 structures by 0.01 A. Peak 6669 from nnoeabs.peaks (7.55, 7.71, 113.84 ppm; 3.79 A): 1 out of 3 assignments used, quality = 1.00: * H THR 54 + H LEU 53 OK 100 100 100 100 2.5-2.6 6675=100, 6678/6665=44...(11) HE22 GLN 61 - H LEU 53 far 0 97 0 - 5.2-10.2 H LEU 119 - H LEU 53 far 0 99 0 - 9.4-10.2 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 2 assignments used, quality = 0.99: * HA SER 51 + H THR 54 OK 99 100 100 99 3.4-4.0 3.6/6673=69, 1614/4.0=66...(5) HA SER 124 - H THR 54 far 0 73 0 - 10.0-10.9 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 3 assignments used, quality = 1.00: * H ALA 52 + H THR 54 OK 100 100 100 100 4.0-4.2 3.3/6675=87, 2.9/6674=73...(10) H VAL 57 - H THR 54 far 0 78 0 - 6.9-7.5 H LEU 48 - H THR 54 far 0 89 0 - 9.3-9.7 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 = 0.99: * HA ALA 52 + H THR 54 OK 99 100 100 99 3.5-4.1 3.6/6675=75, 2.9/6673=59...(9) HA LEU 49 - H THR 54 far 0 71 0 - 6.1-6.6 HA LEU 48 - H THR 54 far 0 76 0 - 7.4-8.0 HA3 GLY 114 - H THR 54 far 0 99 0 - 8.3-10.7 Violated in 0 structures by 0.00 A. Peak 6675 from nnoeabs.peaks (7.71, 7.55, 107.70 ppm; 3.45 A): 1 out of 1 assignment used, quality = 0.99: * H LEU 53 + H THR 54 OK 99 100 100 99 2.5-2.6 6669=76, 6665/6678=36...(11) 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 1 assignment used, quality = 1.00: * HA LEU 53 + H THR 54 OK 100 100 100 100 3.3-3.5 3.6=100 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 3.0-4.2 4.6=89, 1.8/6678=85...(6) HB2 LEU 119 - H THR 54 far 0 73 0 - 6.8-8.0 HB2 LEU 49 - H THR 54 far 0 73 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 6678 from nnoeabs.peaks (1.99, 7.55, 107.70 ppm; 4.16 A): 1 out of 5 assignments used, quality = 0.99: * HB3 LEU 53 + H THR 54 OK 99 100 100 99 2.9-3.6 4.6=73, 1.8/6677=69...(6) HB2 GLU 55 - H THR 54 far 0 100 0 - 5.4-5.8 HG2 PRO 56 - H THR 54 far 0 93 0 - 8.5-9.0 HB3 PRO 56 - H THR 54 far 0 99 0 - 8.7-9.2 HG3 PRO 56 - H THR 54 far 0 93 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 6679 from nnoeabs.peaks (1.94, 7.55, 107.70 ppm; 5.44 A increased from 5.12 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 53 + H THR 54 OK 100 100 100 100 4.4-5.6 3.0/6678=89, 3.0/6677=85...(7) HB3 LEU 49 - H THR 54 far 0 83 0 - 7.0-7.5 HB2 PRO 113 - H THR 54 far 0 68 0 - 8.7-11.4 Violated in 3 structures by 0.01 A. Peak 6680 from nnoeabs.peaks (0.79, 7.55, 107.70 ppm; 4.95 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 53 + H THR 54 OK 100 100 100 100 4.0-5.1 4.6=100 QD2 LEU 119 - H THR 54 far 0 99 0 - 6.6-7.6 QD2 LEU 49 - H THR 54 far 0 100 0 - 7.5-8.4 QD1 LEU 122 - H THR 54 far 0 95 0 - 7.6-11.2 QD2 LEU 122 - H THR 54 far 0 99 0 - 9.0-10.9 QD1 LEU 103 - H THR 54 far 0 96 0 - 9.4-10.9 Violated in 2 structures by 0.01 A. Peak 6681 from nnoeabs.peaks (0.97, 7.55, 107.70 ppm; 5.21 A increased from 4.39 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 53 + H THR 54 OK 100 100 100 100 4.1-5.0 4.6=100 QG1 VAL 57 - H THR 54 far 0 87 0 - 5.9-6.4 QG1 VAL 126 - H THR 54 far 0 97 0 - 7.9-8.6 QD1 LEU 119 - H THR 54 far 0 71 0 - 8.0-8.9 QG2 VAL 126 - H THR 54 far 0 100 0 - 8.7-9.5 Violated in 0 structures by 0.00 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 2.9-2.9 3.0=100 HA ASN 120 - H THR 54 far 0 100 0 - 7.3-8.5 HA HIS 5 - H THR 54 far 0 95 0 - 9.6-63.2 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 1 assignment used, quality = 1.00: * HB THR 54 + H THR 54 OK 100 100 100 100 3.2-3.7 4.0=100 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 1.7-2.6 1697=95, 1698/3.0=62...(9) QG2 THR 65 - H THR 54 far 0 96 0 - 7.7-8.4 Violated in 0 structures by 0.00 A. Peak 6685 from nnoeabs.peaks (7.75, 7.55, 107.70 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 55 + H THR 54 OK 100 100 100 100 2.0-2.5 6687=100, 1701/6684=34...(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 2 assignments used, quality = 0.94: * H THR 54 + H GLU 55 OK 94 100 100 94 2.0-2.5 6685=82, 6684/1701=29...(9) HE22 GLN 61 - H GLU 55 far 0 97 0 - 5.5-10.4 Violated in 0 structures by 0.00 A. Peak 6688 from nnoeabs.peaks (4.42, 7.75, 122.78 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 54 + H GLU 55 OK 100 100 100 100 3.1-3.4 3.6=100 HA ASN 120 - H GLU 55 far 0 100 0 - 8.4-9.7 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 4.3-4.5 4.6=100 HA PRO 58 - H GLU 55 far 0 98 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 6690 from nnoeabs.peaks (1.24, 7.75, 122.78 ppm; 4.33 A increased from 4.08 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 54 + H GLU 55 OK 100 100 100 100 2.7-4.2 4.2=100 QG2 THR 65 - H GLU 55 far 0 96 0 - 8.4-9.2 Violated in 0 structures by 0.00 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; 3.72 A increased from 3.50 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 55 + H GLU 55 OK 100 100 100 100 3.5-3.8 3.8=95, 1.8/6693=75...(10) HB3 LEU 53 - H GLU 55 far 0 100 0 - 4.8-5.2 HG2 PRO 56 - H GLU 55 far 0 89 0 - 6.5-6.6 HB3 PRO 56 - H GLU 55 far 0 97 0 - 6.6-6.9 HG3 PRO 56 - H GLU 55 far 0 89 0 - 6.9-7.1 Violated in 1 structures by 0.00 A. Peak 6693 from nnoeabs.peaks (2.04, 7.75, 122.78 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 55 + H GLU 55 OK 100 100 100 100 2.3-3.7 3.8=92, 1.8/6692=73...(8) HB2 LEU 62 - H GLU 55 far 0 92 0 - 8.2-9.6 HG3 PRO 113 - H GLU 55 far 0 85 0 - 9.6-12.2 Violated in 0 structures by 0.00 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 1.9-4.2 1720=89, 1.8/6695=74...(10) HG3 GLN 127 - H GLU 55 far 0 81 0 - 9.6-11.7 Violated in 2 structures by 0.02 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 2.9-4.4 1726=89, 1.8/6694=77...(11) HG3 GLN 61 - H GLU 55 far 0 89 0 - 7.7-9.2 Violated in 1 structures by 0.02 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 1 assignment 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...(8) 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 3.9-4.0 3.9=100 HB VAL 112 - H VAL 57 far 0 87 0 - 6.5-8.0 Violated in 0 structures by 0.00 A. Peak 6699 from nnoeabs.peaks (2.00, 8.01, 121.40 ppm; 4.77 A): 3 out of 6 assignments used, quality = 1.00: * HB3 PRO 56 + H VAL 57 OK 100 100 100 100 4.2-4.4 3.9=100 HG2 PRO 56 + H VAL 57 OK 91 99 100 92 5.0-5.0 3.8/6697=74, 9322/3.0=36...(6) HB2 GLU 55 + H VAL 57 OK 87 97 95 94 5.1-5.5 9314/1802=64...(6) HG3 PRO 56 - H VAL 57 far 0 99 0 - 5.8-5.8 HG2 PRO 58 - H VAL 57 far 0 68 0 - 6.5-6.6 HB3 LEU 53 - H VAL 57 far 0 99 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 6700 from nnoeabs.peaks (2.01, 8.01, 121.40 ppm; 4.78 A): 3 out of 6 assignments used, quality = 1.00: HB3 PRO 56 + H VAL 57 OK 99 99 100 100 4.2-4.4 3.9=100 * HG2 PRO 56 + H VAL 57 OK 92 100 100 92 5.0-5.0 3.8/6697=74, 9322/3.0=36...(6) HB2 GLU 55 + H VAL 57 OK 75 89 95 89 5.1-5.5 9315/6707=53...(6) HG3 PRO 56 - H VAL 57 far 0 100 0 - 5.8-5.8 HG2 PRO 58 - H VAL 57 far 0 85 0 - 6.5-6.6 HB3 LEU 53 - H VAL 57 far 0 93 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 6701 from nnoeabs.peaks (2.01, 8.01, 121.40 ppm; 4.78 A): 3 out of 6 assignments used, quality = 1.00: HB3 PRO 56 + H VAL 57 OK 99 99 100 100 4.2-4.4 3.9=100 HG2 PRO 56 + H VAL 57 OK 92 100 100 92 5.0-5.0 3.8/6697=74, 9322/3.0=36...(6) HB2 GLU 55 + H VAL 57 OK 75 89 95 89 5.1-5.5 9315/6707=53...(6) ! HG3 PRO 56 - H VAL 57 far 0 100 0 - 5.8-5.8 HG2 PRO 58 - H VAL 57 far 0 85 0 - 6.5-6.6 HB3 LEU 53 - H VAL 57 far 0 93 0 - 8.1-9.0 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 5.3-5.4 3.6/6697=100...(9) HD3 PRO 56 + H VAL 57 OK 99 99 100 100 5.4-5.5 3.6/6697=100...(9) 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...(9) HD2 PRO 56 + H VAL 57 OK 99 99 100 100 5.3-5.4 3.6/6697=100...(9) 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 3.7-3.8 4.0=93, 2.1/1802=87...(7) HB3 GLN 61 - H VAL 57 far 0 97 0 - 5.9-6.4 HB VAL 112 - H VAL 57 far 0 63 0 - 6.5-8.0 HG3 PRO 58 - H VAL 57 far 0 87 0 - 6.8-6.9 HG3 PRO 113 - H VAL 57 far 0 60 0 - 7.0-9.2 HB2 GLN 61 - H VAL 57 far 0 99 0 - 7.1-7.9 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 2 assignments used, quality = 1.00: * QG2 VAL 57 + H VAL 57 OK 100 100 100 100 2.0-2.3 1802=100, 2.1/6707=50...(11) QD2 LEU 123 - H VAL 57 far 0 78 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 6707 from nnoeabs.peaks (0.95, 8.01, 121.40 ppm; 3.79 A increased from 3.57 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 57 + H VAL 57 OK 100 100 100 100 3.5-3.6 1807=86, 2.1/1802=84...(12) QD2 LEU 53 - H VAL 57 far 0 87 0 - 5.6-6.8 QD1 LEU 119 - H VAL 57 far 0 99 0 - 6.0-7.0 QG1 VAL 112 - H VAL 57 far 0 85 0 - 6.3-7.6 QG2 VAL 112 - H VAL 57 far 0 71 0 - 6.5-7.4 Violated in 0 structures by 0.00 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 2 assignments used, quality = 0.96: * HA PRO 58 + H ASN 59 OK 96 100 100 96 2.2-2.2 1839=79, 2.3/6710=39...(8) HA SER 106 - H ASN 59 far 0 100 0 - 9.2-11.7 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 3 assignments used, quality = 1.00: * HB2 PRO 58 + H ASN 59 OK 100 100 100 100 3.3-3.6 2.3/6709=90, 4.3=89...(11) HG2 PRO 113 - H ASN 59 far 0 89 0 - 9.2-10.9 HG LEU 53 - H ASN 59 far 0 95 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 6711 from nnoeabs.peaks (2.41, 8.89, 122.23 ppm; 4.18 A increased from 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 58 + H ASN 59 OK 100 100 100 100 3.8-4.0 2.3/6709=90, 4.3=89...(10) HG3 GLN 61 - H ASN 59 far 0 100 0 - 6.5-8.0 Violated in 0 structures by 0.00 A. Peak 6712 from nnoeabs.peaks (2.03, 8.89, 122.23 ppm; 5.11 A increased from 4.81 A): 1 out of 3 assignments used, quality = 1.00: * HG2 PRO 58 + H ASN 59 OK 100 100 100 100 4.8-5.0 1863=96, 2.3/6710=91...(8) HB VAL 63 - H ASN 59 far 0 100 0 - 7.5-8.3 HB3 PRO 56 - H ASN 59 far 0 68 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 6713 from nnoeabs.peaks (2.07, 8.89, 122.23 ppm; 5.40 A increased from 4.80 A): 4 out of 7 assignments used, quality = 1.00: * HG3 PRO 58 + H ASN 59 OK 100 100 100 100 5.5-5.7 2.3/6710=95, 2.3/6711=95...(6) HB2 LEU 62 + H ASN 59 OK 69 92 75 100 5.6-6.8 1880/2.9=82, ~9388=53...(26) HB3 GLN 61 + H ASN 59 OK 50 60 100 83 5.2-5.3 4.0/6748=42, 4.6/6722=28...(8) HB VAL 57 + H ASN 59 OK 37 87 100 42 5.6-5.8 1836/6709=30...(4) HB2 GLN 61 - H ASN 59 far 0 68 0 - 6.2-6.9 HB VAL 118 - H ASN 59 far 0 92 0 - 8.3-9.9 HG3 PRO 113 - H ASN 59 far 0 97 0 - 8.6-10.7 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 2.7-2.7 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 3.4-3.6 1.8/6718=77, 4.0=76...(8) 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 2.1-2.6 1.8/6717=68, 4.0=66...(9) HB2 ASN 116 - H ASN 59 far 0 73 0 - 6.4-7.6 Violated in 0 structures by 0.00 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 4.4-5.4 3.5/6718=90, 3.5/6717=88...(6) Violated in 2 structures by 0.01 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 2.9-3.0 6736=100, 6739/6718=54...(12) 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 98 100 100 98 4.3-4.5 6750/6736=65...(10) H LEU 62 + H ASN 59 OK 92 95 100 98 4.8-5.2 6780/2.9=69, 3.9/6748=37...(11) HE22 GLN 104 - H ASN 59 far 0 99 0 - 9.1-11.3 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 4.5-5.0 5.7=100 H GLY 66 - HD21 ASN 59 far 0 99 0 - 8.5-11.9 Violated in 0 structures by 0.00 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 3.5-4.2 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 2.1-2.3 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 2.8-3.5 3.5=100 HB2 ASN 116 - HD21 ASN 59 lone 4 73 55 9 2.6-7.6 6733/1.7=5, 10226/9341=3 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 1 assignment used, quality = 1.00: * HD22 ASN 59 + HD21 ASN 59 OK 100 100 100 100 1.7-1.7 1.7=100 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 4.3-5.1 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 3.4-3.5 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 3.7-4.1 3.5=100 HB2 ASN 116 - HD22 ASN 59 poor 8 73 55 20 1.9-8.7 3.5/11732=8...(5) 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 2.9-3.0 6721=91, 6718/6739=50...(12) H GLY 66 - H SER 50 far 0 91 0 - 7.9-8.2 H GLY 66 - H SER 60 far 0 99 0 - 9.4-9.6 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 4 assignments used, quality = 1.00: * HA ASN 59 + H SER 60 OK 100 100 100 100 3.5-3.5 3.6=100 HA ASP 47 + H SER 50 OK 89 90 100 99 3.6-3.9 1469/3.9=49, 3.6/6590=49...(11) HA LEU 69 - H SER 50 far 0 93 0 - 9.0-9.6 HA CYS 125 - H SER 50 far 0 71 0 - 9.0-10.0 Violated in 0 structures by 0.00 A. Peak 6738 from nnoeabs.peaks (2.62, 8.66, 113.17 ppm; 4.19 A increased from 3.95 A): 1 out of 1 assignment used, quality = 0.99: * HB2 ASN 59 + H SER 60 OK 99 100 100 99 3.5-4.1 1.8/6739=84, 4.5=80...(4) 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 2 assignments used, quality = 0.95: * HB3 ASN 59 + H SER 60 OK 95 100 100 95 2.6-3.8 1.8/6738=66, 4.5=62...(6) HB2 ASN 116 - H SER 60 far 0 73 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 6742 from nnoeabs.peaks (4.01, 8.66, 113.17 ppm; 3.81 A): 2 out of 8 assignments used, quality = 1.00: * HA SER 60 + H SER 60 OK 100 100 100 100 2.8-2.8 2.8=100 HA SER 50 + H SER 50 OK 85 85 100 100 2.7-2.8 2.9=100 HB3 SER 51 - H SER 50 far 0 54 0 - 4.9-6.3 HA LEU 103 - H SER 60 far 0 99 0 - 7.7-8.8 HA LEU 119 - H SER 60 far 0 90 0 - 8.5-9.6 HB3 SER 124 - H SER 50 far 0 73 0 - 9.0-10.2 HA LEU 119 - H SER 50 far 0 80 0 - 9.2-9.7 HB2 SER 124 - H SER 50 far 0 84 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 6743 from nnoeabs.peaks (3.91, 8.66, 113.17 ppm; 4.15 A): 3 out of 8 assignments used, quality = 1.00: * HB2 SER 60 + H SER 60 OK 100 100 100 100 2.2-3.6 4.0=100 HB3 SER 60 + H SER 60 OK 100 100 100 100 2.2-3.6 4.0=100 HB3 SER 50 + H SER 50 OK 73 73 100 100 2.1-3.5 3.9=100 HA ALA 46 - H SER 50 poor 19 85 25 88 4.7-5.0 1455/3.2=42, 2.1/9213=32...(11) HA2 GLY 111 - H SER 60 far 4 76 5 - 4.6-6.2 HB2 SER 107 - H SER 60 lone 0 93 35 1 2.7-6.6 HA3 GLY 2 - H SER 50 far 0 82 0 - 8.4-69.8 HA2 GLY 2 - H SER 50 far 0 82 0 - 9.0-69.8 Violated in 0 structures by 0.00 A. Peak 6744 from nnoeabs.peaks (3.91, 8.66, 113.17 ppm; 4.15 A): 3 out of 8 assignments used, quality = 1.00: HB2 SER 60 + H SER 60 OK 100 100 100 100 2.2-3.6 4.0=100 * HB3 SER 60 + H SER 60 OK 100 100 100 100 2.2-3.6 4.0=100 HB3 SER 50 + H SER 50 OK 73 73 100 100 2.1-3.5 3.9=100 HA ALA 46 - H SER 50 poor 19 85 25 88 4.7-5.0 1455/3.2=42, 2.1/9213=32...(11) HA2 GLY 111 - H SER 60 far 4 76 5 - 4.6-6.2 HB2 SER 107 - H SER 60 lone 0 93 35 1 2.7-6.6 HA3 GLY 2 - H SER 50 far 0 82 0 - 8.4-69.8 HA2 GLY 2 - H SER 50 far 0 82 0 - 9.0-69.8 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 3 assignments used, quality = 0.99: * H GLN 61 + H SER 60 OK 93 100 100 93 2.6-2.8 6750=72, 10981/10979=27...(10) H LEU 62 + H SER 60 OK 83 95 100 88 4.1-4.6 3.9/6750=44, 6780/3.6=43...(11) HE22 GLN 104 - H SER 60 far 0 99 0 - 7.5-9.0 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 3 assignments used, quality = 0.99: * H LEU 62 + H SER 60 OK 89 100 100 89 4.1-4.6 6780/3.6=47, 3.9/6750=44...(11) H GLN 61 + H SER 60 OK 88 95 100 93 2.6-2.8 4.6=70, 9331/10975=30...(10) HE22 GLN 104 - H SER 60 far 0 99 0 - 7.5-9.0 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): 1 out of 2 assignments used, quality = 1.00: * H ASN 59 + H GLN 61 OK 100 100 100 100 4.3-4.5 6736/6750=94...(11) H GLY 66 - H GLN 61 far 0 99 0 - 7.9-8.3 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 1 assignment used, quality = 1.00: * HA ASN 59 + H GLN 61 OK 100 100 100 100 4.2-4.5 3.6/6750=96, 6780/3.9=93...(13) 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 2.6-2.8 4.6=98, 10979/10981=34...(11) H HIS 67 - H GLN 61 far 0 97 0 - 9.4-9.8 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 - 8.8-9.9 HA LEU 103 - H GLN 61 far 0 99 0 - 9.3-10.5 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 4 assignments used, quality = 1.00: * HA GLN 61 + H GLN 61 OK 100 100 100 100 2.8-2.8 2.8=100 HA ALA 110 - H GLN 61 far 5 100 5 - 5.1-7.4 HA ALA 108 - H GLN 61 far 0 100 0 - 8.2-10.2 HA ALA 109 - H GLN 61 far 0 100 0 - 8.6-11.0 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 2.7-3.1 4.0=100 HB3 GLN 61 + H GLN 61 OK 100 100 100 100 2.1-2.4 4.0=100 HG3 PRO 58 + H GLN 61 OK 48 68 100 71 3.9-4.1 2.3/10981=50...(4) HB VAL 57 + H GLN 61 OK 40 99 70 59 4.6-4.8 2.1/9298=21, 1945/4.5=16...(7) HB VAL 112 - H GLN 61 far 0 83 0 - 8.7-10.7 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 2.1-2.4 4.0=100 HB2 GLN 61 + H GLN 61 OK 100 100 100 100 2.7-3.1 4.0=100 HG3 PRO 58 + H GLN 61 OK 42 60 100 71 3.9-4.1 2.3/10981=50...(4) HB VAL 57 + H GLN 61 OK 40 97 70 58 4.6-4.8 2.1/9298=21, 1945/4.5=16...(6) HB VAL 112 - H GLN 61 far 0 89 0 - 8.7-10.7 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 1 assignment used, quality = 1.00: * HG2 GLN 61 + H GLN 61 OK 100 100 100 100 4.4-4.7 4.5=100 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 3 assignments used, quality = 1.00: * HG3 GLN 61 + H GLN 61 OK 100 100 100 100 3.9-4.4 4.5=100 HB3 PRO 58 + H GLN 61 OK 96 100 100 96 4.2-4.5 1.8/10981=68, 9331=48...(7) HG3 GLU 55 - H GLN 61 far 0 89 0 - 9.7-13.3 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 3.9-4.1 6797/3.9=93, 6801/3.6=90...(12) 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): 3 out of 4 assignments used, quality = 1.00: * HB2 GLN 61 + HE21 GLN 61 OK 100 100 100 100 3.8-4.7 4.4=100 HB3 GLN 61 + HE21 GLN 61 OK 100 100 100 100 3.2-4.6 4.4=100 HB VAL 57 + HE21 GLN 61 OK 99 99 100 100 2.3-4.6 2.1/9376=99, 2.1/9300=82...(10) HG3 PRO 58 - HE21 GLN 61 lone 4 68 35 15 5.9-7.2 6755/5.9=9, 10142/9376=5 Violated in 0 structures by 0.00 A. Peak 6767 from nnoeabs.peaks (2.10, 6.88, 111.48 ppm; 5.58 A): 3 out of 4 assignments used, quality = 1.00: * HB3 GLN 61 + HE21 GLN 61 OK 100 100 100 100 3.2-4.6 4.4=100 HB2 GLN 61 + HE21 GLN 61 OK 100 100 100 100 3.8-4.7 4.4=100 HB VAL 57 + HE21 GLN 61 OK 97 97 100 100 2.3-4.6 2.1/9376=99, 2.1/9300=82...(10) HG3 PRO 58 - HE21 GLN 61 lone 3 60 35 14 5.9-7.2 6755/5.9=9, 10142/9376=4 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 1 assignment used, quality = 1.00: * HG2 GLN 61 + HE21 GLN 61 OK 100 100 100 100 2.1-4.1 3.5=100 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 2.7-3.8 3.5=100 HG3 GLU 55 - HE21 GLN 61 far 0 89 0 - 5.7-9.8 HB3 PRO 58 - HE21 GLN 61 far 0 100 0 - 6.8-8.8 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 3 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 - 6.7-9.7 H LEU 119 - HE21 GLN 61 far 0 89 0 - 8.7-14.4 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): 3 out of 4 assignments used, quality = 1.00: * HB2 GLN 61 + HE22 GLN 61 OK 100 100 100 100 3.4-5.2 4.4=100 HB3 GLN 61 + HE22 GLN 61 OK 100 100 100 100 1.8-5.4 4.4=100 HB VAL 57 + HE22 GLN 61 OK 59 99 60 100 2.7-6.0 2.1/9371=91, ~9376=77...(11) HG3 PRO 58 - HE22 GLN 61 far 7 68 10 - 5.4-7.6 Violated in 0 structures by 0.00 A. Peak 6775 from nnoeabs.peaks (2.10, 7.56, 111.48 ppm; 5.31 A): 3 out of 4 assignments used, quality = 1.00: * HB3 GLN 61 + HE22 GLN 61 OK 100 100 100 100 1.8-5.4 4.4=100 HB2 GLN 61 + HE22 GLN 61 OK 100 100 100 100 3.4-5.2 4.4=100 HB VAL 57 + HE22 GLN 61 OK 58 97 60 100 2.7-6.0 2.1/9371=91, ~9376=77...(11) HG3 PRO 58 - HE22 GLN 61 far 6 60 10 - 5.4-7.6 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 1 assignment used, quality = 1.00: * HG2 GLN 61 + HE22 GLN 61 OK 100 100 100 100 3.4-3.6 3.5=100 Violated in 0 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 2.9-3.9 3.5=100 HG3 GLU 55 - HE22 GLN 61 far 0 89 0 - 5.9-11.4 HB3 PRO 58 - HE22 GLN 61 far 0 100 0 - 6.0-9.5 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 2 assignments used, quality = 1.00: * HE21 GLN 61 + HE22 GLN 61 OK 100 100 100 100 1.7-1.7 1.7=100 HE21 GLN 68 - HE22 GLN 61 far 0 78 0 - 7.5-12.1 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 1 assignment used, quality = 1.00: * HA ASN 59 + H LEU 62 OK 100 100 100 100 3.3-3.7 9388/2005=62...(15) 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 4 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 0 100 0 - 7.2-9.4 HA ALA 108 - H LEU 62 far 0 100 0 - 9.5-11.5 HA ALA 109 - H LEU 62 far 0 100 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 6785 from nnoeabs.peaks (2.10, 7.43, 120.60 ppm; 4.25 A): 3 out of 5 assignments used, quality = 1.00: HB3 GLN 61 + H LEU 62 OK 96 100 100 96 2.4-2.9 4.6=77, 3.0/6787=43...(9) * HB2 GLN 61 + H LEU 62 OK 93 100 100 93 3.8-4.1 4.6=77, 3.0/6787=43...(6) HB VAL 57 + H LEU 62 OK 88 99 100 89 3.8-4.5 2.1/9296=56...(8) HG3 PRO 58 - H LEU 62 far 0 68 0 - 6.0-6.2 HB VAL 112 - H LEU 62 far 0 83 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 6786 from nnoeabs.peaks (2.10, 7.43, 120.60 ppm; 4.23 A): 3 out of 5 assignments used, quality = 1.00: * HB3 GLN 61 + H LEU 62 OK 96 100 100 96 2.4-2.9 4.6=76, 3.0/6787=42...(9) HB2 GLN 61 + H LEU 62 OK 93 100 100 93 3.8-4.1 4.6=76, 3.0/6787=42...(6) HB VAL 57 + H LEU 62 OK 86 97 100 89 3.8-4.5 2.1/9296=56...(8) HG3 PRO 58 - H LEU 62 far 0 60 0 - 6.0-6.2 HB VAL 112 - H LEU 62 far 0 89 0 - 8.8-10.6 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 1 assignment used, quality = 0.97: * HG2 GLN 61 + H LEU 62 OK 97 100 100 97 3.6-4.8 10989/9296=55, 1951=50...(8) 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 2.7-3.9 1953/3.6=99, 1.8/6787=97...(12) HB3 PRO 58 + H LEU 62 OK 97 100 100 97 6.2-6.5 9331/3.9=78, 1.8/9333=47...(5) HG3 GLU 55 - H LEU 62 far 0 89 0 - 8.7-12.2 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 2 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 - 6.2-6.5 Violated in 0 structures by 0.00 A. Peak 6792 from nnoeabs.peaks (2.06, 7.43, 120.60 ppm; 4.10 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 62 + H LEU 62 OK 100 100 100 100 2.3-3.5 3.9=100 HG3 PRO 58 - H LEU 62 far 0 92 0 - 6.0-6.2 HB VAL 118 - H LEU 62 far 0 100 0 - 8.3-9.9 HB3 GLU 55 - H LEU 62 far 0 92 0 - 9.2-11.7 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 2 assignments used, quality = 1.00: * HB3 LEU 62 + H LEU 62 OK 100 100 100 100 2.2-3.6 3.9=100 QG2 THR 115 - H LEU 62 far 0 97 0 - 8.2-9.5 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 2 assignments used, quality = 1.00: * HG LEU 62 + H LEU 62 OK 100 100 100 100 2.3-2.9 2.1/1997=60, 2.1/2005=54...(17) HG LEU 119 - H LEU 62 far 0 68 0 - 6.7-7.7 Violated in 0 structures by 0.00 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 3.1-3.6 1997=100, 2.1/6794=79...(13) QD2 LEU 100 - H LEU 62 far 0 100 0 - 5.8-6.5 Violated in 0 structures by 0.00 A. Peak 6796 from nnoeabs.peaks (0.91, 7.43, 120.60 ppm; 4.05 A increased from 3.60 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 62 + H LEU 62 OK 100 100 100 100 3.5-4.0 2005=88, 2.1/6794=80...(15) QG2 VAL 63 + H LEU 62 OK 94 100 100 94 3.7-4.2 6810/6797=53...(15) QG1 VAL 118 - H LEU 62 far 0 93 0 - 6.8-8.2 QD1 LEU 119 - H LEU 62 far 0 63 0 - 6.9-7.6 QD1 LEU 49 - H LEU 62 far 0 100 0 - 7.6-8.1 QD2 LEU 48 - H LEU 62 far 0 100 0 - 7.7-9.7 QG2 VAL 112 - H LEU 62 far 0 97 0 - 8.4-9.4 QD1 LEU 48 - H LEU 62 far 0 97 0 - 8.4-9.2 QD2 LEU 123 - H LEU 62 far 0 60 0 - 9.1-10.1 QD1 LEU 123 - H LEU 62 far 0 93 0 - 9.6-10.8 Violated in 0 structures by 0.00 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 2.5-2.8 4.2=87, 6806/3.9=46...(13) H LEU 122 - H LEU 62 far 0 87 0 - 9.5-10.9 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 4.4-5.0 1880/6806=94...(11) 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 3.3-3.6 1901=86, 2020/6812=71...(10) HA LEU 119 - H VAL 63 far 0 90 0 - 6.9-7.7 HA LEU 103 - H VAL 63 far 0 99 0 - 7.3-8.2 HB3 SER 99 - H VAL 63 far 0 100 0 - 8.7-11.0 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 96 100 100 96 3.9-4.1 3.9/6797=53, 3.6/6801=47...(12) H LEU 62 + H VAL 63 OK 94 95 100 100 2.5-2.8 4.2=98, 3.9/6806=50...(13) HE22 GLN 104 - H VAL 63 far 0 99 0 - 5.3-7.7 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 3 assignments used, quality = 1.00: * HA GLN 61 + H VAL 63 OK 100 100 100 100 3.8-4.1 3.6/6797=92...(6) HA ALA 110 - H VAL 63 far 0 100 0 - 8.0-10.3 HA ALA 108 - H VAL 63 far 0 100 0 - 8.9-11.0 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 2.5-2.8 6797=100, 3.9/6806=50...(13) H GLN 61 + H VAL 63 OK 90 95 100 96 3.9-4.1 3.9/6797=53, 3.6/6801=47...(12) HE22 GLN 104 - H VAL 63 far 0 99 0 - 5.3-7.7 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 2 assignments used, quality = 1.00: * HA LEU 62 + H VAL 63 OK 100 100 100 100 3.4-3.5 3.6=100 HD3 PRO 58 - H VAL 63 far 0 68 0 - 8.6-8.8 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 3 assignments used, quality = 0.99: * HB2 LEU 62 + H VAL 63 OK 99 100 100 99 2.8-3.7 4.5=79, 3.9/6797=52...(11) HG3 PRO 58 - H VAL 63 far 0 92 0 - 7.8-8.0 HB VAL 118 - H VAL 63 far 0 100 0 - 7.9-9.1 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 2 assignments used, quality = 1.00: * HB3 LEU 62 + H VAL 63 OK 100 100 100 100 3.0-3.9 4.5=100 QG2 THR 115 - H VAL 63 far 0 97 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 6808 from nnoeabs.peaks (1.65, 8.20, 118.17 ppm; 4.87 A increased from 4.58 A): 1 out of 2 assignments used, quality = 0.99: * HG LEU 62 + H VAL 63 OK 99 100 100 99 4.5-4.9 3.0/6806=77...(6) HG LEU 119 - H VAL 63 far 0 68 0 - 7.4-8.1 Violated in 1 structures by 0.00 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 100 + H VAL 63 OK 100 100 100 100 4.0-4.8 9386/2.9=83...(14) * QD2 LEU 62 + H VAL 63 OK 100 100 100 100 4.6-4.8 1998/3.6=74, 3.1/6806=65...(8) Violated in 0 structures by 0.00 A. Peak 6810 from nnoeabs.peaks (0.91, 8.20, 118.17 ppm; 3.57 A): 1 out of 9 assignments used, quality = 1.00: QG2 VAL 63 + H VAL 63 OK 100 100 100 100 1.9-2.5 2033=93, 2.1/6812=68...(17) ! QD1 LEU 62 - H VAL 63 far 0 100 0 - 4.7-5.0 QG1 VAL 118 - H VAL 63 far 0 93 0 - 6.0-7.1 QD1 LEU 49 - H VAL 63 far 0 100 0 - 7.1-7.8 QD1 LEU 119 - H VAL 63 far 0 63 0 - 7.8-8.4 QD2 LEU 48 - H VAL 63 far 0 100 0 - 8.5-10.3 QD1 LEU 48 - H VAL 63 far 0 97 0 - 8.5-9.2 QG2 VAL 112 - H VAL 63 far 0 97 0 - 9.5-10.6 QD2 LEU 123 - H VAL 63 far 0 60 0 - 9.9-10.8 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 2.8-2.9 2.9=100 HB2 HIS 67 - H VAL 63 far 0 73 0 - 6.7-8.9 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 3 assignments used, quality = 0.99: * HB VAL 63 + H VAL 63 OK 99 100 100 99 2.4-2.6 2021=77, 2.1/6810=66...(8) HG2 PRO 58 - H VAL 63 far 0 100 0 - 6.1-6.3 HB3 LEU 53 - H VAL 63 far 0 63 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 6813 from nnoeabs.peaks (0.78, 8.20, 118.17 ppm; 3.92 A increased from 3.48 A): 1 out of 8 assignments used, quality = 1.00: * QG1 VAL 63 + H VAL 63 OK 100 100 100 100 3.7-3.8 2027=96, 2.1/6810=78...(9) QD1 LEU 122 - H VAL 63 far 4 73 5 - 4.4-8.0 QD1 LEU 103 - H VAL 63 far 0 100 0 - 4.5-5.7 QD2 LEU 122 - H VAL 63 far 0 100 0 - 5.2-8.1 QD2 LEU 119 - H VAL 63 far 0 87 0 - 5.3-5.9 QD2 LEU 49 - H VAL 63 far 0 93 0 - 5.4-5.8 QD1 LEU 53 - H VAL 63 far 0 97 0 - 6.2-7.9 QD1 LEU 96 - H VAL 63 far 0 97 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 6814 from nnoeabs.peaks (0.91, 8.20, 118.17 ppm; 3.57 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 63 + H VAL 63 OK 100 100 100 100 1.9-2.5 2033=93, 2.1/6812=68...(17) QD1 LEU 62 - H VAL 63 far 0 100 0 - 4.7-5.0 QG1 VAL 118 - H VAL 63 far 0 97 0 - 6.0-7.1 QD1 LEU 49 - H VAL 63 far 0 100 0 - 7.1-7.8 QD2 LEU 48 - H VAL 63 far 0 100 0 - 8.5-10.3 QD1 LEU 48 - H VAL 63 far 0 95 0 - 8.5-9.2 QG2 VAL 112 - H VAL 63 far 0 95 0 - 9.5-10.6 QD2 LEU 123 - H VAL 63 far 0 68 0 - 9.9-10.8 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 2 assignments used, quality = 0.99: * H ASP 64 + H VAL 63 OK 99 100 100 99 2.7-2.8 6822=80, 6826/6814=51...(12) H VAL 112 - H VAL 63 far 0 73 0 - 8.9-11.2 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 1 assignment used, quality = 1.00: * H THR 65 + H VAL 63 OK 100 100 100 100 3.8-4.1 6835=100, 6837/6815=100...(13) 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 4.1-4.7 2020/6824=69...(8) HA GLN 68 - H ASP 64 far 0 90 0 - 8.9-9.2 HA LEU 103 - H ASP 64 far 0 99 0 - 9.4-10.1 HA LEU 119 - H ASP 64 far 0 90 0 - 9.5-10.0 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 2 assignments used, quality = 1.00: * HA GLN 61 + H ASP 64 OK 100 100 100 100 3.5-3.7 2047/2048=66...(10) HA ALA 110 - H ASP 64 far 0 100 0 - 9.5-11.5 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 4.5-4.8 6797/6815=96...(5) H GLN 61 + H ASP 64 OK 94 95 100 100 4.9-5.2 2.8/6819=98, 3.6/6818=91...(4) HE22 GLN 104 + H ASP 64 OK 94 99 95 100 5.5-8.5 10078/6825=96, 10077/6826=94 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 1 assignment used, quality = 1.00: * H VAL 63 + H ASP 64 OK 100 100 100 100 2.7-2.8 6815=100, 6814/6826=59...(12) 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 3.6-3.6 3.6=100 HB2 HIS 67 + H ASP 64 OK 29 73 40 100 4.9-6.9 ~2046=66, ~2110=66...(8) 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 2 assignments used, quality = 1.00: * HB VAL 63 + H ASP 64 OK 100 100 100 100 2.2-2.3 2026=93, 2.1/6826=77...(16) HG2 PRO 58 - H ASP 64 far 0 100 0 - 6.8-7.3 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 8 assignments used, quality = 1.00: * QG1 VAL 63 + H ASP 64 OK 100 100 100 100 2.8-3.4 2.1/6826=76, 4.3=75...(17) QD1 LEU 122 - H ASP 64 far 0 73 0 - 5.8-9.0 QD2 LEU 49 - H ASP 64 far 0 93 0 - 6.1-6.4 QD2 LEU 122 - H ASP 64 far 0 100 0 - 6.7-9.0 QD1 LEU 103 - H ASP 64 far 0 100 0 - 6.7-7.6 QD2 LEU 119 - H ASP 64 far 0 87 0 - 7.6-8.3 QD1 LEU 53 - H ASP 64 far 0 97 0 - 7.8-9.3 QD1 LEU 96 - H ASP 64 far 0 97 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 6826 from nnoeabs.peaks (0.91, 7.96, 120.19 ppm; 3.70 A increased from 3.48 A): 1 out of 6 assignments used, quality = 1.00: * QG2 VAL 63 + H ASP 64 OK 100 100 100 100 3.6-3.8 2.1/6825=63, 2.1/6824=61...(19) QD1 LEU 62 - H ASP 64 far 0 100 0 - 6.9-7.1 QD1 LEU 49 - H ASP 64 far 0 100 0 - 7.0-7.8 QD1 LEU 48 - H ASP 64 far 0 95 0 - 7.8-8.4 QG1 VAL 118 - H ASP 64 far 0 97 0 - 7.9-8.8 QD2 LEU 48 - H ASP 64 far 0 100 0 - 8.1-10.0 Violated in 3 structures by 0.01 A. Peak 6827 from nnoeabs.peaks (4.46, 7.96, 120.19 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 64 + H ASP 64 OK 100 100 100 100 2.7-2.7 2.9=100 HA PRO 58 - H ASP 64 far 0 100 0 - 9.2-9.5 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 2.7-2.8 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 2.3-2.4 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 1 assignment used, quality = 1.00: * H THR 65 + H ASP 64 OK 100 100 100 100 2.8-2.9 4.2=100 Violated in 0 structures by 0.00 A. Peak 6831 from nnoeabs.peaks (8.90, 7.96, 120.19 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 66 + H ASP 64 OK 100 100 100 100 4.3-4.6 3.5/6837=100...(5) H ASN 59 - H ASP 64 far 0 99 0 - 8.5-8.9 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; 4.99 A increased from 4.69 A): 2 out of 6 assignments used, quality = 1.00: * HA GLN 61 + H THR 65 OK 99 100 100 99 4.3-4.8 6819/6837=68...(6) HA LYS 36 + H ASP 35 OK 96 96 100 100 5.2-5.2 3.0/6387=94, ~6388=48...(8) HA THR 25 - H ASP 35 far 5 93 5 - 5.1-13.2 HA LYS 26 - H ASP 35 far 0 91 0 - 6.7-11.8 HA LYS 31 - H ASP 35 far 0 97 0 - 8.8-9.4 HA ARG 23 - H ASP 35 far 0 97 0 - 9.4-16.2 Violated in 0 structures by 0.00 A. Peak 6834 from nnoeabs.peaks (3.85, 8.38, 118.14 ppm; 4.05 A): 1 out of 3 assignments used, quality = 0.97: * HA LEU 62 + H THR 65 OK 97 100 100 97 3.6-3.8 3.6/6835=49...(11) HB3 SER 33 - H ASP 35 far 0 96 0 - 5.2-5.6 HA LEU 123 - H THR 65 far 0 100 0 - 10.0-10.9 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 1 assignment used, quality = 0.99: * H VAL 63 + H THR 65 OK 99 100 100 99 3.8-4.1 6815/6837=67...(13) Violated in 0 structures by 0.00 A. Peak 6836 from nnoeabs.peaks (3.37, 8.38, 118.14 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 63 + H THR 65 OK 100 100 100 100 4.0-4.3 3.6/6837=100...(14) HB2 HIS 67 + H THR 65 OK 73 73 100 99 4.9-6.6 3.8/6845=90, 2102/3.6=60...(9) Violated in 0 structures by 0.00 A. Peak 6837 from nnoeabs.peaks (7.96, 8.38, 118.14 ppm; 3.23 A): 1 out of 4 assignments used, quality = 0.91: * H ASP 64 + H THR 65 OK 91 100 100 91 2.8-2.9 4.2=45, 3.9/6840=30...(11) H ILE 37 - H ASP 35 far 0 95 0 - 4.2-4.4 H SER 38 - H ASP 35 far 0 71 0 - 8.6-8.8 H SER 51 - H THR 65 far 0 71 0 - 9.6-10.2 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 1 assignment used, quality = 1.00: * HA ASP 64 + H THR 65 OK 100 100 100 100 3.5-3.5 3.6=100 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 4 assignments used, quality = 0.99: HB3 ASP 35 + H ASP 35 OK 95 98 100 98 2.1-2.5 1.8/6383=73, 961/3.0=61...(6) * HB2 ASP 64 + H THR 65 OK 73 100 80 92 2.6-4.1 1.8/6840=52, 2052=46...(10) HB3 ASP 78 - H ASP 35 far 0 90 0 - 8.3-11.2 HB2 TYR 76 - H ASP 35 far 0 95 0 - 8.7-11.0 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 1 assignment used, quality = 1.00: * HB3 ASP 64 + H THR 65 OK 100 100 100 100 2.8-3.9 2058=96, 3.9/6837=61...(9) 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 5 assignments used, quality = 1.00: * HA THR 65 + H THR 65 OK 100 100 100 100 2.8-2.9 2.9=100 HA GLN 68 - H THR 65 far 0 76 0 - 7.5-7.9 HA LEU 100 - H THR 65 far 0 98 0 - 8.0-8.6 HB3 SER 107 - H THR 65 far 0 97 0 - 9.1-11.3 HB2 SER 51 - H THR 65 far 0 63 0 - 9.7-10.5 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 3 assignments used, quality = 0.95: * HB THR 65 + H THR 65 OK 95 100 100 95 2.5-2.8 4.0=72, 6853/3.5=40...(10) HA GLN 104 - H THR 65 far 0 76 0 - 8.6-9.6 HA LEU 122 - H THR 65 far 0 90 0 - 9.8-11.4 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 1 assignment used, quality = 1.00: * QG2 THR 65 + H THR 65 OK 100 100 100 100 3.8-3.8 4.0=100 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 2.5-2.7 3.5=100 H ASN 59 - H THR 65 far 0 99 0 - 9.8-10.2 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 3.9-4.1 6862=90, 6864/3.5=80...(14) H SER 60 - H THR 65 far 0 97 0 - 8.2-8.6 H SER 50 - H THR 65 far 0 100 0 - 9.1-9.4 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 3.9-4.4 6834/3.5=79...(8) HA LEU 123 - H GLY 66 far 0 100 0 - 8.2-9.1 HB2 SER 50 - H GLY 66 far 0 99 0 - 9.8-11.5 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 2 assignments used, quality = 1.00: * HA VAL 63 + H GLY 66 OK 100 100 100 100 3.2-3.5 2019=74, 9386/9384=71...(18) HB2 HIS 67 + H GLY 66 OK 28 73 40 95 4.4-6.3 3.8/6864=69, 4.4/6877=44...(10) 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 1 assignment used, quality = 1.00: * H THR 65 + H GLY 66 OK 100 100 100 100 2.5-2.7 3.5=100 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 6 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 - 6.4-6.7 HA GLN 68 - H GLY 66 far 0 76 0 - 7.1-7.3 HB3 SER 107 - H GLY 66 far 0 97 0 - 9.1-11.3 HA SER 50 - H GLY 66 far 0 68 0 - 9.2-9.9 HB2 SER 51 - H GLY 66 far 0 63 0 - 9.9-10.7 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 = 1.00: * HB THR 65 + H GLY 66 OK 100 100 100 100 2.3-2.7 4.5=86, 6842/3.5=65...(12) HA LEU 122 - H GLY 66 far 0 90 0 - 7.4-9.0 HA GLN 104 - H GLY 66 far 0 76 0 - 8.5-9.5 HA LEU 96 - H GLY 66 far 0 73 0 - 8.6-9.3 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 1 assignment used, quality = 1.00: * QG2 THR 65 + H GLY 66 OK 100 100 100 100 3.4-3.7 4.4=100 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 2 assignments used, quality = 1.00: * HA2 GLY 66 + H GLY 66 OK 100 100 100 100 2.8-2.8 2.9=100 HA3 GLY 66 + H GLY 66 OK 100 100 100 100 2.3-2.3 2.9=100 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 2 assignments used, quality = 1.00: * HA3 GLY 66 + H GLY 66 OK 100 100 100 100 2.3-2.3 2.9=100 HA2 GLY 66 + H GLY 66 OK 100 100 100 100 2.8-2.8 2.9=100 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 - 7.9-8.2 H SER 60 - H GLY 66 far 0 97 0 - 9.4-9.6 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 3.8-4.2 9386/9461=48...(9) HB2 HIS 67 + H HIS 67 OK 73 73 100 100 2.1-3.5 3.8=100 HB3 TYR 72 - H HIS 67 far 0 68 0 - 9.8-11.4 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 3 assignments used, quality = 1.00: * HA ASP 64 + H HIS 67 OK 100 100 100 100 3.7-4.0 2044=100, 2046/3.8=69...(9) HA SER 106 - H HIS 8 far 0 76 0 - 7.8-53.5 HA ASN 121 - H HIS 8 far 0 38 0 - 9.3-54.2 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 2 assignments used, quality = 1.00: * H THR 65 + H HIS 67 OK 100 100 100 100 3.9-4.1 6845=100, 3.5/6864=84...(14) H LYS 24 - H HIS 8 far 0 69 0 - 8.0-39.4 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 14 assignments used, quality = 1.00: * HA THR 65 + H HIS 67 OK 100 100 100 100 4.1-4.4 3.6/6864=97, 2.9/6845=92...(11) HA LEU 100 + H HIS 67 OK 98 98 100 100 6.2-6.7 3258/9461=96...(4) HA GLN 68 + H HIS 67 OK 76 76 100 100 5.2-5.4 2.9/6872=100...(7) HB3 SER 94 - H HIS 8 far 4 75 5 - 6.6-47.6 HB2 SER 124 - H HIS 8 far 2 46 5 - 6.6-55.5 HA GLU 91 - H HIS 8 far 0 70 0 - 7.9-51.2 HA VAL 20 - H HIS 8 far 0 56 0 - 8.0-38.0 HA GLN 127 - H HIS 8 far 0 76 0 - 8.1-57.6 HA2 GLY 17 - H HIS 8 far 0 71 0 - 9.0-33.3 HA3 GLY 17 - H HIS 8 far 0 71 0 - 9.3-33.1 HB3 SER 107 - H HIS 67 far 0 97 0 - 9.6-11.8 HB3 SER 107 - H HIS 8 far 0 70 0 - 9.7-56.3 HB2 SER 106 - H HIS 8 far 0 75 0 - 9.9-53.4 HB3 SER 106 - H HIS 8 far 0 72 0 - 10.0-53.9 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 = 0.99: * H GLY 66 + H HIS 67 OK 99 100 100 99 2.6-2.9 6857=82, 9384/9461=38...(13) 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 3.5-3.5 3.6=100 HA3 GLY 66 + H HIS 67 OK 100 100 100 100 2.8-2.9 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 2.8-2.9 3.6=100 HA2 GLY 66 + H HIS 67 OK 100 100 100 100 3.5-3.5 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 7 assignments used, quality = 1.00: * HA HIS 67 + H HIS 67 OK 100 100 100 100 2.8-2.8 2.9=100 HA VAL 105 - H HIS 8 far 2 42 5 - 3.9-51.6 HA GLU 128 - H HIS 8 far 0 54 0 - 4.8-55.6 HB THR 18 - H HIS 8 far 0 48 0 - 6.0-33.7 HA SER 124 - H HIS 8 far 0 50 0 - 8.0-57.1 HA SER 94 - H HIS 8 far 0 64 0 - 8.6-45.1 HA SER 99 - H HIS 8 far 0 76 0 - 9.6-49.1 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 3 assignments used, quality = 1.00: * HB2 HIS 67 + H HIS 67 OK 100 100 100 100 2.1-3.5 3.8=100 HA VAL 63 + H HIS 67 OK 62 73 100 85 3.8-4.2 9386/9461=33...(9) HB3 TYR 72 - H HIS 67 far 0 100 0 - 9.8-11.4 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 2.1-3.5 3.8=100 HA VAL 126 - H HIS 67 far 0 63 0 - 9.6-9.9 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 2 assignments used, quality = 0.99: * HD2 HIS 67 + H HIS 67 OK 99 100 100 99 3.4-3.8 2096/2.9=78...(8) QD TYR 72 - H HIS 67 far 0 100 0 - 7.8-8.7 Violated in 0 structures by 0.00 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 2.7-2.8 6880=95, 6882/3.8=38...(17) H GLU 128 - H HIS 8 far 0 54 0 - 7.3-55.0 H GLU 102 - H HIS 67 far 0 95 0 - 9.5-10.3 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 4.1-4.3 6915=100, 6893/6872=89...(15) H ASP 131 - H HIS 8 far 0 40 0 - 6.3-56.3 H ALA 21 - H HIS 8 far 0 71 0 - 7.5-34.8 H LEU 49 - H HIS 67 far 0 100 0 - 8.0-8.4 H TYR 72 - H HIS 67 far 0 76 0 - 8.2-8.6 H SER 99 - H HIS 8 far 0 73 0 - 8.5-48.0 H LEU 96 - H HIS 8 far 0 48 0 - 8.6-48.1 H SER 99 - H HIS 67 far 0 99 0 - 9.7-10.6 H VAL 126 - H HIS 67 far 0 99 0 - 9.9-10.3 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 1 assignment used, quality = 0.99: * HA ASP 64 + H GLN 68 OK 99 100 100 99 4.3-4.7 2044/6872=72...(5) 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 4 assignments used, quality = 0.99: * HA THR 65 + H GLN 68 OK 97 100 100 97 3.5-3.9 2064=45, 2140/3.7=38...(16) HA GLN 68 + H GLN 68 OK 76 76 100 100 2.7-2.8 2.9=100 HA GLU 91 - H ALA 88 far 0 75 0 - 6.9-7.3 HA LEU 100 - H GLN 68 far 0 98 0 - 8.9-9.3 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 4.4-4.7 6864/6872=83...(10) H THR 83 - H ALA 88 far 0 62 0 - 8.2-9.0 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 4.5-4.9 3.6/6872=100...(10) HA3 GLY 66 + H GLN 68 OK 100 100 100 100 4.8-5.2 3.6/6872=100...(10) 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 4.8-5.2 3.6/6872=100...(10) HA2 GLY 66 + H GLN 68 OK 100 100 100 100 4.5-4.9 3.6/6872=100...(10) 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 1 assignment used, quality = 1.00: * H HIS 67 + H GLN 68 OK 100 100 100 100 2.7-2.8 6872=100, 3.8/6882=39...(17) 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 2 assignments used, quality = 1.00: * HA HIS 67 + H GLN 68 OK 100 100 100 100 3.6-3.6 3.6=100 HA ALA 88 + H ALA 88 OK 70 70 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 6882 from nnoeabs.peaks (3.34, 7.86, 121.44 ppm; 4.03 A): 1 out of 5 assignments used, quality = 0.98: * HB2 HIS 67 + H GLN 68 OK 98 100 100 98 2.6-3.2 4.4=75, 1.8/6883=72...(8) HB2 PHE 89 - H ALA 88 far 4 44 10 - 4.5-5.0 HB3 PHE 89 - H ALA 88 far 4 76 5 - 4.6-5.3 HA VAL 63 - H GLN 68 far 0 73 0 - 6.5-6.8 HB3 TYR 72 - H GLN 68 far 0 100 0 - 8.0-9.4 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 = 0.99: * HB3 HIS 67 + H GLN 68 OK 99 100 100 99 2.6-3.2 4.4=83, 1.8/6882=80...(9) HA VAL 126 - H GLN 68 far 0 63 0 - 9.9-10.5 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 3 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 3.5-3.9 3.6/6877=35, 2064=30...(15) HA GLU 91 - H ALA 88 far 0 72 0 - 6.9-7.3 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 7 assignments used, quality = 1.00: * HB2 GLN 68 + H GLN 68 OK 100 100 100 100 2.1-3.6 3.7=94, 3.0/2150=51...(17) HG2 GLN 68 + H GLN 68 OK 95 96 100 100 2.5-4.2 2150=76, 1.8/2159=60...(16) HG2 GLU 91 - H ALA 88 far 0 77 0 - 4.5-5.0 HB2 GLN 82 - H ALA 88 far 0 65 0 - 7.2-8.2 HB3 GLU 97 - H GLN 68 far 0 100 0 - 8.9-10.4 HB3 GLN 104 - H GLN 68 far 0 100 0 - 9.2-10.0 HB3 GLU 128 - H ALA 88 far 0 79 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 6888 from nnoeabs.peaks (2.18, 7.86, 121.44 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 68 + H GLN 68 OK 100 100 100 100 2.4-3.5 3.7=100 HB3 LEU 69 - H GLN 68 far 0 95 0 - 4.5-4.7 HB2 GLN 82 - H ALA 88 far 0 52 0 - 7.2-8.2 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 7 assignments used, quality = 1.00: * HG2 GLN 68 + H GLN 68 OK 100 100 100 100 2.5-4.2 2150=79, 1.8/2159=58...(16) HB2 GLN 68 + H GLN 68 OK 95 96 100 100 2.1-3.6 3.7=91, 3.0/2150=50...(16) HG2 GLU 91 - H ALA 88 far 0 80 0 - 4.5-5.0 HB2 GLN 82 - H ALA 88 far 0 42 0 - 7.2-8.2 HB3 GLU 97 - H GLN 68 far 0 92 0 - 8.9-10.4 HB3 GLN 104 - H GLN 68 far 0 98 0 - 9.2-10.0 HB3 GLU 128 - H ALA 88 far 0 79 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 6890 from nnoeabs.peaks (2.32, 7.86, 121.44 ppm; 4.21 A increased from 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 68 + H GLN 68 OK 100 100 100 100 3.0-4.2 2159=100, 1.8/2150=83...(13) HB VAL 77 - H ALA 88 far 0 74 0 - 8.3-9.1 Violated in 0 structures by 0.00 A. Peak 6893 from nnoeabs.peaks (8.30, 7.86, 121.44 ppm; 3.74 A): 1 out of 3 assignments used, quality = 0.99: * H LEU 69 + H GLN 68 OK 99 100 100 99 2.8-2.9 6917=83, 2139/3.7=42...(15) H TYR 72 - H GLN 68 far 0 76 0 - 6.2-6.6 H LEU 49 - H GLN 68 far 0 100 0 - 7.7-8.4 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 5 assignments used, quality = 1.00: * H LEU 70 + H GLN 68 OK 100 100 100 100 4.1-4.4 6937=89, 3.6/6893=76...(15) H ASN 13 - H ALA 88 far 0 42 0 - 7.0-42.1 H ALA 12 - H ALA 88 far 0 58 0 - 7.6-43.1 H VAL 132 - H ALA 88 far 0 78 0 - 7.9-8.3 H LEU 100 - H GLN 68 far 0 78 0 - 9.7-10.3 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; 4.58 A increased from 4.31 A): 1 out of 2 assignments used, quality = 0.99: * H GLN 68 + HE21 GLN 68 OK 99 100 100 99 4.5-4.9 2150/3.5=69, 2159/3.5=65...(12) H GLU 102 - HD21 ASN 121 far 0 45 0 - 7.6-8.8 Violated in 3 structures by 0.02 A. Peak 6897 from nnoeabs.peaks (3.99, 6.86, 112.26 ppm; 5.08 A): 2 out of 11 assignments used, quality = 0.98: * HA GLN 68 + HE21 GLN 68 OK 90 100 90 100 4.1-5.8 5.2=92, 2160/3.5=84...(18) HA THR 65 + HE21 GLN 68 OK 75 76 100 99 2.5-4.4 11023/3.5=42...(15) HB3 SER 99 - HD21 ASN 121 poor 18 46 100 39 3.2-5.1 10300/3.5=14...(6) HA VAL 20 - HE21 GLN 27 far 3 70 5 - 2.8-16.0 HB2 SER 124 - HD21 ASN 121 far 0 52 0 - 7.3-8.2 HA LYS 95 - HD21 ASN 121 far 0 29 0 - 7.6-8.5 HA LEU 103 - HD21 ASN 121 far 0 33 0 - 7.7-8.4 HB2 SER 106 - HD21 ASN 121 far 0 28 0 - 8.3-11.4 HB3 SER 106 - HD21 ASN 121 far 0 43 0 - 9.2-10.1 HB3 SER 51 - HE21 GLN 68 far 0 96 0 - 9.4-12.8 HA SER 50 - HE21 GLN 68 far 0 100 0 - 9.8-13.7 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 4 assignments used, quality = 1.00: * HB2 GLN 68 + HE21 GLN 68 OK 99 100 100 99 2.4-4.2 4.6=78, 3.7/6896=48...(14) HG2 GLN 68 + HE21 GLN 68 OK 96 96 100 100 2.1-3.8 3.5=100 HB3 GLU 102 - HD21 ASN 121 far 0 48 0 - 6.5-8.0 HB3 LEU 96 - HD21 ASN 121 far 0 41 0 - 9.4-10.4 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 2 assignments used, quality = 1.00: * HB3 GLN 68 + HE21 GLN 68 OK 100 100 100 100 1.9-4.3 4.6=100 HB3 LEU 69 + HE21 GLN 68 OK 85 95 90 100 4.6-7.1 3.7/6923=64, ~11022=63...(12) 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 4 assignments used, quality = 1.00: * HG2 GLN 68 + HE21 GLN 68 OK 100 100 100 100 2.1-3.8 3.5=100 HB2 GLN 68 + HE21 GLN 68 OK 95 96 100 99 2.4-4.2 4.6=77, 3.7/6896=47...(14) HB3 GLU 102 - HD21 ASN 121 far 0 52 0 - 6.5-8.0 HB3 LEU 96 - HD21 ASN 121 far 0 51 0 - 9.4-10.4 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 4 assignments used, quality = 1.00: * HG3 GLN 68 + HE21 GLN 68 OK 100 100 100 100 2.9-4.1 3.5=100 HG2 GLN 27 + HE21 GLN 27 OK 35 35 100 100 2.4-3.6 3.5=100 HG3 GLU 30 - HE21 GLN 27 far 3 67 5 - 3.8-12.4 HG2 GLU 44 - HE21 GLN 68 far 0 93 0 - 7.1-10.4 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 4 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 far 0 51 0 - 4.1-5.2 H LEU 98 - HD21 ASN 121 far 0 32 0 - 8.0-9.5 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 1 assignment used, quality = 1.00: * H GLN 68 + HE22 GLN 68 OK 100 100 100 100 2.9-5.8 6.7=100 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 3 assignments used, quality = 1.00: * HA GLN 68 + HE22 GLN 68 OK 100 100 100 100 4.2-6.5 5.2=100 HA THR 65 + HE22 GLN 68 OK 76 76 100 100 2.6-4.1 ~11016=65, 2140/4.6=64...(14) HB3 SER 51 - HE22 GLN 68 far 0 96 0 - 9.3-12.3 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 2 assignments used, quality = 1.00: * HB2 GLN 68 + HE22 GLN 68 OK 100 100 100 100 1.9-4.2 4.6=100 HG2 GLN 68 + HE22 GLN 68 OK 96 96 100 100 2.8-4.1 3.5=100 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 2 assignments used, quality = 1.00: * HB3 GLN 68 + HE22 GLN 68 OK 100 100 100 100 1.7-4.6 4.6=100 HB3 LEU 69 + HE22 GLN 68 OK 94 95 100 100 6.2-7.4 ~11022=72, ~11023=69...(10) 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 2 assignments used, quality = 1.00: * HG2 GLN 68 + HE22 GLN 68 OK 100 100 100 100 2.8-4.1 3.5=100 HB2 GLN 68 + HE22 GLN 68 OK 96 96 100 100 1.9-4.2 4.6=100 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 2 assignments used, quality = 1.00: * HG3 GLN 68 + HE22 GLN 68 OK 100 100 100 100 3.4-4.0 3.5=100 HG2 GLU 44 - HE22 GLN 68 far 14 93 15 - 6.8-11.2 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 2 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 - 8.1-11.6 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 3 assignments used, quality = 1.00: * HA THR 65 + H LEU 69 OK 100 100 100 100 4.5-4.8 2064/6893=79...(15) HA GLN 68 + H LEU 69 OK 76 76 100 100 3.5-3.5 3.6=100 HA LEU 100 - H LEU 69 far 0 98 0 - 9.2-9.7 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 3.5-3.7 3.6/6915=89, 4.9/6916=85...(19) HA3 GLY 66 + H LEU 69 OK 100 100 100 100 4.7-4.9 3.6/6915=89, 4.9/6916=85...(17) 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 4.7-4.9 3.6/6915=89, 4.9/6916=85...(17) HA2 GLY 66 + H LEU 69 OK 100 100 100 100 3.5-3.7 3.6/6915=89, 4.9/6916=85...(19) 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 4.1-4.3 6873=95, 6872/6893=87...(15) H SER 50 - H LEU 69 far 0 100 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 6916 from nnoeabs.peaks (4.22, 8.30, 120.25 ppm; 4.56 A increased from 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 67 + H LEU 69 OK 100 100 100 100 4.3-4.4 3.6/6893=70, 6936/3.6=60...(12) Violated in 0 structures by 0.00 A. Peak 6917 from nnoeabs.peaks (7.86, 8.30, 120.25 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 68 + H LEU 69 OK 100 100 100 100 2.8-2.9 6893=100, 3.7/2139=48...(15) 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 2 assignments used, quality = 1.00: * HA GLN 68 + H LEU 69 OK 100 100 100 100 3.5-3.5 3.6=100 HA THR 65 + H LEU 69 OK 75 76 100 99 4.5-4.8 3.2/11068=60...(15) 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 4 assignments used, quality = 1.00: * HB2 GLN 68 + H LEU 69 OK 100 100 100 100 3.4-3.7 4.4=100 HG2 GLN 68 + H LEU 69 OK 96 96 100 100 1.8-3.2 2158=89, 1.8/6922=73...(22) HB3 LEU 96 - H LEU 69 far 0 89 0 - 8.1-8.7 HB3 GLU 97 - H LEU 69 far 0 100 0 - 8.2-9.7 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 2 assignments used, quality = 1.00: * HB3 GLN 68 + H LEU 69 OK 100 100 100 100 3.8-4.1 4.4=94, 1.8/2139=82...(15) HB3 LEU 69 + H LEU 69 OK 95 95 100 100 2.0-2.1 3.7=100 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 4 assignments used, quality = 1.00: * HG2 GLN 68 + H LEU 69 OK 100 100 100 100 1.8-3.2 2158=87, 1.8/6922=69...(22) HB2 GLN 68 + H LEU 69 OK 96 96 100 100 3.4-3.7 4.4=95, 3.7/6893=63...(17) HB3 LEU 96 - H LEU 69 far 0 100 0 - 8.1-8.7 HB3 GLU 97 - H LEU 69 far 0 92 0 - 8.2-9.7 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 2 assignments used, quality = 1.00: * HG3 GLN 68 + H LEU 69 OK 100 100 100 100 1.8-3.0 1.8/2158=82, 2160/3.6=75...(17) HG2 GLU 44 - H LEU 69 far 0 93 0 - 8.7-12.0 Violated in 0 structures by 0.00 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 3.9-5.7 3.5/2158=94, 3.5/6922=93...(12) 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 2 assignments used, quality = 1.00: * HA LEU 69 + H LEU 69 OK 100 100 100 100 2.8-2.8 2.9=100 HA ASP 47 - H LEU 69 far 0 96 0 - 9.9-10.4 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 1 assignment used, quality = 1.00: * HB2 LEU 69 + H LEU 69 OK 100 100 100 100 3.3-3.4 3.7=100 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 3 assignments used, quality = 1.00: * HB3 LEU 69 + H LEU 69 OK 100 100 100 100 2.0-2.1 3.7=100 HB3 GLN 68 + H LEU 69 OK 94 95 100 100 3.8-4.1 4.4=87, 1.8/2139=79...(14) HB2 GLU 97 - H LEU 69 far 0 65 0 - 7.6-10.5 Violated in 0 structures by 0.00 A. Peak 6928 from nnoeabs.peaks (1.51, 8.30, 120.25 ppm; 4.99 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 69 + H LEU 69 OK 100 100 100 100 4.2-4.4 5.2=90, ~2208=60...(13) HB2 LEU 49 - H LEU 69 far 0 89 0 - 6.6-7.5 HG LEU 42 - H LEU 69 far 0 63 0 - 6.6-7.1 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 1 assignment used, quality = 1.00: * QD1 LEU 69 + H LEU 69 OK 100 100 100 100 3.9-4.1 4.3=100 Violated in 0 structures by 0.00 A. Peak 6930 from nnoeabs.peaks (0.87, 8.30, 120.25 ppm; 4.08 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 69 + H LEU 69 OK 100 100 100 100 2.3-2.8 4.9=57, 2.1/6928=51...(19) QD2 LEU 70 + H LEU 69 OK 88 95 100 93 4.2-4.5 2268/3.6=55...(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 2.6-2.8 3.6=100 H ASP 47 - H LEU 69 far 0 99 0 - 8.3-8.6 H LEU 100 - H LEU 69 far 0 78 0 - 9.4-9.9 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 2 assignments used, quality = 1.00: * H ASP 71 + H LEU 69 OK 100 100 100 100 4.4-4.6 6956/3.6=75, 6957=56...(14) H ALA 15 - H LEU 69 far 0 100 0 - 9.5-39.9 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 4.6-4.9 3.6/11100=92...(12) HA3 GLY 66 + H LEU 70 OK 100 100 100 100 5.3-5.6 3.6/11100=92...(11) 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 5.3-5.6 3.6/11100=92...(11) HA2 GLY 66 + H LEU 70 OK 100 100 100 100 4.6-4.9 3.6/11100=92...(12) 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 2 assignments used, quality = 1.00: * HA HIS 67 + H LEU 70 OK 100 100 100 100 3.3-3.5 2099=98, 11089/2268=64...(20) HA SER 94 - H LEU 70 far 0 92 0 - 8.7-9.4 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 1 assignment used, quality = 1.00: * H GLN 68 + H LEU 70 OK 100 100 100 100 4.1-4.4 6894=100, 6893/3.6=80...(15) Violated in 0 structures by 0.00 A. Peak 6938 from nnoeabs.peaks (3.99, 8.46, 121.15 ppm; 4.53 A increased from 4.26 A): 1 out of 2 assignments used, quality = 0.99: * HA GLN 68 + H LEU 70 OK 99 100 100 99 4.1-4.4 6956/3.4=63, 2.9/6894=59...(12) HA THR 65 - H LEU 70 far 0 76 0 - 6.9-7.2 Violated in 0 structures by 0.00 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 2.6-2.8 3.6=100 H TYR 72 + H LEU 70 OK 74 76 100 98 3.9-4.3 6974=46, 6973/3.6=38...(21) H LEU 96 - H LEU 70 far 0 73 0 - 8.4-8.7 H LEU 49 - H LEU 70 far 0 100 0 - 8.9-9.4 H VAL 126 - H LEU 70 far 0 99 0 - 9.0-9.5 H SER 99 - H LEU 70 far 0 99 0 - 9.7-10.6 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 1 assignment used, quality = 1.00: * HA LEU 69 + H LEU 70 OK 100 100 100 100 3.5-3.5 3.6=100 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 1 assignment used, quality = 0.97: * HB2 LEU 69 + H LEU 70 OK 97 100 100 97 2.9-3.3 4.4=60, 3.2/6944=38...(15) Violated in 0 structures by 0.00 A. Peak 6942 from nnoeabs.peaks (2.16, 8.46, 121.15 ppm; 4.61 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 69 + H LEU 70 OK 100 100 100 100 3.0-3.3 4.4=100 HB2 GLU 97 - H LEU 70 far 0 65 0 - 5.4-8.1 HB3 GLN 68 - H LEU 70 far 0 95 0 - 5.6-5.8 Violated in 0 structures by 0.00 A. Peak 6943 from nnoeabs.peaks (1.51, 8.46, 121.15 ppm; 5.48 A increased from 4.62 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 69 + H LEU 70 OK 100 100 100 100 5.1-5.3 2.9/6941=95, 2.1/6944=90...(9) HG LEU 42 - H LEU 70 far 0 63 0 - 7.2-7.7 HB2 LEU 49 - H LEU 70 far 0 89 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 6944 from nnoeabs.peaks (1.01, 8.46, 121.15 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 69 + H LEU 70 OK 100 100 100 100 4.3-4.5 3.2/6941=81, 2208/3.6=78...(11) 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 3 assignments used, quality = 1.00: * QD2 LEU 69 + H LEU 70 OK 99 100 100 99 4.4-4.6 3.0/6941=69, 2.1/6944=59...(12) QD2 LEU 70 + H LEU 70 OK 95 95 100 100 2.3-2.8 2268=91, 2269/2.9=76...(21) QD2 LEU 98 - H LEU 70 far 0 99 0 - 8.9-11.4 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 3 assignments used, quality = 1.00: * HA LEU 70 + H LEU 70 OK 100 100 100 100 2.8-2.8 2.9=100 HA ALA 46 - H LEU 70 far 0 93 0 - 7.4-7.6 HA3 GLY 75 - H LEU 70 far 0 78 0 - 9.0-9.4 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 3.4-3.5 3.2=100 HB3 LEU 70 + H LEU 70 OK 100 100 100 100 2.1-2.2 3.2=100 HG3 ARG 90 - H LEU 70 far 0 81 0 - 9.9-13.5 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 2.1-2.2 3.2=100 HB2 LEU 70 + H LEU 70 OK 100 100 100 100 3.4-3.5 3.2=100 HG3 ARG 90 - H LEU 70 far 0 87 0 - 9.9-13.5 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 3.4-4.1 2.1/2268=93, 5.0=77...(21) HG LEU 122 - H LEU 70 far 0 99 0 - 7.5-10.7 HB2 LEU 122 - H LEU 70 far 0 100 0 - 7.9-8.6 Violated in 0 structures by 0.00 A. Peak 6950 from nnoeabs.peaks (0.82, 8.46, 121.15 ppm; 4.41 A increased from 3.92 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 70 + H LEU 70 OK 100 100 100 100 4.1-4.3 4.3=100 QD2 LEU 49 - H LEU 70 far 0 78 0 - 5.6-5.8 QD1 LEU 122 - H LEU 70 far 0 96 0 - 5.6-7.4 QG2 ILE 129 - H LEU 70 far 0 100 0 - 6.5-7.4 QD1 LEU 53 - H LEU 70 far 0 71 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 6951 from nnoeabs.peaks (0.86, 8.46, 121.15 ppm; 4.33 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 70 + H LEU 70 OK 100 100 100 100 2.3-2.8 2268=100, 2269/2.9=85...(21) QD2 LEU 69 + H LEU 70 OK 94 95 100 99 4.4-4.6 3.0/6941=72, 2.1/6944=62...(12) QD2 LEU 98 - H LEU 70 far 0 83 0 - 8.9-11.4 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 2.6-2.9 3.4=100 H ALA 15 - H LEU 70 far 0 100 0 - 7.2-38.1 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 3.9-4.3 6974=81, 6973/3.6=63...(21) H LEU 69 + H LEU 70 OK 76 76 100 100 2.6-2.8 3.6=100 H LEU 49 - H LEU 70 far 0 85 0 - 8.9-9.4 H SER 99 - H LEU 70 far 0 57 0 - 9.7-10.6 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 4 assignments used, quality = 1.00: * HA HIS 67 + H ASP 71 OK 100 100 100 100 4.3-4.9 6936/3.4=81...(11) HB THR 25 - H ASP 71 far 0 90 0 - 7.8-25.0 HA ALA 34 - H ASP 71 far 0 99 0 - 9.4-11.0 HA SER 94 - H ASP 71 far 0 92 0 - 9.8-10.5 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 3 assignments used, quality = 1.00: * HA GLN 68 + H ASP 71 OK 100 100 100 100 3.4-3.7 2127=66, 2129/6968=63...(14) HA THR 65 - H ASP 71 far 0 76 0 - 8.3-8.6 HA ILE 37 - H ASP 71 far 0 65 0 - 9.6-10.9 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 2 assignments used, quality = 1.00: * H LEU 69 + H ASP 71 OK 98 100 100 98 4.4-4.6 6932=61, 3.6/6956=57...(14) H TYR 72 + H ASP 71 OK 76 76 100 100 2.7-2.9 3.4=100 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 4.6-4.8 6973/3.4=99, 2.9/6932=91...(14) HA2 GLY 75 - H ASP 71 far 0 95 0 - 8.1-8.6 HA LYS 24 - H ASP 71 far 0 100 0 - 8.6-25.1 HA TYR 76 - H ASP 71 far 0 85 0 - 9.9-10.1 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 2.6-2.9 3.4=100 H ASN 13 - H ASP 71 far 0 60 0 - 9.7-33.6 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 3.6-3.6 3.6=100 HA3 GLY 75 - H ASP 71 far 0 78 0 - 6.9-7.5 HB3 SER 33 - H ASP 71 far 0 57 0 - 8.0-9.5 HA ALA 46 - H ASP 71 far 0 93 0 - 9.1-9.6 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 2.8-3.0 4.3=89, 3.2/6965=49...(25) HB3 LEU 70 + H ASP 71 OK 100 100 100 100 2.5-2.9 4.3=89, 3.2/6965=49...(25) 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 2.5-2.9 4.3=89, 3.2/6965=49...(25) HB2 LEU 70 + H ASP 71 OK 100 100 100 100 2.8-3.0 4.3=89, 3.2/6965=49...(25) 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 4 assignments used, quality = 1.00: * QD1 LEU 70 + H ASP 71 OK 100 100 100 100 4.3-4.5 2267=100, 2261/3.6=82...(22) QD2 LEU 49 - H ASP 71 far 0 78 0 - 7.7-8.1 QG2 ILE 129 - H ASP 71 far 0 100 0 - 7.7-8.5 QD1 LEU 122 - H ASP 71 far 0 96 0 - 7.9-9.7 Violated in 0 structures by 0.00 A. Peak 6965 from nnoeabs.peaks (0.86, 8.14, 121.15 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 70 + H ASP 71 OK 100 100 100 100 4.2-4.4 2275=93, 2269/3.6=84...(20) QD2 LEU 69 - H ASP 71 far 0 95 0 - 5.9-6.2 QD2 LEU 98 - H ASP 71 far 0 83 0 - 10.0-12.7 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 1 assignment used, quality = 1.00: * HA ASP 71 + H ASP 71 OK 100 100 100 100 2.7-2.8 2.8=100 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 2.4-3.5 2285=88, 1.8/6968=79...(10) 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 2.1-2.6 2291=77, 1.8/6967=66...(14) HB2 ASN 13 - H ASP 71 far 0 100 0 - 7.4-35.2 Violated in 0 structures by 0.00 A. Peak 6969 from nnoeabs.peaks (8.32, 8.14, 121.15 ppm; 4.32 A): 2 out of 2 assignments used, quality = 1.00: * H TYR 72 + H ASP 71 OK 100 100 100 100 2.7-2.9 3.4=100 H LEU 69 + H ASP 71 OK 73 76 100 97 4.4-4.6 3.6/6956=56, 6932=38...(14) 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 3.9-4.4 6990=83, 6989/3.6=76...(14) 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): 1 out of 3 assignments used, quality = 1.00: * HA GLN 68 + H TYR 72 OK 100 100 100 100 4.2-4.7 6956/3.4=93...(12) HA ILE 37 - H TYR 72 far 0 65 0 - 7.2-8.4 HA THR 65 - H TYR 72 far 0 76 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 6973 from nnoeabs.peaks (4.33, 8.32, 120.30 ppm; 3.73 A increased from 3.14 A): 1 out of 3 assignments used, quality = 0.99: * HA LEU 69 + H TYR 72 OK 99 100 100 99 3.4-3.6 3.6/6974=38...(22) HA2 GLY 75 - H TYR 72 far 0 95 0 - 6.9-7.3 HA TYR 76 - H TYR 72 far 0 85 0 - 7.5-7.8 Violated in 0 structures by 0.00 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 3.9-4.3 3.6/6973=71, 6953=57...(21) 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 4.2-4.5 2.9/6974=99, 6989/3.5=96...(11) HA3 GLY 75 + H TYR 72 OK 52 78 100 67 5.4-6.0 7003/6986=33...(3) HB3 SER 33 - H TYR 72 lone 1 57 50 3 7.1-8.2 HA ALA 46 - H TYR 72 far 0 93 0 - 8.1-8.6 HA ALA 41 - H TYR 72 far 0 63 0 - 8.9-9.8 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 2.7-2.9 3.4=100 H ALA 15 - H TYR 72 far 0 100 0 - 7.7-36.1 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 2 assignments used, quality = 1.00: * HA ASP 71 + H TYR 72 OK 100 100 100 100 3.5-3.6 3.6=100 HA SER 33 - H TYR 72 far 0 85 0 - 9.2-10.8 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 2 assignments used, quality = 1.00: * HB2 ASP 71 + H TYR 72 OK 100 100 100 100 3.1-4.0 2289=88, 1.8/6979=84...(13) HB3 CYS 79 - H TYR 72 far 0 89 0 - 10.0-10.5 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 2 assignments used, quality = 1.00: * HB3 ASP 71 + H TYR 72 OK 100 100 100 100 2.5-3.2 2295=71, 1.8/6978=68...(13) HB2 ASN 13 - H TYR 72 far 0 100 0 - 9.7-36.1 Violated in 0 structures by 0.00 A. Peak 6980 from nnoeabs.peaks (4.55, 8.32, 120.30 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 72 + H TYR 72 OK 100 100 100 100 2.9-2.9 2.9=100 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 2.3-3.6 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): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 72 + H TYR 72 OK 100 100 100 100 2.7-3.6 3.8=100 HB3 CYS 73 - H TYR 72 far 0 85 0 - 5.8-6.0 HB2 HIS 67 - H TYR 72 far 0 100 0 - 7.0-8.7 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 2.8-3.4 4.5=68, 11028/6973=43...(19) HD2 HIS 67 - H TYR 72 far 0 100 0 - 8.6-9.2 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 1 assignment used, quality = 1.00: * QE TYR 72 + H TYR 72 OK 100 100 100 100 4.2-4.9 2.2/6983=98, 2301/2.9=80...(13) 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 2.3-2.6 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 2 assignments used, quality = 1.00: * H SER 74 + H TYR 72 OK 100 100 100 100 4.1-4.6 7005=100, 7007/3.5=92...(10) H ALA 34 - H TYR 72 far 0 71 0 - 8.9-10.7 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): 1 out of 3 assignments used, quality = 1.00: * HA LEU 69 + H CYS 73 OK 100 100 100 100 3.4-4.1 6973/3.5=88...(20) HA2 GLY 75 - H CYS 73 far 0 95 0 - 6.4-6.8 HA TYR 76 - H CYS 73 far 0 85 0 - 6.5-7.0 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 4 assignments used, quality = 1.00: * HA LEU 70 + H CYS 73 OK 100 100 100 100 3.1-3.7 2231=83, 2233/3.8=61...(20) HA3 GLY 75 - H CYS 73 far 0 78 0 - 5.3-5.9 HA ALA 46 - H CYS 73 far 0 93 0 - 7.4-8.3 HB3 SER 33 - H CYS 73 far 0 57 0 - 8.3-9.6 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 2 assignments used, quality = 1.00: * H ASP 71 + H CYS 73 OK 100 100 100 100 3.9-4.4 6970=100, 3.6/6989=83...(14) H ALA 15 - H CYS 73 far 0 100 0 - 7.8-37.2 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 1 assignment used, quality = 1.00: * HA ASP 71 + H CYS 73 OK 100 100 100 100 4.3-5.0 7004/7007=88...(10) 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 2.3-2.6 3.5=100 H LEU 69 - H CYS 73 far 0 76 0 - 5.6-5.9 H GLU 44 - H CYS 73 far 0 97 0 - 9.9-10.7 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 2 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 - 9.9-10.8 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 2.4-4.1 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 3.0-4.1 4.4=100 HB3 CYS 73 + H CYS 73 OK 85 85 100 100 3.5-3.6 3.8=100 HB2 HIS 67 - H CYS 73 far 0 100 0 - 8.8-9.9 HB3 PHE 89 - H CYS 73 far 0 99 0 - 8.8-9.4 HB2 PHE 89 - H CYS 73 far 0 68 0 - 9.5-9.9 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 4.1-4.5 6983/3.5=87...(16) HD2 HIS 67 - H CYS 73 far 0 100 0 - 9.3-9.7 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 1 assignment used, quality = 1.00: * HA CYS 73 + H CYS 73 OK 100 100 100 100 2.8-2.9 2.9=100 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 4 assignments used, quality = 1.00: * HB2 CYS 73 + H CYS 73 OK 100 100 100 100 2.3-2.4 3.8=100 HB2 TYR 76 + H CYS 73 OK 41 97 45 94 4.4-5.2 9617/9565=37, ~11160=33...(10) HB3 ASP 78 - H CYS 73 far 0 97 0 - 9.7-10.6 HB2 CYS 125 - H CYS 73 far 0 96 0 - 10.0-11.9 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 3.5-3.6 3.8=100 HB3 TYR 72 + H CYS 73 OK 84 85 100 99 3.0-4.1 4.4=87, 2.7/6996=42...(12) HB2 HIS 67 - H CYS 73 far 0 81 0 - 8.8-9.9 HB3 PHE 89 - H CYS 73 far 0 96 0 - 8.8-9.4 HB2 PHE 89 - H CYS 73 far 0 99 0 - 9.5-9.9 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 3 assignments used, quality = 1.00: * H SER 74 + H CYS 73 OK 100 100 100 100 2.7-2.9 3.8=100 H VAL 93 - H CYS 73 far 0 63 0 - 8.6-8.9 H ALA 34 - H CYS 73 far 0 71 0 - 9.5-11.4 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 6 assignments used, quality = 1.00: * HA LEU 70 + H SER 74 OK 99 100 100 99 3.1-3.8 2233/7010=56...(10) HA3 GLY 75 + H SER 74 OK 74 78 100 94 4.6-5.1 2.9/7014=80, 3.5/9582=53...(6) HB3 SER 33 - H SER 74 far 0 57 0 - 8.2-9.8 HB2 SER 94 - H SER 74 far 0 81 0 - 8.3-9.4 HA LYS 86 - H SER 74 far 0 99 0 - 9.6-10.1 HA ALA 46 - H SER 74 far 0 93 0 - 9.9-10.8 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 1 assignment used, quality = 1.00: * HA ASP 71 + H SER 74 OK 100 100 100 100 4.1-4.4 2281=97, 3.6/7005=40...(7) 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 4.1-4.6 6986=100, 3.5/7007=92...(10) H GLY 17 - H SER 74 far 0 100 0 - 7.4-35.8 H LEU 69 - H SER 74 far 0 76 0 - 7.4-8.3 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 1 assignment used, quality = 0.99: * HA TYR 72 + H SER 74 OK 99 100 100 99 4.7-5.1 3.6/7007=90, 2.9/6986=69...(4) 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 2.7-2.9 3.8=88, 3.8/7010=40...(12) 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 2 assignments used, quality = 1.00: * HA CYS 73 + H SER 74 OK 100 100 100 100 3.6-3.6 3.6=100 HA ASP 78 - H SER 74 far 0 100 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 7009 from nnoeabs.peaks (2.75, 8.41, 115.94 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: * HB2 CYS 73 + H SER 74 OK 100 100 100 100 2.3-2.5 4.4=86, 1.8/7010=81...(13) HB2 TYR 76 - H SER 74 far 0 97 0 - 5.2-6.3 HB3 ASP 78 - H SER 74 far 0 97 0 - 7.7-8.8 Violated in 0 structures by 0.00 A. Peak 7010 from nnoeabs.peaks (3.32, 8.41, 115.94 ppm; 4.04 A): 1 out of 5 assignments used, quality = 0.99: * HB3 CYS 73 + H SER 74 OK 99 100 100 99 3.0-3.3 4.4=75, 1.8/7009=71...(12) HB3 TYR 72 - H SER 74 far 0 85 0 - 5.5-6.3 HB3 PHE 89 - H SER 74 far 0 96 0 - 8.0-8.8 HB2 PHE 89 - H SER 74 far 0 99 0 - 9.3-9.7 HB2 HIS 67 - H SER 74 far 0 81 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 7011 from nnoeabs.peaks (4.29, 8.41, 115.94 ppm; 3.42 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 74 + H SER 74 OK 100 100 100 100 2.8-2.9 2.9=100 HA2 GLY 75 - H SER 74 far 0 65 0 - 5.0-5.4 HA ALA 15 - H SER 74 far 0 99 0 - 5.0-38.1 HA ALA 16 - H SER 74 far 0 92 0 - 6.5-38.2 HA TYR 76 - H SER 74 far 0 81 0 - 6.8-7.1 HA THR 25 - H SER 74 far 0 100 0 - 8.9-20.2 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 3 assignments used, quality = 0.98: * HB2 SER 74 + H SER 74 OK 87 100 100 87 2.1-3.3 3.9=73, 4.6/7014=31...(7) HB3 SER 74 + H SER 74 OK 86 100 100 86 2.1-3.6 3.9=73, 4.6/7014=31...(6) HA PHE 89 - H SER 74 far 0 87 0 - 8.9-9.8 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 3 assignments used, quality = 0.98: HB2 SER 74 + H SER 74 OK 87 100 100 87 2.1-3.3 3.9=73, 4.6/7014=31...(7) * HB3 SER 74 + H SER 74 OK 86 100 100 86 2.1-3.6 3.9=73, 4.6/7014=31...(6) HA PHE 89 - H SER 74 far 0 89 0 - 8.9-9.8 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 2.4-2.7 7016=91, 3.1/9582=35...(12) 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 2.4-2.7 7014=100, 9582/3.1=38...(12) H ALA 34 - H GLY 75 far 0 71 0 - 6.8-8.5 H ASP 35 - H GLY 75 far 0 81 0 - 8.6-10.4 H VAL 93 - H GLY 75 far 0 63 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 7017 from nnoeabs.peaks (4.29, 7.79, 107.45 ppm; 3.74 A): 2 out of 9 assignments used, quality = 1.00: * HA SER 74 + H GLY 75 OK 100 100 100 100 3.4-3.5 3.6=100 HA2 GLY 75 + H GLY 75 OK 65 65 100 100 2.9-2.9 2.9=100 HA TYR 76 - H GLY 75 far 0 81 0 - 4.7-5.0 HA ALA 15 - H GLY 75 far 0 99 0 - 5.4-36.5 HA ALA 16 - H GLY 75 far 0 92 0 - 7.4-36.4 HA THR 25 - H GLY 75 far 0 100 0 - 8.6-17.5 HA LYS 19 - H GLY 75 far 0 73 0 - 9.7-31.8 HA ALA 21 - H GLY 75 far 0 100 0 - 9.9-27.2 HA ALA 12 - H GLY 75 far 0 99 0 - 9.9-35.0 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: HB3 SER 74 + H GLY 75 OK 96 100 100 96 3.1-4.4 4.6=76, 3.9/7014=58...(11) * HB2 SER 74 + H GLY 75 OK 96 100 100 96 3.0-4.4 4.6=76, 3.9/7014=58...(10) HA PHE 89 - H GLY 75 far 0 87 0 - 9.8-10.6 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: * HB3 SER 74 + H GLY 75 OK 96 100 100 96 3.1-4.4 4.6=76, 3.9/7014=58...(11) HB2 SER 74 + H GLY 75 OK 96 100 100 96 3.0-4.4 4.6=76, 3.9/7014=58...(10) HA PHE 89 - H GLY 75 far 0 89 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 7020 from nnoeabs.peaks (4.32, 7.79, 107.45 ppm; 3.37 A): 2 out of 7 assignments used, quality = 1.00: * HA2 GLY 75 + H GLY 75 OK 100 100 100 100 2.9-2.9 2.9=100 HA SER 74 + H GLY 75 OK 64 65 100 97 3.4-3.5 3.6=84, 2.9/7014=49...(11) HA TYR 76 - H GLY 75 far 0 99 0 - 4.7-5.0 HA LEU 69 - H GLY 75 far 0 95 0 - 7.2-7.5 HA THR 25 - H GLY 75 far 0 65 0 - 8.6-17.5 HA LYS 24 - H GLY 75 far 0 89 0 - 9.3-21.5 HA ALA 21 - H GLY 75 far 0 63 0 - 9.9-27.2 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 6 assignments used, quality = 1.00: * HA3 GLY 75 + H GLY 75 OK 100 100 100 100 2.3-2.4 2.9=100 HA LEU 70 - H GLY 75 far 0 78 0 - 5.5-5.8 HB2 SER 33 - H GLY 75 far 0 99 0 - 7.9-8.9 HA LYS 86 - H GLY 75 far 0 90 0 - 9.6-10.1 HA2 GLY 14 - H GLY 75 far 0 92 0 - 9.8-33.2 HA3 GLY 14 - H GLY 75 far 0 90 0 - 10.0-34.6 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 4 assignments used, quality = 1.00: * H TYR 76 + H GLY 75 OK 100 100 100 100 2.1-2.3 3.1=100 H CYS 79 - H GLY 75 far 0 100 0 - 6.6-6.7 H ALA 16 - H GLY 75 far 0 95 0 - 6.7-36.5 H VAL 20 - H GLY 75 far 0 83 0 - 10.0-30.3 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 2 assignments used, quality = 1.00: * H GLY 75 + H TYR 76 OK 100 100 100 100 2.1-2.3 3.1=100 H GLY 75 - H ALA 16 far 0 48 0 - 6.7-36.5 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 10 assignments used, quality = 1.00: * HA2 GLY 75 + H TYR 76 OK 100 100 100 100 3.4-3.5 3.5=100 HA TYR 76 + H TYR 76 OK 99 99 100 100 2.9-2.9 3.0=100 HA SER 74 + H TYR 76 OK 30 65 50 90 4.3-4.5 11188/9611=31...(11) HA THR 18 - H ALA 16 far 0 26 0 - 5.9-8.3 HA SER 74 - H ALA 16 far 0 25 0 - 6.2-37.3 HA2 GLY 75 - H ALA 16 far 0 48 0 - 6.6-34.2 HA PRO 81 - H ALA 16 far 0 35 0 - 7.3-41.8 HA LEU 69 - H TYR 76 far 0 95 0 - 7.6-7.7 HA ALA 21 - H ALA 16 far 0 24 0 - 8.3-12.0 HA ALA 21 - H TYR 76 far 0 63 0 - 9.4-27.9 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 11 assignments used, quality = 1.00: * HA3 GLY 75 + H TYR 76 OK 100 100 100 100 2.9-3.1 3.5=100 HA3 GLY 14 - H ALA 16 far 4 38 10 - 4.4-7.1 HA2 GLY 14 - H ALA 16 far 2 39 5 - 3.4-7.0 HA2 GLY 2 - H ALA 16 far 0 44 0 - 6.8-45.4 HA LEU 70 - H TYR 76 far 0 78 0 - 6.8-7.1 HA3 GLY 75 - H ALA 16 far 0 48 0 - 7.2-34.5 HB2 SER 94 - H ALA 16 far 0 48 0 - 7.6-42.2 HA3 GLY 2 - H ALA 16 far 0 44 0 - 8.0-46.4 HA LEU 70 - H ALA 16 far 0 31 0 - 8.1-40.1 HA LYS 86 - H TYR 76 far 0 90 0 - 8.4-8.8 HB2 SER 33 - H TYR 76 far 0 99 0 - 8.7-9.8 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 13 assignments used, quality = 1.00: * HA TYR 76 + H TYR 76 OK 100 100 100 100 2.9-2.9 3.0=100 HA2 GLY 75 + H TYR 76 OK 99 99 100 100 3.4-3.5 3.5=100 HA SER 74 + H TYR 76 OK 37 81 50 91 4.3-4.5 11188/9611=35...(11) HA ALA 15 + H ALA 16 OK 25 25 100 100 2.1-2.9 3.6=100 HA THR 18 - H ALA 16 far 0 34 0 - 5.9-8.3 HA SER 74 - H ALA 16 far 0 33 0 - 6.2-37.3 HA2 GLY 75 - H ALA 16 far 0 46 0 - 6.6-34.2 HA PRO 81 - H ALA 16 far 0 28 0 - 7.3-41.8 HA LEU 69 - H TYR 76 far 0 85 0 - 7.6-7.7 HA ALA 15 - H TYR 76 far 0 65 0 - 7.6-37.5 HA ALA 12 - H ALA 16 far 0 25 0 - 7.7-13.3 HA ALA 21 - H ALA 16 far 0 31 0 - 8.3-12.0 HA ALA 21 - H TYR 76 far 0 78 0 - 9.4-27.9 Violated in 0 structures by 0.00 A. Peak 7028 from nnoeabs.peaks (2.76, 8.04, 121.95 ppm; 3.70 A): 1 out of 7 assignments used, quality = 1.00: * HB2 TYR 76 + H TYR 76 OK 100 100 100 100 2.5-2.7 3.8=91, 1.8/7029=73...(14) HB2 CYS 73 - H TYR 76 far 0 97 0 - 5.0-5.5 HB3 ASP 78 - H TYR 76 far 0 81 0 - 6.2-6.7 HB3 ASN 13 - H ALA 16 far 0 42 0 - 7.3-10.6 HB2 CYS 73 - H ALA 16 far 0 43 0 - 8.3-40.6 HB3 ASP 78 - H ALA 16 far 0 33 0 - 8.6-34.4 HB3 ASP 35 - H TYR 76 far 0 98 0 - 10.0-12.1 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 2.5-2.8 3.8=93, 1.8/7028=74...(14) HB3 HIS 3 - H ALA 16 far 0 30 0 - 5.4-42.1 HB2 HIS 4 - H ALA 16 far 0 29 0 - 9.9-38.9 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 4.2-4.2 4.6=90, 2.6/7028=81...(20) QE TYR 76 - H TYR 76 far 0 57 0 - 6.2-6.3 Violated in 0 structures by 0.00 A. Peak 7031 from nnoeabs.peaks (6.47, 8.04, 121.95 ppm; 5.15 A): 1 out of 2 assignments used, quality = 0.57: QD TYR 76 + H TYR 76 OK 57 57 100 100 4.2-4.2 4.6=100 ! QE TYR 76 - H TYR 76 far 0 100 0 - 6.2-6.3 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 4 assignments used, quality = 1.00: * H VAL 77 + H TYR 76 OK 100 100 100 100 2.3-2.5 3.1=100 HE22 GLN 27 - H ALA 16 far 0 45 0 - 6.7-27.4 H GLN 82 - H ALA 16 far 0 41 0 - 8.1-44.6 H VAL 77 - H ALA 16 far 0 48 0 - 9.5-38.6 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 4 assignments used, quality = 0.99: * H ASP 78 + H TYR 76 OK 99 100 100 99 4.1-4.3 7052/9611=67...(11) HD21 ASN 13 - H ALA 16 far 0 40 0 - 6.5-12.2 H GLN 82 - H ALA 16 far 0 26 0 - 8.1-44.6 H ASP 78 - H ALA 16 far 0 48 0 - 9.1-36.5 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 4 assignments used, quality = 1.00: * H TYR 76 + H VAL 77 OK 100 100 100 100 2.3-2.5 3.1=100 H CYS 79 + H VAL 77 OK 92 100 100 92 3.9-4.0 9697/7043=35...(15) H VAL 20 - H VAL 77 far 0 83 0 - 9.1-32.0 H ALA 16 - H VAL 77 far 0 95 0 - 9.5-38.6 Violated in 0 structures by 0.00 A. Peak 7036 from nnoeabs.peaks (4.31, 7.54, 116.56 ppm; 3.93 A): 2 out of 6 assignments used, quality = 1.00: * HA TYR 76 + H VAL 77 OK 100 100 100 100 3.5-3.5 3.6=100 HA SER 74 + H VAL 77 OK 74 81 100 91 3.8-4.3 11188/7043=56...(8) HA2 GLY 75 - H VAL 77 poor 20 99 20 - 4.5-4.8 HA ALA 21 - H VAL 77 far 0 78 0 - 8.1-28.8 HA ALA 15 - H VAL 77 far 0 65 0 - 8.7-38.6 HA LEU 69 - H VAL 77 far 0 85 0 - 8.8-9.1 Violated in 0 structures by 0.00 A. Peak 7037 from nnoeabs.peaks (2.76, 7.54, 116.56 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 76 + H VAL 77 OK 100 100 100 100 2.5-3.9 4.5=91, 7028/3.1=73...(16) HB3 ASP 78 - H VAL 77 far 0 81 0 - 5.4-5.7 HB2 CYS 73 - H VAL 77 far 0 97 0 - 5.5-6.0 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 2.6-4.0 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 3.4-3.7 5.0=100 QE TYR 76 + H VAL 77 OK 57 57 100 99 5.5-5.8 4.5/7037=69, ~7030=58...(14) 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 5.5-5.8 4.5/7037=80, 9669/3.0=76...(14) QD TYR 76 + H VAL 77 OK 57 57 100 100 3.4-3.7 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 3 assignments used, quality = 1.00: * HA VAL 77 + H VAL 77 OK 100 100 100 100 2.7-2.8 3.0=100 HA LEU 42 - H VAL 77 far 0 63 0 - 8.5-9.1 HA ILE 129 - H VAL 77 far 0 93 0 - 8.5-9.3 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 1 assignment used, quality = 0.99: * HB VAL 77 + H VAL 77 OK 99 100 100 99 2.1-2.3 2388=73, 2.1/7043=64...(17) 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 2.5-3.0 2394=81, 2.1/7042=62...(20) QG2 VAL 133 - H VAL 77 far 0 83 0 - 5.4-6.0 Violated in 0 structures by 0.00 A. Peak 7044 from nnoeabs.peaks (1.18, 7.54, 116.56 ppm; 3.70 A increased from 3.49 A): 1 out of 4 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=82...(21) QG2 THR 25 - H VAL 77 far 0 99 0 - 8.0-16.6 QB ALA 41 - H VAL 77 far 0 97 0 - 8.6-9.4 HG3 LYS 39 - H VAL 77 far 0 71 0 - 9.4-10.8 Violated in 0 structures by 0.00 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 2.9-2.9 4.5=100 H GLN 82 - H VAL 77 far 0 68 0 - 8.9-11.0 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 4 assignments used, quality = 1.00: H CYS 79 + H ASP 78 OK 100 100 100 100 2.6-2.7 7059=100, 7061/7055=43...(15) * H TYR 76 + H ASP 78 OK 50 100 55 91 4.1-4.3 7033=44, 9611/7052=39...(11) H VAL 20 - H ASP 78 far 0 83 0 - 7.0-29.8 H ALA 16 - H ASP 78 far 0 95 0 - 9.1-36.5 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 10 assignments used, quality = 0.99: * HA TYR 76 + H ASP 78 OK 94 100 100 94 4.2-4.3 3.0/7033=59...(6) HA2 GLY 75 + H ASP 78 OK 73 99 100 74 4.0-4.2 3.5/7033=53...(3) HA SER 74 + H ASP 78 OK 63 81 85 92 4.3-5.2 11188/7052=72...(7) HA ALA 21 - H ASP 78 far 0 78 0 - 5.3-26.6 HA LYS 24 - H ASP 78 far 0 76 0 - 8.4-21.4 HA ARG 23 - H ASP 78 far 0 68 0 - 8.7-21.7 HA ALA 15 - H ASP 78 far 0 65 0 - 8.9-36.6 HA THR 25 - H ASP 78 far 0 81 0 - 9.0-17.3 HA THR 18 - H ASP 78 far 0 83 0 - 9.0-30.6 HA PRO 81 - H ASP 78 far 0 71 0 - 9.5-9.8 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 2.9-2.9 4.5=100 H GLN 82 - H ASP 78 far 0 95 0 - 8.6-11.0 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 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7051 from nnoeabs.peaks (2.33, 7.58, 116.40 ppm; 3.79 A increased from 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 77 + H ASP 78 OK 100 100 100 100 3.4-3.7 2.1/7052=88, 2393=85...(19) Violated in 0 structures by 0.00 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 1.7-1.8 2399=78, 2.1/7051=40...(19) QG2 VAL 133 - H ASP 78 far 0 83 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 7053 from nnoeabs.peaks (1.18, 7.58, 116.40 ppm; 3.96 A increased from 3.73 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 77 + H ASP 78 OK 100 100 100 100 3.8-4.0 2.1/7052=92, 2405=87...(23) QG2 THR 25 - H ASP 78 far 0 99 0 - 7.1-15.5 QG2 THR 18 - H ASP 78 far 0 97 0 - 9.0-27.0 Violated in 2 structures by 0.00 A. Peak 7054 from nnoeabs.peaks (4.38, 7.58, 116.40 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 78 + H ASP 78 OK 100 100 100 100 2.8-2.8 2.9=100 HA CYS 73 - H ASP 78 far 0 100 0 - 6.0-6.8 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 1 assignment used, quality = 0.95: * HB2 ASP 78 + H ASP 78 OK 95 100 100 95 2.2-2.5 2411=65, 1.8/7056=64...(7) 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 = 0.97: * HB3 ASP 78 + H ASP 78 OK 97 100 100 97 2.6-2.9 1.8/7055=74, 2416=72...(6) HB2 TYR 76 - H ASP 78 far 0 81 0 - 5.1-5.9 HB2 CYS 73 - H ASP 78 far 0 97 0 - 7.8-8.4 HB3 ASP 35 - H ASP 78 far 0 96 0 - 9.6-12.7 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 4 assignments used, quality = 1.00: * H CYS 79 + H ASP 78 OK 100 100 100 100 2.6-2.7 7059=100, 7061/7055=43...(15) H TYR 76 + H ASP 78 OK 50 100 55 91 4.1-4.3 7033=44, 9611/7052=39...(11) H VAL 20 - H ASP 78 far 0 83 0 - 7.0-29.8 H ALA 16 - H ASP 78 far 0 95 0 - 9.1-36.5 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 = 0.98: * H ASP 78 + H CYS 79 OK 98 100 100 98 2.6-2.7 7057=52, 7055/7061=36...(15) H GLN 82 - H CYS 79 far 0 68 0 - 6.7-9.2 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 2 assignments used, quality = 1.00: * HA ASP 78 + H CYS 79 OK 100 100 100 100 3.3-3.3 3.6=100 HA CYS 73 - H CYS 79 far 0 100 0 - 6.9-7.7 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 1 assignment used, quality = 1.00: * HB2 ASP 78 + H CYS 79 OK 100 100 100 100 3.4-3.5 4.3=98, 7055/7059=76...(7) Violated in 0 structures by 0.00 A. Peak 7062 from nnoeabs.peaks (2.74, 8.04, 116.97 ppm; 4.59 A increased from 4.32 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASP 78 + H CYS 79 OK 100 100 100 100 4.3-4.4 4.3=100 HB2 TYR 76 + H CYS 79 OK 63 81 85 92 5.1-5.5 3.0/11162=60...(9) HB3 ASP 35 - H CYS 79 far 0 96 0 - 8.7-11.6 HB2 CYS 73 - H CYS 79 far 0 97 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 7063 from nnoeabs.peaks (4.11, 8.04, 116.97 ppm; 3.51 A): 1 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 far 0 85 0 - 4.3-4.5 HA PHE 89 - H CYS 79 far 0 83 0 - 9.8-10.2 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 4 assignments used, quality = 0.99: * HB2 CYS 79 + H CYS 79 OK 99 100 100 99 3.4-3.4 3.9=88, 1.8/7065=74...(9) HB3 LYS 19 - H CYS 79 far 0 65 0 - 7.6-31.4 HB3 ARG 23 - H CYS 79 far 0 90 0 - 7.7-24.3 HB3 LYS 24 - H CYS 79 far 0 71 0 - 9.1-22.3 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 2.4-2.4 3.9=88, 1.8/7064=74...(10) Violated in 0 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 = 0.99: * H ILE 80 + H CYS 79 OK 99 100 100 99 1.8-2.0 7068=92, 9680/7059=30...(12) 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 3 assignments used, quality = 1.00: * H CYS 79 + H ILE 80 OK 100 100 100 100 1.8-2.0 7066=100, 7059/9680=33...(12) H TYR 76 - H ILE 80 far 0 100 0 - 5.9-6.1 H VAL 20 - H ILE 80 far 0 83 0 - 9.5-31.9 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 3.3-3.4 3.6=100 HA ILE 80 + H ILE 80 OK 85 85 100 100 2.7-2.7 3.0=100 HA PHE 89 - H ILE 80 far 0 83 0 - 8.9-9.3 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 5 assignments used, quality = 1.00: * HB2 CYS 79 + H ILE 80 OK 100 100 100 100 3.5-3.7 4.4=100 HB3 LYS 19 - H ILE 80 far 0 65 0 - 7.4-33.0 HB3 ARG 23 - H ILE 80 far 0 90 0 - 8.9-26.1 HB3 ARG 135 - H ILE 80 far 0 81 0 - 9.6-11.5 HB3 LYS 24 - H ILE 80 far 0 71 0 - 9.8-24.2 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 3.4-3.6 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 2.7-2.7 3.0=100 HA CYS 79 + H ILE 80 OK 85 85 100 100 3.3-3.4 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 = 0.98: * HB ILE 80 + H ILE 80 OK 98 100 100 98 2.2-2.3 3.9=60, 3.2/7077=42...(18) HB2 LYS 19 - H ILE 80 far 0 95 0 - 6.9-34.4 HB2 LYS 39 - H ILE 80 far 0 73 0 - 7.8-10.4 HG3 ARG 90 - H ILE 80 far 0 100 0 - 8.4-8.9 HD3 LYS 39 - H ILE 80 far 0 73 0 - 8.9-11.8 HB2 ARG 23 - H ILE 80 far 0 87 0 - 9.4-26.2 Violated in 0 structures by 0.00 A. Peak 7074 from nnoeabs.peaks (0.81, 6.96, 123.17 ppm; 3.68 A): 2 out of 5 assignments used, quality = 1.00: * QG2 ILE 80 + H ILE 80 OK 100 100 100 100 3.4-3.6 4.0=79, 2.1/7073=77...(19) HG13 ILE 80 + H ILE 80 OK 97 97 100 99 3.0-3.6 2.1/7077=67, 3.0/7073=63...(16) QG1 VAL 133 - H ILE 80 far 0 76 0 - 6.0-7.5 QG2 ILE 129 - H ILE 80 far 0 99 0 - 7.6-8.0 QD2 LEU 22 - H ILE 80 far 0 63 0 - 8.4-22.4 Violated in 0 structures by 0.00 A. Peak 7075 from nnoeabs.peaks (1.21, 6.96, 123.17 ppm; 3.58 A): 0 out of 2 assignments used, quality = 0.00: ! HG12 ILE 80 - H ILE 80 far 0 100 0 - 4.2-4.5 QG2 THR 83 - H ILE 80 far 0 60 0 - 7.1-8.0 Violated in 20 structures by 0.74 A. Peak 7076 from nnoeabs.peaks (0.82, 6.96, 123.17 ppm; 3.86 A): 2 out of 5 assignments used, quality = 1.00: * HG13 ILE 80 + H ILE 80 OK 100 100 100 100 3.0-3.6 2.1/7077=73, 3.0/7073=68...(16) QG2 ILE 80 + H ILE 80 OK 97 97 100 100 3.4-3.6 4.0=91, 2.1/7073=82...(19) QG1 VAL 133 - H ILE 80 far 0 95 0 - 6.0-7.5 QG2 ILE 129 - H ILE 80 far 0 100 0 - 7.6-8.0 QD2 LEU 22 - H ILE 80 far 0 87 0 - 8.4-22.4 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 3.3-3.6 2471=80, 3.2/7073=60...(20) QG2 VAL 93 - H ILE 80 far 0 83 0 - 8.0-8.3 Violated in 0 structures by 0.00 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 2.7-4.1 3.5=100 HG3 GLN 82 + HE21 GLN 82 OK 98 98 100 100 2.3-4.1 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 2.3-4.1 3.5=100 HG2 GLN 82 + HE21 GLN 82 OK 98 98 100 100 2.7-4.1 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 2.8-4.1 3.5=100 HG3 GLN 82 + HE22 GLN 82 OK 98 98 100 100 2.5-4.1 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 2.5-4.1 3.5=100 HG2 GLN 82 + HE22 GLN 82 OK 98 98 100 100 2.8-4.1 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 2 assignments used, quality = 1.00: * HE21 GLN 82 + HE22 GLN 82 OK 100 100 100 100 1.7-1.7 1.7=100 H ILE 80 - HE22 GLN 82 far 0 85 0 - 8.3-11.0 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 - 9.2-10.1 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 2.4-2.6 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 3.4-3.7 2520=100, 2.1/7088=80...(12) HG12 ILE 80 - H ARG 84 far 0 58 0 - 7.0-8.1 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 2.7-2.8 2.8=100 HA PHE 87 - H ARG 84 far 0 87 0 - 7.8-8.2 Violated in 0 structures by 0.00 A. Peak 7091 from nnoeabs.peaks (1.81, 9.00, 120.08 ppm; 3.37 A): 1 out of 3 assignments used, quality = 0.97: * HB2 ARG 84 + H ARG 84 OK 97 99 100 98 2.1-2.8 2533=67, 1.8/2542=62...(15) HB2 LYS 86 - H ARG 84 far 0 92 0 - 5.4-6.7 HB3 ARG 135 - H ARG 84 far 0 97 0 - 7.0-8.8 Violated in 0 structures by 0.00 A. Peak 7092 from nnoeabs.peaks (1.90, 9.00, 120.08 ppm; 3.71 A increased from 3.29 A): 1 out of 3 assignments used, quality = 0.99: * HB3 ARG 84 + H ARG 84 OK 99 99 100 100 3.0-3.6 2542=100, 1.8/7091=82...(11) HB2 ARG 135 - H ARG 84 far 0 99 0 - 7.2-9.2 HB2 MET 11 - H ARG 84 far 0 83 0 - 8.6-50.0 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 1.9-4.0 3.0/7091=71, 4.6=68...(21) HG3 ARG 84 + H ARG 84 OK 99 99 100 100 2.0-4.4 3.0/7091=71, 4.6=68...(21) QB ALA 88 - H ARG 84 far 0 72 0 - 6.2-7.3 HD3 LYS 86 - H ARG 84 far 0 76 0 - 6.3-7.4 HD2 LYS 86 - H ARG 84 far 0 76 0 - 7.5-8.8 Violated in 0 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 1.9-4.0 3.0/7091=71, 4.6=68...(21) * HG3 ARG 84 + H ARG 84 OK 99 99 100 100 2.0-4.4 3.0/7091=71, 4.6=68...(21) QB ALA 88 - H ARG 84 far 0 72 0 - 6.2-7.3 HD3 LYS 86 - H ARG 84 far 0 76 0 - 6.3-7.4 HD2 LYS 86 - H ARG 84 far 0 76 0 - 7.5-8.8 Violated in 0 structures by 0.00 A. Peak 7095 from nnoeabs.peaks (3.20, 9.00, 120.08 ppm; 5.30 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 84 + H ARG 84 OK 99 99 100 100 2.3-5.4 4.0/7091=84, 5.7=81...(21) HD3 ARG 84 + H ARG 84 OK 99 99 100 100 2.4-5.5 4.0/7091=84, 5.7=81...(21) 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 2 assignments used, quality = 1.00: HD2 ARG 84 + H ARG 84 OK 99 99 100 100 2.3-5.4 4.0/7091=84, 5.7=81...(21) * HD3 ARG 84 + H ARG 84 OK 99 99 100 100 2.4-5.5 4.0/7091=84, 5.7=81...(21) 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 2.8-2.9 3.7=100 HE ARG 84 + H ARG 84 OK 56 89 65 97 4.1-6.2 5.1/7091=37, 5.1/2542=35...(15) HD21 ASN 85 - H ARG 84 far 8 76 10 - 4.4-6.9 QE PHE 87 - H ARG 84 far 0 99 0 - 4.6-8.4 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 2 assignments used, quality = 0.99: * H LYS 86 + H ARG 84 OK 99 99 100 100 3.9-4.4 7132/3.7=84, 7129/3.6=71...(8) H GLY 14 - H ARG 84 far 3 66 5 - 4.5-45.8 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 3.8-4.2 9771=99, 7129/7132=92...(8) HA VAL 133 + H ASN 85 OK 55 81 95 72 6.7-7.5 11929/5.3=41...(3) 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 2.8-2.9 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 3.5-3.5 3.6=100 HA PHE 87 - H ASN 85 far 0 89 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 7103 from nnoeabs.peaks (1.81, 7.27, 117.40 ppm; 4.76 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 84 + H ASN 85 OK 100 100 100 100 2.6-4.0 4.7=100 HB2 LYS 86 - H ASN 85 poor 19 93 20 - 4.5-5.8 HB3 ARG 135 - H ASN 85 far 10 98 10 - 5.3-6.8 Violated in 0 structures by 0.00 A. Peak 7104 from nnoeabs.peaks (1.90, 7.27, 117.40 ppm; 5.04 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 84 + H ASN 85 OK 100 100 100 100 3.7-4.2 4.7=100 HB2 ARG 135 - H ASN 85 far 10 100 10 - 5.0-7.4 HB2 MET 11 - H ASN 85 far 0 85 0 - 9.0-48.2 HB2 ARG 90 - H ASN 85 far 0 98 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 7105 from nnoeabs.peaks (1.64, 7.27, 117.40 ppm; 5.86 A): 3 out of 5 assignments used, quality = 1.00: * HG2 ARG 84 + H ASN 85 OK 98 100 100 98 2.0-4.7 7093/3.7=45, ~11320=40...(17) HG3 ARG 84 + H ASN 85 OK 98 100 100 98 3.8-5.1 7094/3.7=45, ~11320=40...(18) QB ALA 88 + H ASN 85 OK 73 73 100 100 4.6-5.5 9788/3.6=70, 2595/2.9=67...(13) HD3 LYS 86 - H ASN 85 far 0 78 0 - 6.5-7.0 HD2 LYS 86 - H ASN 85 far 0 78 0 - 7.2-8.2 Violated in 0 structures by 0.00 A. Peak 7106 from nnoeabs.peaks (1.64, 7.27, 117.40 ppm; 5.86 A): 3 out of 5 assignments used, quality = 1.00: HG2 ARG 84 + H ASN 85 OK 98 100 100 98 2.0-4.7 7093/3.7=45, ~11320=40...(17) * HG3 ARG 84 + H ASN 85 OK 98 100 100 98 3.8-5.1 7094/3.7=45, ~11320=40...(18) QB ALA 88 + H ASN 85 OK 73 73 100 100 4.6-5.5 9788/3.6=70, 2595/2.9=67...(13) HD3 LYS 86 - H ASN 85 far 0 78 0 - 6.5-7.0 HD2 LYS 86 - H ASN 85 far 0 78 0 - 7.2-8.2 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 3 assignments used, quality = 1.00: HD3 ARG 84 + H ASN 85 OK 98 100 100 98 2.9-6.3 2579/3.6=50, 2581/4.7=47...(9) * HD2 ARG 84 + H ASN 85 OK 98 100 100 98 3.4-6.6 2578/3.7=48, 2579/3.6=47...(9) HD2 ARG 90 - H ASN 85 far 0 68 0 - 9.9-10.5 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 3 assignments used, quality = 1.00: * HD3 ARG 84 + H ASN 85 OK 98 100 100 98 2.9-6.3 2579/3.6=50, 2581/4.7=47...(9) HD2 ARG 84 + H ASN 85 OK 98 100 100 98 3.4-6.6 2578/3.7=48, 2579/3.6=47...(9) HD2 ARG 90 - H ASN 85 far 0 68 0 - 9.9-10.5 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 2.9-2.9 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 2.3-3.6 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 2 assignments used, quality = 1.00: * HB3 ASN 85 + H ASN 85 OK 100 100 100 100 2.5-3.6 3.6=100 HB2 ASN 13 - H ASN 85 far 0 99 0 - 6.7-45.5 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 1.8-4.4 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 2 assignments used, quality = 1.00: * H LYS 86 + H ASN 85 OK 100 100 100 100 2.3-2.5 3.9=100 H GLY 14 - H ASN 85 far 0 68 0 - 6.3-45.6 Violated in 0 structures by 0.00 A. Peak 7115 from nnoeabs.peaks (8.12, 7.27, 117.40 ppm; 6.37 A): 1 out of 4 assignments used, quality = 1.00: * H PHE 87 + H ASN 85 OK 100 100 100 100 4.1-4.6 7154/7132=97...(13) H VAL 133 - H ASN 85 far 0 60 0 - 8.1-8.7 H ALA 15 - H ASN 85 far 0 68 0 - 9.0-43.7 H GLU 91 - H ASN 85 far 0 98 0 - 9.1-9.6 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 3.6-4.8 4.5=100 Violated in 0 structures by 0.00 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 2.5-4.0 3.5=100 Violated in 0 structures by 0.00 A. Peak 7120 from nnoeabs.peaks (2.82, 7.25, 114.49 ppm; 4.21 A increased from 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 85 + HD21 ASN 85 OK 100 100 100 100 2.6-4.1 3.5=100 HB2 ASN 13 - HD21 ASN 85 far 0 99 0 - 6.8-47.7 Violated in 0 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 2.1-4.7 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 2.3-3.6 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 2 assignments used, quality = 1.00: * HB3 ASN 85 + HD22 ASN 85 OK 100 100 100 100 2.2-3.6 3.5=100 HB2 ASN 13 - HD22 ASN 85 far 0 99 0 - 7.2-46.0 Violated in 0 structures by 0.00 A. Peak 7127 from nnoeabs.peaks (7.25, 8.08, 114.49 ppm; 2.86 A): 1 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 poor 13 78 35 46 1.8-4.4 5.3=16, 3.9/7137=9...(8) QE PHE 87 - HD22 ASN 85 far 0 73 0 - 4.8-12.5 HE ARG 84 - HD22 ASN 85 far 0 99 0 - 5.9-10.2 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 3 assignments used, quality = 1.00: * HA THR 83 + H LYS 86 OK 100 100 100 100 3.0-3.2 2510=75, 2517/11241=67...(16) HA VAL 133 - H LYS 86 far 0 81 0 - 6.8-7.5 HA THR 83 - H LYS 19 far 0 73 0 - 9.5-37.7 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 3.9-4.4 7098=100, 3.7/7132=96...(8) 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 6 assignments used, quality = 1.00: * HA ARG 84 + H LYS 86 OK 100 100 100 100 4.1-4.5 3.6/7132=100...(11) HA PHE 87 + H LYS 86 OK 89 89 100 100 5.3-5.5 2.9/7154=100...(9) HA LYS 19 + H LYS 19 OK 55 55 100 100 2.7-2.8 3.0=100 HA ALA 16 - H LYS 19 poor 16 38 95 45 4.8-7.4 4.9/10699=27...(3) HA LEU 22 - H LYS 19 poor 16 53 30 - 6.9-9.3 HA LYS 31 - H LYS 19 far 0 37 0 - 8.6-26.7 Violated in 0 structures by 0.00 A. Peak 7132 from nnoeabs.peaks (7.27, 8.34, 124.24 ppm; 3.76 A): 1 out of 6 assignments used, quality = 0.97: * H ASN 85 + H LYS 86 OK 97 100 100 97 2.3-2.5 3.9=86, 3.7/7098=29...(12) HD21 ASN 85 - H LYS 86 far 0 78 0 - 5.2-6.4 QE PHE 87 - H LYS 86 far 0 100 0 - 5.5-8.0 HE ARG 84 - H LYS 86 far 0 90 0 - 6.1-8.4 HD2 HIS 10 - H LYS 19 far 0 72 0 - 8.7-28.2 QE PHE 87 - H LYS 19 far 0 73 0 - 9.5-35.7 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 1 assignment used, quality = 1.00: * HB2 ASN 85 + H LYS 86 OK 100 100 100 100 2.8-4.2 4.4=100 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 2.6-3.7 4.4=100 HB2 ASN 13 - H LYS 19 far 0 70 0 - 7.1-16.5 HB2 ASN 13 - H LYS 86 far 0 99 0 - 8.8-43.1 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 3 assignments used, quality = 0.81: * HD22 ASN 85 + H LYS 86 OK 57 100 85 67 4.0-6.0 5.3/7132=48...(3) H VAL 20 + H LYS 19 OK 55 55 100 100 2.7-3.4 4.6=100 H THR 25 - H LYS 19 far 0 52 0 - 7.3-14.7 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 2 assignments used, quality = 1.00: * HA LYS 86 + H LYS 86 OK 100 100 100 100 2.7-2.8 2.9=100 HB2 SER 94 - H LYS 19 far 0 61 0 - 9.6-39.2 Violated in 0 structures by 0.00 A. Peak 7139 from nnoeabs.peaks (1.79, 8.34, 124.24 ppm; 3.92 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 86 + H LYS 86 OK 100 100 100 100 2.3-3.5 4.0=96, 1.8/7140=77...(16) HB3 LYS 19 + H LYS 19 OK 58 58 100 100 3.5-3.6 3.9=99, 1.8/6149=49...(34) HB2 ARG 84 - H LYS 86 far 0 93 0 - 4.8-5.9 HB3 ARG 135 - H LYS 86 far 0 76 0 - 6.8-8.3 HB3 ARG 23 - H LYS 19 far 0 38 0 - 7.5-11.0 HB3 LYS 31 - H LYS 19 far 0 58 0 - 7.8-25.7 HB3 LYS 24 - H LYS 19 far 0 55 0 - 8.3-15.4 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 5 assignments used, quality = 1.00: * HB3 LYS 86 + H LYS 86 OK 100 100 100 100 2.1-2.7 4.0=90, 3.0/7142=50...(16) HB3 PRO 81 - H LYS 86 far 0 97 0 - 7.3-8.9 HB2 GLN 27 - H LYS 19 far 0 68 0 - 8.4-21.3 HB3 ARG 90 - H LYS 19 far 0 72 0 - 8.5-37.7 HB3 ARG 90 - H LYS 86 far 0 100 0 - 8.7-9.2 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 8 assignments used, quality = 1.00: * HG2 LYS 86 + H LYS 86 OK 100 100 100 100 3.7-4.5 4.5=100 HG3 LYS 19 + H LYS 19 OK 48 48 100 100 3.4-3.7 4.9=100 QB ALA 16 - H LYS 19 poor 8 60 35 37 4.2-7.5 4.7/10699=18...(4) HG3 LYS 24 - H LYS 19 far 0 44 0 - 7.1-14.6 HG2 LYS 31 - H LYS 19 far 0 52 0 - 7.6-25.0 QB ALA 92 - H LYS 86 far 0 98 0 - 8.6-9.3 QB ALA 34 - H LYS 19 far 0 73 0 - 9.3-22.6 HG3 LYS 19 - H LYS 86 far 0 76 0 - 9.6-39.5 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 3 assignments used, quality = 1.00: * HG3 LYS 86 + H LYS 86 OK 100 100 100 100 2.9-4.6 4.5=90, 3.0/7140=70...(13) HG3 LYS 24 - H LYS 19 far 0 37 0 - 7.1-14.6 HG3 LYS 86 - H LYS 19 far 0 73 0 - 9.5-35.9 Violated in 3 structures by 0.04 A. Peak 7143 from nnoeabs.peaks (1.66, 8.34, 124.24 ppm; 4.86 A): 5 out of 14 assignments used, quality = 1.00: HD3 LYS 86 + H LYS 86 OK 100 100 100 100 4.5-5.0 3.0/7142=76, 3.5/7140=75...(21) QB ALA 88 + H LYS 86 OK 100 100 100 100 4.7-5.4 2750/3.6=84...(12) HD2 LYS 19 + H LYS 19 OK 68 68 100 100 1.9-2.2 10696/4.3=60, 6.2=48...(75) HD3 LYS 19 + H LYS 19 OK 68 68 100 100 2.8-3.5 6.2=48, 3.0/6151=44...(73) * HD2 LYS 86 + H LYS 86 OK 30 100 30 100 5.2-5.9 3.0/7142=76, 3.5/7140=75...(18) HG2 ARG 84 - H LYS 86 far 12 78 15 - 4.5-6.3 HD3 LYS 31 - H LYS 19 far 4 73 5 - 5.2-25.6 HG3 ARG 84 - H LYS 86 far 0 78 0 - 5.8-7.2 HD2 LYS 31 - H LYS 19 far 0 73 0 - 6.4-25.6 HD3 LYS 24 - H LYS 19 far 0 73 0 - 8.5-14.5 HD2 LYS 86 - H LYS 19 far 0 73 0 - 8.5-33.7 HD3 LYS 86 - H LYS 19 far 0 73 0 - 8.6-34.6 HD2 LYS 24 - H LYS 19 far 0 73 0 - 9.1-14.2 HD3 LYS 19 - H LYS 86 far 0 97 0 - 9.4-41.0 Violated in 0 structures by 0.00 A. Peak 7144 from nnoeabs.peaks (1.66, 8.34, 124.24 ppm; 4.86 A): 5 out of 14 assignments used, quality = 1.00: * HD3 LYS 86 + H LYS 86 OK 100 100 100 100 4.5-5.0 3.0/7142=76, 3.5/7140=75...(21) QB ALA 88 + H LYS 86 OK 100 100 100 100 4.7-5.4 2750/3.6=84...(12) HD2 LYS 19 + H LYS 19 OK 68 68 100 100 1.9-2.2 10696/4.3=60, 6.2=48...(75) HD3 LYS 19 + H LYS 19 OK 68 68 100 100 2.8-3.5 6.2=48, 3.0/6151=44...(73) HD2 LYS 86 + H LYS 86 OK 30 100 30 100 5.2-5.9 3.0/7142=76, 3.5/7140=75...(18) HG2 ARG 84 - H LYS 86 far 12 78 15 - 4.5-6.3 HD3 LYS 31 - H LYS 19 far 4 73 5 - 5.2-25.6 HG3 ARG 84 - H LYS 86 far 0 78 0 - 5.8-7.2 HD2 LYS 31 - H LYS 19 far 0 73 0 - 6.4-25.6 HD3 LYS 24 - H LYS 19 far 0 73 0 - 8.5-14.5 HD2 LYS 86 - H LYS 19 far 0 73 0 - 8.5-33.7 HD3 LYS 86 - H LYS 19 far 0 73 0 - 8.6-34.6 HD2 LYS 24 - H LYS 19 far 0 73 0 - 9.1-14.2 HD3 LYS 19 - H LYS 86 far 0 97 0 - 9.4-41.0 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 2.8-3.0 7154=100, 7157/7140=55...(19) H THR 25 - H LYS 19 far 0 64 0 - 7.3-14.7 H GLU 91 - H LYS 86 far 0 98 0 - 7.7-8.1 H VAL 133 - H LYS 86 far 0 60 0 - 8.2-8.8 H ALA 15 - H LYS 19 far 0 42 0 - 8.3-12.5 H ALA 15 - H LYS 86 far 0 68 0 - 10.0-41.5 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 4.0-4.8 7175=100, 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 4.3-4.6 2636/7157=70...(14) HA VAL 133 - H PHE 87 far 0 81 0 - 9.0-9.6 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 3 assignments used, quality = 1.00: * HA ARG 84 + H PHE 87 OK 98 100 100 98 3.9-4.2 2530=71, 9782/11240=31...(15) HA PHE 87 + H PHE 87 OK 89 89 100 100 2.8-2.8 2.9=100 HA ALA 16 - H PHE 87 far 0 63 0 - 8.7-43.5 Violated in 0 structures by 0.00 A. Peak 7152 from nnoeabs.peaks (7.27, 8.12, 118.33 ppm; 5.31 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 85 + H PHE 87 OK 100 100 100 100 4.1-4.6 7132/7154=83...(13) QE PHE 87 + H PHE 87 OK 96 100 100 96 4.6-5.7 2719/2.9=65, 6.3=61...(7) HE ARG 84 - H PHE 87 far 0 90 0 - 5.9-8.7 HD21 ASN 85 - H PHE 87 far 0 78 0 - 7.0-8.7 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 4.1-4.8 3.6/7154=92...(8) 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 3 assignments used, quality = 1.00: * H LYS 86 + H PHE 87 OK 100 100 100 100 2.8-3.0 7147=72, 7140/7157=44...(19) H GLY 17 - H PHE 87 far 0 83 0 - 8.3-41.7 H GLY 14 - H PHE 87 far 0 68 0 - 9.1-43.0 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 1 assignment used, quality = 1.00: * HA LYS 86 + H PHE 87 OK 100 100 100 100 3.5-3.6 3.6=100 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 2.4-3.7 1.8/7157=75, 4.6=59...(17) HB2 ARG 84 - H PHE 87 far 0 93 0 - 5.7-6.3 HB3 ARG 135 - H PHE 87 far 0 76 0 - 8.9-10.6 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 2 assignments used, quality = 1.00: * HB3 LYS 86 + H PHE 87 OK 100 100 100 100 2.1-3.2 1.8/7156=74, 2647=62...(21) HB3 ARG 90 - H PHE 87 far 0 100 0 - 7.0-7.6 Violated in 0 structures by 0.00 A. Peak 7158 from nnoeabs.peaks (1.42, 8.12, 118.33 ppm; 5.79 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 86 + H PHE 87 OK 100 100 100 100 4.3-5.0 3.0/7157=97, 3.0/7156=97...(20) QB ALA 92 - H PHE 87 far 0 98 0 - 7.9-8.5 QB ALA 16 - H PHE 87 far 0 90 0 - 9.2-37.9 HG3 LYS 19 - H PHE 87 far 0 76 0 - 9.5-40.2 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 3.5-5.1 2669=100, 3.0/7156=100...(18) Violated in 0 structures by 0.00 A. Peak 7160 from nnoeabs.peaks (1.66, 8.12, 118.33 ppm; 4.67 A increased from 4.40 A): 2 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=86, 9851=50...(16) HD3 LYS 86 + H PHE 87 OK 60 100 60 100 4.6-5.5 3.5/7157=71, 3.5/7156=71...(30) HG2 ARG 84 - H PHE 87 far 0 78 0 - 5.7-7.0 ! HD2 LYS 86 - H PHE 87 far 0 100 0 - 5.8-6.5 HG3 ARG 84 - H PHE 87 far 0 78 0 - 6.8-7.8 Violated in 0 structures by 0.00 A. Peak 7161 from nnoeabs.peaks (1.66, 8.12, 118.33 ppm; 4.67 A increased from 4.40 A): 2 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=86, 9851=50...(16) * HD3 LYS 86 + H PHE 87 OK 60 100 60 100 4.6-5.5 3.5/7157=71, 3.5/7156=71...(30) HG2 ARG 84 - H PHE 87 far 0 78 0 - 5.7-7.0 HD2 LYS 86 - H PHE 87 far 0 100 0 - 5.8-6.5 HG3 ARG 84 - H PHE 87 far 0 78 0 - 6.8-7.8 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 7 assignments used, quality = 1.00: * HA PHE 87 + H PHE 87 OK 100 100 100 100 2.8-2.8 2.9=100 HA ARG 84 + H PHE 87 OK 83 89 100 93 3.9-4.2 2530=51, 4.9/7150=25...(13) HA ALA 12 - H PHE 87 far 0 83 0 - 8.5-42.1 HA ALA 16 - H PHE 87 far 0 97 0 - 8.7-43.5 HA THR 18 - H PHE 87 far 0 65 0 - 9.2-38.0 HA ALA 21 - H PHE 87 far 0 71 0 - 9.5-34.3 HA ALA 15 - H PHE 87 far 0 83 0 - 9.8-44.4 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 = 1.00: * HB2 PHE 87 + H PHE 87 OK 96 100 100 96 2.1-2.3 4.0=63, 4.5/7170=32...(12) HB3 PHE 87 + H PHE 87 OK 89 100 100 90 3.1-3.6 4.0=63, 4.5/7170=32...(9) HD3 ARG 135 - H PHE 87 far 0 100 0 - 7.5-9.9 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 = 1.00: HB2 PHE 87 + H PHE 87 OK 95 100 100 96 2.1-2.3 4.0=63, 4.5/7170=32...(12) * HB3 PHE 87 + H PHE 87 OK 90 100 100 90 3.1-3.6 4.0=63, 4.5/7170=32...(9) HD3 ARG 135 - H PHE 87 far 0 100 0 - 7.5-9.9 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 1 assignment used, quality = 1.00: * QD PHE 87 + H PHE 87 OK 100 100 100 100 2.7-3.6 4.2=100 Violated in 0 structures by 0.00 A. Peak 7168 from nnoeabs.peaks (7.27, 8.12, 118.33 ppm; 5.34 A): 2 out of 4 assignments used, quality = 1.00: H ASN 85 + H PHE 87 OK 100 100 100 100 4.1-4.6 7132/7154=84...(13) * QE PHE 87 + H PHE 87 OK 96 100 100 96 4.6-5.7 2719/2.9=66, 6.3=62...(7) HE ARG 84 - H PHE 87 far 0 87 0 - 5.9-8.7 HD21 ASN 85 - H PHE 87 far 0 73 0 - 7.0-8.7 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 = 0.99: * H ALA 88 + H PHE 87 OK 99 100 100 99 2.6-3.0 7177=88, 7181/4.2=27...(18) 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 3.7-4.0 7186/7170=86...(11) 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 2 assignments used, quality = 0.91: HA PHE 87 + H ALA 88 OK 89 89 100 100 3.5-3.6 3.6=100 * HA ARG 84 + H ALA 88 OK 23 100 25 92 4.4-5.2 2530/7170=53...(10) 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 3.4-3.7 2750/7185=74...(19) Violated in 0 structures by 0.00 A. Peak 7175 from nnoeabs.peaks (8.34, 7.86, 121.70 ppm; 5.24 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 86 + H ALA 88 OK 100 100 100 100 4.0-4.8 7154/7170=85...(16) H TYR 72 - H GLN 68 far 0 64 0 - 6.2-6.6 H GLY 14 - H GLN 68 far 0 48 0 - 9.3-39.7 Violated in 0 structures by 0.00 A. Peak 7177 from nnoeabs.peaks (8.12, 7.86, 121.70 ppm; 3.65 A): 1 out of 6 assignments used, quality = 1.00: * H PHE 87 + H ALA 88 OK 100 100 100 100 2.6-3.0 7170=100, 4.2/7181=29...(18) H GLU 91 - H ALA 88 far 0 98 0 - 4.7-4.9 H ASP 71 - H GLN 68 far 0 58 0 - 4.9-5.3 H ALA 15 - H ALA 88 far 0 68 0 - 8.5-43.5 H VAL 133 - H ALA 88 far 0 60 0 - 8.6-9.2 H ALA 15 - H GLN 68 far 0 48 0 - 9.4-39.2 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 4 assignments used, quality = 1.00: * HA PHE 87 + H ALA 88 OK 100 100 100 100 3.5-3.6 3.6=100 HA ARG 84 + H ALA 88 OK 88 89 100 99 4.4-5.2 4.9/7174=76...(10) HA ALA 12 - H ALA 88 far 4 83 5 - 6.4-41.8 HA GLN 61 - H GLN 68 far 0 67 0 - 9.0-9.5 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 4 assignments used, quality = 1.00: * HB2 PHE 87 + H ALA 88 OK 99 100 100 99 2.9-3.7 4.5=56, 4.0/7170=47...(26) HB3 PHE 87 + H ALA 88 OK 99 100 100 99 2.3-4.0 4.5=56, 4.0/7170=47...(26) HD3 ARG 135 - H ALA 88 far 0 100 0 - 6.0-8.3 HB3 HIS 10 - H ALA 88 far 0 71 0 - 8.3-46.8 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 4 assignments used, quality = 1.00: * HB3 PHE 87 + H ALA 88 OK 99 100 100 99 2.3-4.0 4.5=56, 4.0/7170=47...(26) HB2 PHE 87 + H ALA 88 OK 99 100 100 99 2.9-3.7 4.5=56, 4.0/7170=47...(26) HD3 ARG 135 - H ALA 88 far 0 100 0 - 6.0-8.3 HB3 HIS 10 - H ALA 88 far 0 81 0 - 8.3-46.8 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 3.0-4.3 4.2/7170=69, 9836/3.0=57...(19) H ARG 135 - H ALA 88 far 0 100 0 - 9.4-10.3 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 4.8-5.5 2.9/7174=93...(14) * QE PHE 87 + H ALA 88 OK 25 100 25 100 3.7-6.3 2.2/7181=89, 2719/3.6=62...(13) HE ARG 84 - H ALA 88 far 4 87 5 - 5.3-9.7 HD21 ASN 85 - H ALA 88 far 0 73 0 - 6.7-8.4 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 2 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 3.6-3.6 3.6=100 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 7 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...(14) HG2 ARG 84 - H ALA 88 far 0 73 0 - 5.6-8.0 HB2 LEU 69 - H GLN 68 far 0 77 0 - 5.9-6.1 HG3 ARG 84 - H ALA 88 far 0 73 0 - 7.0-8.2 HD3 LYS 86 - H ALA 88 far 0 100 0 - 7.5-8.2 HD2 LYS 86 - H ALA 88 far 0 100 0 - 8.1-9.0 HD2 LYS 95 - H ALA 88 far 0 99 0 - 10.0-12.4 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 2.4-2.7 7193=95, 7195/7185=61...(12) H HIS 10 - H ALA 88 far 0 71 0 - 8.5-49.6 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 4.3-4.6 7209/7186=88...(8) H ALA 46 - H GLN 68 far 0 42 0 - 8.9-9.3 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; 4.18 A increased from 3.94 A): 1 out of 1 assignment used, quality = 0.96: * HA ASN 85 + H PHE 89 OK 96 100 100 96 3.6-4.1 2750/7195=69...(7) Violated in 0 structures by 0.00 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 3.3-3.7 2621=84, 9727/9869=62...(15) HB2 SER 94 - H PHE 89 far 0 92 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 7191 from nnoeabs.peaks (8.12, 8.69, 120.07 ppm; 5.97 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 87 + H PHE 89 OK 100 100 100 100 3.7-4.0 7171=100, 7170/7186=96...(11) H GLU 91 + H PHE 89 OK 98 98 100 100 3.7-4.3 7228=97, 4.0/7209=91...(11) H VAL 133 - H PHE 89 far 0 60 0 - 7.0-7.6 H ALA 15 - H PHE 89 far 0 68 0 - 9.6-42.4 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 1 assignment used, quality = 1.00: * H ALA 88 + H PHE 89 OK 100 100 100 100 2.4-2.7 7186=100, 7185/7195=63...(12) 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 2 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 - 9.2-9.8 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 2.6-3.1 3.7=86, 7185/7186=53...(15) HG2 ARG 84 - H PHE 89 far 0 73 0 - 6.8-9.4 HD3 LYS 86 - H PHE 89 far 0 100 0 - 7.2-7.9 HD2 LYS 86 - H PHE 89 far 0 100 0 - 7.4-8.1 HG3 ARG 84 - H PHE 89 far 0 73 0 - 8.4-9.9 HD2 LYS 95 - H PHE 89 far 0 99 0 - 9.1-11.7 HD3 LYS 95 - H PHE 89 far 0 100 0 - 9.2-11.0 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 2.7-2.9 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 2.2-2.8 3.5=100 HB3 PHE 89 + H PHE 89 OK 85 85 100 100 2.4-2.9 3.5=100 HB3 CYS 73 - H PHE 89 far 0 99 0 - 8.0-8.7 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 2.4-2.9 3.5=100 HB2 PHE 89 + H PHE 89 OK 85 85 100 100 2.2-2.8 3.5=100 HB3 CYS 73 - H PHE 89 far 0 96 0 - 8.0-8.7 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 4.0-4.2 4.2=100 HE ARG 135 - H PHE 89 far 0 93 0 - 6.1-9.9 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 2.4-2.9 7209=100, 7213/4.2=39...(17) Violated in 0 structures by 0.00 A. Peak 7203 from nnoeabs.peaks (8.13, 8.69, 120.07 ppm; 5.35 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 91 + H PHE 89 OK 100 100 100 100 3.7-4.3 7228=97, 7223/7209=85...(11) H PHE 87 + H PHE 89 OK 98 98 100 100 3.7-4.0 7171=97, 7170/7186=85...(11) H VAL 133 - H PHE 89 far 0 83 0 - 7.0-7.6 H ALA 15 - H PHE 89 far 0 89 0 - 9.6-42.4 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 3.7-4.3 11193/11754=66...(14) HB2 SER 94 - H ARG 90 far 0 92 0 - 6.0-7.1 HA LEU 70 - H ARG 90 far 0 99 0 - 10.0-10.5 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 5 assignments used, quality = 0.99: * HA PHE 87 + H ARG 90 OK 99 100 100 99 3.6-4.0 2722=69, 2723/3.8=55...(11) HA SER 74 - H ARG 90 far 0 68 0 - 7.0-7.8 HA ALA 12 - H ARG 90 far 0 83 0 - 7.6-37.6 HA ARG 84 - H ARG 90 far 0 89 0 - 8.4-8.7 HA ALA 15 - H ARG 90 far 0 83 0 - 10.0-43.1 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 4.3-4.6 7187=100, 7186/7209=98...(8) 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 4.3-4.7 3.6/7209=100...(10) HA SER 94 - H ARG 90 far 0 60 0 - 7.7-8.4 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 2 assignments used, quality = 0.99: * H PHE 89 + H ARG 90 OK 99 100 100 99 2.4-2.9 7202=84, 4.2/7213=35...(17) H HIS 10 - H ARG 90 far 0 71 0 - 9.3-45.3 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 - 8.4-10.6 HB3 SER 74 - H ARG 90 far 0 89 0 - 8.8-10.6 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 3.5-3.9 4.4=95, 2.7/7213=67...(14) HB3 PHE 89 + H ARG 90 OK 85 85 100 100 2.4-2.6 4.4=95, 2.7/7213=67...(13) HB3 CYS 73 - H ARG 90 far 0 99 0 - 6.4-7.2 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 2.4-2.6 4.4=95, 2.7/7213=67...(13) HB2 PHE 89 + H ARG 90 OK 85 85 100 100 3.5-3.9 4.4=95, 2.7/7213=67...(14) HB3 CYS 73 - H ARG 90 far 0 96 0 - 6.4-7.2 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 2.7-4.0 5.0=67, 4.2/7209=56...(16) HE ARG 135 - H ARG 90 far 0 93 0 - 8.6-12.4 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 4 assignments used, quality = 1.00: * HA ARG 90 + H ARG 90 OK 100 100 100 100 2.9-2.9 2.9=100 HA VAL 133 - H ARG 90 far 0 65 0 - 8.8-9.6 HB3 SER 9 - H ARG 90 far 0 97 0 - 9.8-46.6 HB2 SER 9 - H ARG 90 far 0 97 0 - 9.9-47.5 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 2.1-2.5 3.8=100 HB2 MET 11 - H ARG 90 far 0 97 0 - 7.2-41.1 HB2 LYS 95 - H ARG 90 far 0 73 0 - 8.6-10.0 HB3 ARG 84 - H ARG 90 far 0 98 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 7218 from nnoeabs.peaks (1.95, 8.56, 117.97 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 90 + H ARG 90 OK 100 100 100 100 3.4-3.6 3.8=92, 2.9/7219=62...(14) HB3 LYS 86 - H ARG 90 far 0 100 0 - 5.5-6.4 HB2 MET 11 - H ARG 90 far 0 63 0 - 7.2-41.1 HB2 LYS 95 - H ARG 90 far 0 93 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 7219 from nnoeabs.peaks (2.02, 8.56, 117.97 ppm; 3.45 A): 1 out of 8 assignments used, quality = 1.00: * HG2 ARG 90 + H ARG 90 OK 100 100 100 100 2.3-3.2 2814=64, 1.8/7220=61...(22) HB2 GLU 91 - H ARG 90 far 0 63 0 - 4.4-4.9 HB3 GLU 91 - H ARG 90 far 0 97 0 - 5.9-6.1 HB ILE 129 - H ARG 90 far 0 83 0 - 8.1-9.2 HB3 MET 11 - H ARG 90 far 0 100 0 - 8.5-40.5 HG3 ARG 135 - H ARG 90 far 0 97 0 - 8.8-9.8 QE MET 11 - H ARG 90 far 0 87 0 - 8.9-36.2 HB VAL 20 - H ARG 90 far 0 81 0 - 9.1-35.5 Violated in 0 structures by 0.00 A. Peak 7220 from nnoeabs.peaks (1.73, 8.56, 117.97 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 90 + H ARG 90 OK 100 100 100 100 3.4-4.3 1.8/7219=84, 2823=79...(24) HG13 ILE 129 - H ARG 90 far 0 96 0 - 5.5-9.2 HB ILE 80 - H ARG 90 far 0 100 0 - 6.7-7.3 HG2 ARG 135 - H ARG 90 far 0 78 0 - 9.9-11.5 Violated in 4 structures by 0.04 A. Peak 7221 from nnoeabs.peaks (3.17, 8.56, 117.97 ppm; 4.74 A): 2 out of 5 assignments used, quality = 1.00: * HD2 ARG 90 + H ARG 90 OK 100 100 100 100 3.6-4.7 3.0/7219=87, 3.0/7220=81...(23) HD3 ARG 90 + H ARG 90 OK 95 100 95 100 4.0-5.4 3.0/7219=87, 3.0/7220=81...(23) HB2 HIS 10 - H ARG 90 far 0 100 0 - 8.5-44.2 HD2 ARG 84 - H ARG 90 far 0 68 0 - 8.8-13.3 HD3 ARG 84 - H ARG 90 far 0 68 0 - 8.9-13.3 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 5 assignments used, quality = 1.00: * HD3 ARG 90 + H ARG 90 OK 100 100 100 100 4.0-5.4 3.0/7219=93, 3.0/7220=88...(23) HD2 ARG 90 + H ARG 90 OK 100 100 100 100 3.6-4.7 3.0/7219=93, 3.0/7220=88...(23) HB2 HIS 10 - H ARG 90 far 0 100 0 - 8.5-44.2 HD2 ARG 84 - H ARG 90 far 0 63 0 - 8.8-13.3 HD3 ARG 84 - H ARG 90 far 0 63 0 - 8.9-13.3 Violated in 0 structures by 0.00 A. Peak 7223 from nnoeabs.peaks (8.13, 8.56, 117.97 ppm; 3.70 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 91 + H ARG 90 OK 100 100 100 100 2.4-2.6 7230=95, 7233/7218=46...(16) H PHE 87 - H ARG 90 far 0 98 0 - 4.7-5.0 H ALA 15 - H ARG 90 far 0 89 0 - 8.6-40.2 H VAL 133 - H ARG 90 far 0 83 0 - 8.7-9.3 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 3.9-4.3 7248=100, 7250/7223=88...(13) 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 5 assignments used, quality = 1.00: * HA PHE 87 + H GLU 91 OK 100 100 100 100 3.8-4.4 7206/7223=76...(13) HA ALA 12 - H GLU 91 far 4 83 5 - 5.5-37.9 HA SER 74 - H GLU 91 far 0 68 0 - 8.6-9.2 HA ALA 15 - H GLU 91 far 0 83 0 - 8.9-44.3 HA ARG 84 - H GLU 91 far 0 89 0 - 8.9-9.6 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 3.2-3.7 2747=98, 2860/2861=58...(13) HA SER 94 - H GLU 91 far 0 60 0 - 7.2-7.6 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 2 assignments used, quality = 1.00: * H PHE 89 + H GLU 91 OK 100 100 100 100 3.7-4.3 7209/7223=86...(11) H HIS 10 - H GLU 91 far 0 71 0 - 6.9-45.3 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 4.5-4.9 3.6/7223=80...(7) HB2 SER 74 - H GLU 91 far 0 87 0 - 9.5-11.9 HB3 SER 74 - H GLU 91 far 0 89 0 - 9.9-11.9 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 2.4-2.6 7223=100, 7218/7233=47...(16) 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 3 assignments used, quality = 1.00: * HA ARG 90 + H GLU 91 OK 100 100 100 100 3.5-3.6 3.6=100 HB2 SER 9 - H GLU 91 far 0 97 0 - 7.9-47.4 HB3 SER 9 - H GLU 91 far 0 97 0 - 7.9-46.5 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 4 assignments used, quality = 1.00: * HB2 ARG 90 + H GLU 91 OK 100 100 100 100 2.5-3.0 4.4=100 HB2 MET 11 - H GLU 91 far 0 97 0 - 6.8-41.3 HB2 LYS 95 - H GLU 91 far 0 73 0 - 6.9-8.5 HB3 LYS 95 - H GLU 91 far 0 65 0 - 8.6-9.6 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 5 assignments used, quality = 0.97: * HB3 ARG 90 + H GLU 91 OK 97 100 100 97 3.3-3.7 4.4=65, 7218/7223=49...(10) HB2 MET 11 - H GLU 91 far 0 63 0 - 6.8-41.3 HB2 LYS 95 - H GLU 91 far 0 93 0 - 6.9-8.5 HB3 LYS 86 - H GLU 91 far 0 100 0 - 7.4-8.4 HB3 LYS 95 - H GLU 91 far 0 97 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 7234 from nnoeabs.peaks (2.02, 8.13, 119.27 ppm; 3.65 A): 2 out of 6 assignments used, quality = 0.99: HB3 GLU 91 + H GLU 91 OK 97 97 100 100 3.5-3.6 2869=82, 1.8/2861=70...(16) HB2 GLU 91 + H GLU 91 OK 63 63 100 100 2.1-2.7 4.0=77, 1.8/2869=68...(18) ! HG2 ARG 90 - H GLU 91 far 5 100 5 - 4.2-4.9 HB3 MET 11 - H GLU 91 far 0 100 0 - 7.1-41.0 QE MET 11 - H GLU 91 far 0 87 0 - 7.4-36.5 HB ILE 129 - H GLU 91 far 0 83 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 7235 from nnoeabs.peaks (1.73, 8.13, 119.27 ppm; 5.19 A): 1 out of 3 assignments used, quality = 1.00: * HG3 ARG 90 + H GLU 91 OK 100 100 100 100 4.7-5.2 1.8/2822=93, 2.9/7233=90...(11) HG13 ILE 129 - H GLU 91 far 0 96 0 - 6.1-9.8 HB ILE 80 - H GLU 91 far 0 100 0 - 9.1-9.8 Violated in 1 structures by 0.00 A. Peak 7236 from nnoeabs.peaks (3.17, 8.13, 119.27 ppm; 6.24 A): 2 out of 5 assignments used, quality = 1.00: * HD2 ARG 90 + H GLU 91 OK 100 100 100 100 5.3-6.3 3.0/2822=95, 3.8/7233=95...(8) HD3 ARG 90 + H GLU 91 OK 100 100 100 100 5.0-6.5 3.0/2822=95, 3.8/7233=95...(8) HB2 HIS 10 - H GLU 91 far 5 100 5 - 6.4-44.4 HD2 ARG 84 - H GLU 91 far 0 68 0 - 9.3-14.0 HD3 ARG 84 - H GLU 91 far 0 68 0 - 9.8-14.1 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 5 assignments used, quality = 1.00: * HD3 ARG 90 + H GLU 91 OK 100 100 100 100 5.0-6.5 3.0/2822=99, 3.8/7233=99...(8) HD2 ARG 90 + H GLU 91 OK 100 100 100 100 5.3-6.3 3.0/2822=99, 3.8/7233=99...(8) HB2 HIS 10 - H GLU 91 far 5 100 5 - 6.4-44.4 HD2 ARG 84 - H GLU 91 far 0 63 0 - 9.3-14.0 HD3 ARG 84 - H GLU 91 far 0 63 0 - 9.8-14.1 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 3 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 far 0 99 0 - 5.4-7.3 HA3 GLY 17 - H GLU 91 far 0 85 0 - 9.4-40.9 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 4 assignments used, quality = 1.00: * HB2 GLU 91 + H GLU 91 OK 100 100 100 100 2.1-2.7 2861=100, 1.8/2869=73...(19) HG2 ARG 90 + H GLU 91 OK 39 63 65 95 4.2-4.9 2.9/7233=58, 1.8/7235=39...(9) HB3 MET 11 - H GLU 91 far 0 63 0 - 7.1-41.0 HB ILE 129 - H GLU 91 far 0 99 0 - 8.9-10.2 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 4 assignments used, quality = 1.00: * HB3 GLU 91 + H GLU 91 OK 100 100 100 100 3.5-3.6 2869=100, 1.8/2861=78...(16) HG2 ARG 90 + H GLU 91 OK 82 97 85 99 4.2-4.9 2.9/7233=60, 2822=59...(10) HB3 MET 11 - H GLU 91 far 0 97 0 - 7.1-41.0 QE MET 11 - H GLU 91 far 0 99 0 - 7.4-36.5 Violated in 0 structures by 0.00 A. Peak 7241 from nnoeabs.peaks (2.23, 8.13, 119.27 ppm; 3.92 A increased from 3.69 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 91 + H GLU 91 OK 100 100 100 100 1.9-3.9 2876=95, 1.8/7242=77...(15) HB3 LEU 96 - H GLU 91 far 0 98 0 - 8.6-9.2 HB3 GLU 128 - H GLU 91 far 0 100 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 7242 from nnoeabs.peaks (2.11, 8.13, 119.27 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 91 + H GLU 91 OK 100 100 100 100 2.5-4.0 2883=97, 1.8/7241=72...(15) HB2 GLU 128 - H GLU 91 far 0 63 0 - 8.5-10.4 Violated in 3 structures by 0.01 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 2.7-2.8 7250=100, 7252/2861=40...(15) 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 3.8-4.4 7227/7250=65...(14) HA SER 94 - H ALA 92 far 0 60 0 - 6.7-7.0 HA GLU 128 - H ALA 92 far 0 99 0 - 7.8-8.8 Violated in 0 structures by 0.00 A. Peak 7247 from nnoeabs.peaks (4.08, 7.82, 123.43 ppm; 4.15 A increased from 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 89 + H ALA 92 OK 100 100 100 100 3.9-4.1 2897/7257=67, 2763=47...(16) HB2 SER 74 - H ALA 92 far 0 87 0 - 10.0-12.2 Violated in 0 structures by 0.00 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 3.9-4.3 7223/7250=78, 7224=74...(13) 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 3.9-4.1 3.6/7250=94, 9884=91...(14) HB3 SER 9 - H ALA 92 far 0 97 0 - 7.7-45.8 HB2 SER 9 - H ALA 92 far 0 97 0 - 7.8-46.8 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 4 assignments used, quality = 1.00: * H GLU 91 + H ALA 92 OK 100 100 100 100 2.7-2.8 7243=84, 2861/7252=35...(15) H PHE 87 - H ALA 92 far 0 98 0 - 7.8-8.2 H VAL 133 - H ALA 92 far 0 83 0 - 9.2-9.8 H ALA 15 - H ALA 92 far 0 89 0 - 9.5-42.9 Violated in 0 structures by 0.00 A. Peak 7251 from nnoeabs.peaks (3.98, 7.82, 123.43 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 91 + H ALA 92 OK 100 100 100 100 3.5-3.5 3.6=100 HB3 SER 94 - H ALA 92 far 0 99 0 - 5.2-7.3 HB2 SER 124 - H ALA 92 far 0 92 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 7252 from nnoeabs.peaks (1.99, 7.82, 123.43 ppm; 3.88 A increased from 3.65 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 91 + H ALA 92 OK 100 100 100 100 2.8-3.8 2867=84, 1.8/2875=66...(22) HG2 ARG 90 - H ALA 92 far 0 63 0 - 5.9-6.4 HB3 MET 11 - H ALA 92 far 0 63 0 - 6.2-42.4 HB ILE 129 - H ALA 92 far 0 99 0 - 6.8-8.2 Violated in 0 structures by 0.00 A. Peak 7253 from nnoeabs.peaks (2.03, 7.82, 123.43 ppm; 4.23 A increased from 3.76 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 91 + H ALA 92 OK 100 100 100 100 3.8-4.2 2875=100, 1.8/2867=80...(20) QE MET 11 - H ALA 92 far 0 99 0 - 5.5-37.6 HG2 ARG 90 - H ALA 92 far 0 97 0 - 5.9-6.4 HB3 MET 11 - H ALA 92 far 0 97 0 - 6.2-42.4 HG3 ARG 135 - H ALA 92 far 0 100 0 - 10.0-10.9 Violated in 0 structures by 0.00 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 2.2-4.3 2882=88, 1.8/7255=75...(19) HB3 LEU 96 - H ALA 92 far 0 98 0 - 6.4-7.0 HB3 GLU 128 - H ALA 92 far 0 100 0 - 6.6-7.5 Violated in 2 structures by 0.01 A. Peak 7255 from nnoeabs.peaks (2.11, 7.82, 123.43 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 91 + H ALA 92 OK 100 100 100 100 1.9-4.6 1.8/7254=79, 2889=75...(23) HB2 GLU 128 - H ALA 92 far 0 63 0 - 5.9-7.7 Violated in 2 structures by 0.03 A. Peak 7256 from nnoeabs.peaks (4.05, 7.82, 123.43 ppm; 3.57 A): 1 out of 5 assignments used, quality = 1.00: * HA ALA 92 + H ALA 92 OK 100 100 100 100 2.9-2.9 2.9=100 HA LYS 95 - H ALA 92 far 0 63 0 - 7.3-7.8 HA LEU 96 - H ALA 92 far 0 99 0 - 8.3-9.0 HA LEU 122 - H ALA 92 far 0 100 0 - 9.7-10.8 HB2 SER 74 - H ALA 92 far 0 83 0 - 10.0-12.2 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 2.1-2.3 3.0=95, 7267/7258=30...(20) HG2 LYS 86 - H ALA 92 far 0 98 0 - 8.7-9.7 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 5 assignments used, quality = 0.99: * H VAL 93 + H ALA 92 OK 99 100 100 99 2.2-2.5 7265=69, 7267/7257=49...(16) H ASN 13 - H ALA 92 far 0 100 0 - 6.5-40.5 H MET 11 - H ALA 92 far 0 78 0 - 7.3-41.5 H ALA 12 - H ALA 92 far 0 97 0 - 7.7-40.6 H SER 74 - H ALA 92 far 0 63 0 - 9.9-10.5 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 4.0-4.4 7277=81, 7279/7258=70...(18) H ILE 129 - H ALA 92 far 0 97 0 - 6.2-7.2 Violated in 2 structures by 0.01 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): 1 out of 3 assignments used, quality = 1.00: * HA PHE 89 + H VAL 93 OK 100 100 100 100 3.9-4.8 7247/7258=99...(7) HB2 SER 74 - H VAL 93 far 0 87 0 - 8.2-10.2 HB3 SER 74 - H VAL 93 far 0 89 0 - 8.8-10.2 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 6 assignments used, quality = 1.00: * HA ARG 90 + H VAL 93 OK 100 100 100 100 2.9-3.4 2792=100, 9953/2918=78...(13) HB2 SER 9 - H VAL 93 far 0 97 0 - 7.8-44.7 HB3 SER 9 - H VAL 93 far 0 97 0 - 8.4-43.7 HA SER 130 - H VAL 93 far 0 96 0 - 9.1-10.1 HB2 SER 130 - H VAL 93 far 0 63 0 - 9.5-11.5 HB3 SER 130 - H VAL 93 far 0 83 0 - 9.9-11.1 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 = 0.99: * H GLU 91 + H VAL 93 OK 99 100 100 99 4.0-4.4 7250/7258=81...(9) H VAL 133 - H VAL 93 far 0 83 0 - 8.9-9.8 H PHE 87 - H VAL 93 far 0 98 0 - 9.0-9.4 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 3 assignments used, quality = 1.00: * HA GLU 91 + H VAL 93 OK 100 100 100 100 4.4-5.1 3.6/7258=91, 2.9/7263=82...(8) HB3 SER 94 + H VAL 93 OK 61 99 65 96 4.8-6.4 3.6/7279=89...(3) HB2 SER 124 - H VAL 93 far 0 92 0 - 9.7-10.7 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 2.2-2.5 7258=100, 7257/7267=62...(16) 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 LYS 95 - H VAL 93 far 0 63 0 - 6.7-7.0 HA LEU 96 - H VAL 93 far 0 99 0 - 7.0-7.5 HB2 SER 74 - H VAL 93 far 0 83 0 - 8.2-10.2 HA LEU 122 - H VAL 93 far 0 100 0 - 8.6-9.5 HB3 SER 74 - H VAL 93 far 0 81 0 - 8.8-10.2 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 2 assignments used, quality = 1.00: * QB ALA 92 + H VAL 93 OK 100 100 100 100 2.4-2.9 3.7=99, 7257/7258=63...(17) HG2 LYS 86 - H VAL 93 far 0 98 0 - 8.8-9.8 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 4 assignments used, quality = 1.00: * HA VAL 93 + H VAL 93 OK 100 100 100 100 2.7-2.8 2.9=100 HB3 HIS 10 - H VAL 93 far 0 100 0 - 7.7-39.7 HB3 PHE 87 - H VAL 93 far 0 89 0 - 8.9-9.5 HB2 PHE 87 - H VAL 93 far 0 81 0 - 9.8-10.3 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 1 assignment used, quality = 1.00: * HB VAL 93 + H VAL 93 OK 100 100 100 100 2.3-2.5 2.1/2918=77, 4.0=73...(10) 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 2.2-2.6 2918=100, 2.1/7269=58...(15) QD1 ILE 80 - H VAL 93 far 0 83 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 7271 from nnoeabs.peaks (0.75, 8.43, 119.94 ppm; 3.93 A increased from 3.70 A): 3 out of 5 assignments used, quality = 1.00: * QG1 VAL 93 + H VAL 93 OK 99 100 100 99 3.7-3.8 3.9=99 QD2 LEU 96 + H VAL 93 OK 34 100 35 98 4.1-5.0 11806/2.9=53...(20) HG12 ILE 129 + H VAL 93 OK 29 100 30 98 3.6-6.0 2.1/9965=51...(13) QD1 LEU 96 - H VAL 93 far 0 78 0 - 6.3-7.2 QD2 LEU 43 - H VAL 93 far 0 100 0 - 9.4-10.4 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 2.7-3.0 3.6=100 H ILE 129 - H VAL 93 far 0 97 0 - 5.6-6.5 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...(13) 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 2.8-3.6 2793/7281=67...(11) HB2 SER 9 - H SER 94 far 0 97 0 - 5.6-42.8 HB3 SER 9 - H SER 94 far 0 97 0 - 6.0-41.8 HB2 SER 130 - H SER 51 far 0 54 0 - 8.3-10.5 HB3 SER 130 - H SER 51 far 0 73 0 - 8.7-9.7 HA LEU 43 - H SER 51 far 0 85 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 7276 from nnoeabs.peaks (3.98, 7.99, 115.96 ppm; 3.49 A): 3 out of 8 assignments used, quality = 1.00: HB3 SER 94 + H SER 94 OK 93 99 100 94 2.5-3.6 3.6=88, 7290/3.4=41...(4) HB3 SER 51 + H SER 51 OK 92 94 100 98 2.3-3.6 3.8=75, 1.8/1616=71...(8) HA SER 50 + H SER 51 OK 80 81 100 99 3.4-3.5 3.6=94, 3.0/1601=39...(12) ! HA GLU 91 - H SER 94 far 0 100 0 - 4.1-4.5 HA GLN 127 - H SER 51 far 0 88 0 - 6.5-7.8 HA2 GLY 17 - H SER 94 far 0 85 0 - 8.7-40.9 HA3 GLY 17 - H SER 94 far 0 85 0 - 8.9-39.8 HA THR 65 - H SER 51 far 0 89 0 - 9.1-9.7 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 4.0-4.4 7259=100, 7258/7279=77...(18) Violated in 0 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 4.6-5.0 3.6/7279=83, 2.9/7259=80...(15) HA LYS 95 + H SER 94 OK 56 63 100 89 5.3-5.4 3.6/7288=43, 5.0/9225=31...(9) HB2 SER 74 - H SER 94 far 0 83 0 - 6.9-9.3 HA LEU 96 - H SER 94 far 0 99 0 - 6.9-7.1 HB THR 65 - H SER 51 far 0 77 0 - 7.1-7.7 HB3 SER 74 - H SER 94 far 0 81 0 - 7.8-9.3 HA GLU 44 - H SER 51 far 0 94 0 - 8.6-9.0 HA LEU 122 - H SER 94 far 0 100 0 - 8.8-9.7 HA LEU 119 - H SER 51 far 0 69 0 - 10.0-11.0 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 6 assignments used, quality = 1.00: * H VAL 93 + H SER 94 OK 100 100 100 100 2.7-3.0 3.6=87, 7269/7281=45...(15) H ASP 47 - H SER 51 far 0 66 0 - 6.0-6.4 H MET 11 - H SER 94 far 0 78 0 - 6.6-37.8 H SER 74 - H SER 94 far 0 63 0 - 7.4-8.1 H ASN 13 - H SER 94 far 0 100 0 - 8.2-37.2 H ALA 12 - H SER 94 far 0 97 0 - 9.4-37.3 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 5 assignments used, quality = 1.00: * HA VAL 93 + H SER 94 OK 100 100 100 100 3.6-3.6 3.6=100 HB3 HIS 4 - H SER 51 far 0 75 0 - 7.7-65.6 HB3 HIS 10 - H SER 94 far 0 100 0 - 8.8-38.0 HB3 PHE 87 - H SER 94 far 0 89 0 - 9.6-10.3 HB2 HIS 5 - H SER 51 far 0 75 0 - 9.7-64.1 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 3 assignments used, quality = 1.00: * HB VAL 93 + H SER 94 OK 100 100 100 100 2.4-2.6 2.1/7283=67, 2.1/2923=55...(22) HB3 LEU 123 - H SER 51 far 0 78 0 - 5.6-7.4 HB2 LEU 100 - H SER 94 far 0 99 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 7282 from nnoeabs.peaks (0.29, 7.99, 115.96 ppm; 4.12 A increased from 3.87 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 93 + H SER 94 OK 100 100 100 100 3.9-4.0 2923=100, 2.1/7283=84...(26) QD1 ILE 80 - H SER 94 far 0 83 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 7283 from nnoeabs.peaks (0.75, 7.99, 115.96 ppm; 3.54 A): 1 out of 8 assignments used, quality = 1.00: * QG1 VAL 93 + H SER 94 OK 100 100 100 100 2.6-2.9 2929=70, 2.1/7281=67...(18) QD2 LEU 96 - H SER 94 far 0 100 0 - 4.3-5.5 HG12 ILE 129 - H SER 94 far 0 100 0 - 6.3-8.1 QD1 LEU 96 - H SER 94 far 0 78 0 - 6.7-7.2 QD1 LEU 96 - H SER 51 far 0 69 0 - 8.7-9.5 QD2 LEU 43 - H SER 51 far 0 93 0 - 9.1-10.0 QD2 LEU 103 - H SER 51 far 0 90 0 - 9.4-10.4 QD2 LEU 96 - H SER 51 far 0 94 0 - 9.5-11.5 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 4 assignments used, quality = 1.00: * HA SER 94 + H SER 94 OK 100 100 100 100 2.7-2.8 2.9=100 HA SER 51 + H SER 51 OK 81 81 100 100 2.8-2.9 3.0=100 HA ALA 88 - H SER 94 far 0 60 0 - 7.6-8.2 HA SER 124 - H SER 51 far 0 91 0 - 9.3-10.7 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 9 assignments used, quality = 1.00: * HB2 SER 94 + H SER 94 OK 100 100 100 100 2.1-2.6 3.6=100 HB3 SER 50 + H SER 51 OK 80 84 100 95 2.9-4.3 1.8/1601=60, 4.7=57...(16) HA ALA 46 - H SER 51 far 0 92 0 - 6.8-7.4 HA LEU 70 - H SER 94 far 0 81 0 - 7.2-7.7 HA3 GLY 2 - H SER 51 far 0 90 0 - 7.3-71.3 HA2 GLY 2 - H SER 51 far 0 90 0 - 7.7-71.4 HA3 GLY 14 - H SER 94 far 0 89 0 - 8.7-40.2 HA LYS 86 - H SER 94 far 0 92 0 - 8.8-9.8 HA2 GLY 14 - H SER 94 far 0 90 0 - 9.6-39.1 Violated in 0 structures by 0.00 A. Peak 7286 from nnoeabs.peaks (3.97, 7.99, 115.96 ppm; 3.50 A): 4 out of 9 assignments used, quality = 1.00: * HB3 SER 94 + H SER 94 OK 94 100 100 94 2.5-3.6 3.6=89, 7297/3.4=42...(4) HB3 SER 51 + H SER 51 OK 88 90 100 98 2.3-3.6 3.8=75, 1.8/1616=71...(8) HA SER 50 + H SER 51 OK 64 64 100 99 3.4-3.5 3.6=95, 3.0/1601=39...(12) HB2 SER 51 + H SER 51 OK 44 49 100 89 2.2-2.8 3.8=75, 1620/3.1=20...(7) HA GLU 91 - H SER 94 far 0 99 0 - 4.1-4.5 HA GLN 127 - H SER 51 far 0 94 0 - 6.5-7.8 HA2 GLY 17 - H SER 94 far 0 97 0 - 8.7-40.9 HA3 GLY 17 - H SER 94 far 0 97 0 - 8.9-39.8 HA THR 65 - H SER 51 far 0 94 0 - 9.1-9.7 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 3 assignments used, quality = 1.00: * H LYS 95 + H SER 94 OK 100 100 100 100 2.7-2.9 3.4=100 H LEU 53 + H SER 51 OK 84 90 100 94 3.4-4.0 6658=47, 6657/3.6=34...(15) H CYS 45 - H SER 51 far 0 77 0 - 9.4-9.9 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 6 assignments used, quality = 1.00: * H LEU 96 + H SER 94 OK 99 100 100 99 4.1-4.3 7311/3.6=63...(15) H LEU 49 + H SER 51 OK 53 54 100 98 3.9-4.4 6610=48, 3.6/1491=35...(20) H LEU 123 - H SER 51 far 0 82 0 - 7.9-9.5 H SER 99 - H SER 94 far 0 89 0 - 8.0-8.8 H VAL 126 - H SER 51 far 0 81 0 - 8.7-9.7 H VAL 126 - H SER 94 far 0 90 0 - 9.0-9.4 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): 1 out of 4 assignments used, quality = 0.85: HB3 SER 94 + H LYS 95 OK 85 99 100 86 2.8-4.1 4.4=76, 7276/3.4=22...(5) ! HA GLU 91 - H LYS 95 far 0 100 0 - 4.8-5.4 HB3 SER 99 - H LYS 95 far 0 71 0 - 7.9-9.0 HB2 SER 124 - H LYS 95 far 0 92 0 - 8.8-9.7 Violated in 1 structures by 0.00 A. Peak 7291 from nnoeabs.peaks (4.05, 7.71, 121.43 ppm; 4.27 A): 2 out of 5 assignments used, quality = 1.00: * HA ALA 92 + H LYS 95 OK 100 100 100 100 3.5-3.8 2894=80, 3.6/7273=38...(20) HA LYS 95 + H LYS 95 OK 63 63 100 100 2.9-2.9 2.9=100 HA LEU 96 - H LYS 95 far 0 99 0 - 4.9-5.1 HA LEU 122 - H LYS 95 far 0 100 0 - 6.7-7.7 HB2 SER 74 - H LYS 95 far 0 83 0 - 9.0-11.5 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 5 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...(13) H ASN 13 - H LYS 95 far 0 100 0 - 8.5-39.0 H MET 11 - H LYS 95 far 0 78 0 - 8.6-39.3 H ALA 12 - H LYS 95 far 0 97 0 - 9.4-39.1 H SER 74 - H LYS 95 far 0 63 0 - 9.4-10.1 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 2 assignments used, quality = 1.00: * HA VAL 93 + H LYS 95 OK 100 100 100 100 3.8-4.1 7311/3.1=88...(28) HB3 HIS 10 - H LYS 95 far 0 100 0 - 8.9-38.4 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 2.7-2.9 3.4=100 H ILE 129 - H LYS 95 far 0 97 0 - 8.2-8.5 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 3 assignments used, quality = 1.00: * HA SER 94 + H LYS 95 OK 100 100 100 100 3.5-3.5 3.6=100 HA SER 99 - H LYS 95 far 0 92 0 - 8.4-9.2 HA ALA 88 - H LYS 95 far 0 60 0 - 8.6-9.2 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 3 assignments used, quality = 1.00: * HB2 SER 94 + H LYS 95 OK 100 100 100 100 3.2-4.1 4.4=100 HA LEU 70 - H LYS 95 far 0 81 0 - 8.3-8.8 HA3 GLY 14 - H LYS 95 far 0 89 0 - 9.7-42.3 Violated in 0 structures by 0.00 A. Peak 7297 from nnoeabs.peaks (3.97, 7.71, 121.43 ppm; 3.97 A): 1 out of 3 assignments used, quality = 0.85: * HB3 SER 94 + H LYS 95 OK 85 100 100 85 2.8-4.1 4.4=73, 7276/3.4=21...(5) HA GLU 91 - H LYS 95 far 0 99 0 - 4.8-5.4 HB2 SER 124 - H LYS 95 far 0 76 0 - 8.8-9.7 Violated in 2 structures by 0.01 A. Peak 7298 from nnoeabs.peaks (4.02, 7.71, 121.43 ppm; 4.00 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 95 + H LYS 95 OK 100 100 100 100 2.9-2.9 2.9=100 HA ALA 92 + H LYS 95 OK 60 63 100 96 3.5-3.8 3.6/7273=33, 2894=32...(19) HA LEU 96 - H LYS 95 far 0 78 0 - 4.9-5.1 HB3 SER 99 - H LYS 95 far 0 93 0 - 7.9-9.0 HB2 SER 124 - H LYS 95 far 0 73 0 - 8.8-9.7 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 2.1-2.9 4.0=79, 3.0/7301=23...(22) HB3 LYS 95 + H LYS 95 OK 98 100 100 98 3.4-3.6 4.0=79, 3.0/7301=23...(22) HB3 ARG 90 - H LYS 95 far 0 93 0 - 6.2-7.1 HB2 ARG 90 - H LYS 95 far 0 73 0 - 7.1-8.0 HB2 MET 11 - H LYS 95 far 0 93 0 - 8.5-40.9 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 2.1-2.9 4.0=79, 3.0/7301=23...(22) * HB3 LYS 95 + H LYS 95 OK 98 100 100 98 3.4-3.6 4.0=79, 3.0/7301=23...(22) HB3 ARG 90 - H LYS 95 far 0 97 0 - 6.2-7.1 HB2 ARG 90 - H LYS 95 far 0 65 0 - 7.1-8.0 HB2 MET 11 - H LYS 95 far 0 89 0 - 8.5-40.9 Violated in 0 structures by 0.00 A. Peak 7301 from nnoeabs.peaks (1.39, 7.71, 121.43 ppm; 4.28 A): 2 out of 7 assignments used, quality = 1.00: * HG2 LYS 95 + H LYS 95 OK 100 100 100 100 1.9-4.5 4.6=81, 3.0/7299=36...(34) HG3 LYS 95 + H LYS 95 OK 100 100 100 100 1.6-4.1 4.6=81, 3.0/7299=36...(33) HB2 LEU 96 - H LYS 95 far 0 99 0 - 5.3-5.7 HG LEU 96 - H LYS 95 far 0 97 0 - 5.4-6.0 QB ALA 12 - H LYS 95 far 0 63 0 - 6.7-30.7 QB ALA 15 - H LYS 95 far 0 100 0 - 6.8-36.5 QB ALA 16 - H LYS 95 far 0 89 0 - 9.5-39.4 Violated in 0 structures by 0.00 A. Peak 7302 from nnoeabs.peaks (1.39, 7.71, 121.43 ppm; 4.28 A): 2 out of 7 assignments used, quality = 1.00: HG2 LYS 95 + H LYS 95 OK 100 100 100 100 1.9-4.5 4.6=81, 3.0/7299=36...(34) * HG3 LYS 95 + H LYS 95 OK 100 100 100 100 1.6-4.1 4.6=81, 3.0/7299=36...(33) HB2 LEU 96 - H LYS 95 far 0 100 0 - 5.3-5.7 HG LEU 96 - H LYS 95 far 0 96 0 - 5.4-6.0 QB ALA 12 - H LYS 95 far 0 68 0 - 6.7-30.7 QB ALA 15 - H LYS 95 far 0 100 0 - 6.8-36.5 QB ALA 16 - H LYS 95 far 0 85 0 - 9.5-39.4 Violated in 0 structures by 0.00 A. Peak 7303 from nnoeabs.peaks (1.65, 7.71, 121.43 ppm; 4.53 A increased from 4.03 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 95 + H LYS 95 OK 100 100 100 100 2.3-4.7 5.5=56, 3.7/7299=35...(44) HD3 LYS 95 + H LYS 95 OK 100 100 100 100 1.9-4.5 5.5=56, 3.7/7299=35...(44) HB2 LEU 98 - H LYS 95 far 15 100 15 - 5.0-5.6 QB ALA 88 - H LYS 95 far 0 99 0 - 8.4-9.3 HB2 LEU 69 - H LYS 95 far 0 92 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 7304 from nnoeabs.peaks (1.66, 7.71, 121.43 ppm; 4.53 A increased from 4.03 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 95 + H LYS 95 OK 100 100 100 100 1.9-4.5 5.5=56, 3.7/7299=35...(44) HD2 LYS 95 + H LYS 95 OK 100 100 100 100 2.3-4.7 5.5=56, 3.7/7299=35...(44) HB2 LEU 98 - H LYS 95 far 15 99 15 - 5.0-5.6 QB ALA 88 - H LYS 95 far 0 100 0 - 8.4-9.3 HB2 LEU 69 - H LYS 95 far 0 97 0 - 9.0-9.4 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: * HE2 LYS 95 + H LYS 95 OK 100 100 100 100 3.7-5.4 6.7=100 HE3 LYS 95 + H LYS 95 OK 100 100 100 100 4.1-4.9 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: HE2 LYS 95 + H LYS 95 OK 100 100 100 100 3.7-5.4 6.7=100 * HE3 LYS 95 + H LYS 95 OK 100 100 100 100 4.1-4.9 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 3 assignments used, quality = 1.00: * H LEU 96 + H LYS 95 OK 100 100 100 100 2.3-2.5 3.1=100 H SER 99 - H LYS 95 far 0 89 0 - 5.9-6.5 H VAL 126 - H LYS 95 far 0 90 0 - 7.7-8.0 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 3 assignments used, quality = 1.00: * H GLU 97 + H LYS 95 OK 100 100 100 100 3.8-4.0 7335=100, 7330/3.1=91...(15) H SER 9 - H LYS 95 far 0 96 0 - 5.9-43.6 H LEU 100 - H LYS 95 far 0 95 0 - 7.7-8.3 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 7 assignments used, quality = 1.00: HA LEU 96 + H LEU 96 OK 99 99 100 100 2.8-2.9 2.9=100 * HA ALA 92 + H LEU 96 OK 99 100 100 99 4.5-4.9 2894/3.1=63, 4.9/7311=48...(17) HA LYS 95 + H LEU 96 OK 63 63 100 100 3.5-3.5 3.6=100 HA LEU 122 + H LEU 96 OK 29 100 30 95 4.7-5.5 3100/4.6=23, 3067/3.8=23...(24) HB2 SER 74 - H LEU 96 far 0 83 0 - 9.2-11.3 HB3 SER 124 - H LEU 96 far 0 87 0 - 9.2-10.0 HB3 SER 74 - H LEU 96 far 0 81 0 - 9.9-11.6 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 2 assignments used, quality = 1.00: * HA VAL 93 + H LEU 96 OK 100 100 100 100 3.0-3.1 2908=63, 3.2/11432=50...(27) HB3 HIS 10 - H LEU 96 far 0 100 0 - 9.7-39.7 Violated in 0 structures by 0.00 A. Peak 7312 from nnoeabs.peaks (7.99, 8.27, 124.81 ppm; 6.79 A): 1 out of 2 assignments used, quality = 1.00: * H SER 94 + H LEU 96 OK 100 100 100 100 4.1-4.3 3.6/7311=98...(15) H ILE 129 - H LEU 96 poor 19 97 20 - 7.3-7.6 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 4 assignments used, quality = 1.00: * HA SER 94 + H LEU 96 OK 100 100 100 100 4.3-4.5 7334/7330=89...(16) HA SER 99 - H LEU 96 far 0 92 0 - 7.4-8.0 HA SER 124 - H LEU 96 far 0 99 0 - 9.4-9.9 HA HIS 67 - H LEU 96 far 0 92 0 - 9.4-9.8 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 2.3-2.5 3.1=100 H GLN 101 - H LEU 96 far 0 65 0 - 8.3-8.6 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 6 assignments used, quality = 1.00: * HA LYS 95 + H LEU 96 OK 100 100 100 100 3.5-3.5 3.6=100 HA LEU 96 + H LEU 96 OK 78 78 100 100 2.8-2.9 2.9=100 HA ALA 92 + H LEU 96 OK 58 63 100 92 4.5-4.9 4.9/7311=46, 2894/3.1=30...(18) HB3 SER 99 - H LEU 96 far 0 93 0 - 6.5-7.4 HB2 SER 124 - H LEU 96 far 0 73 0 - 7.8-8.9 HB3 SER 124 - H LEU 96 far 0 97 0 - 9.2-10.0 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 6 assignments used, quality = 1.00: * HB2 LYS 95 + H LEU 96 OK 100 100 100 100 2.8-3.1 4.6=86, 7299/3.1=37...(39) HB3 LYS 95 + H LEU 96 OK 100 100 100 100 3.3-4.1 4.6=86, 7299/3.1=37...(38) HB3 ARG 90 - H LEU 96 far 0 93 0 - 8.0-8.7 HB2 ARG 90 - H LEU 96 far 0 73 0 - 9.0-9.6 HB3 LEU 49 - H LEU 96 far 0 81 0 - 9.8-10.6 HB2 MET 11 - H LEU 96 far 0 93 0 - 9.9-41.5 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 6 assignments used, quality = 1.00: * HB3 LYS 95 + H LEU 96 OK 100 100 100 100 3.3-4.1 4.6=86, 7300/3.1=37...(38) HB2 LYS 95 + H LEU 96 OK 100 100 100 100 2.8-3.1 4.6=86, 7300/3.1=37...(39) HB3 ARG 90 - H LEU 96 far 0 97 0 - 8.0-8.7 HB2 ARG 90 - H LEU 96 far 0 65 0 - 9.0-9.6 HB3 LEU 49 - H LEU 96 far 0 73 0 - 9.8-10.6 HB2 MET 11 - H LEU 96 far 0 89 0 - 9.9-41.5 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 8 assignments used, quality = 1.00: HB2 LEU 96 + H LEU 96 OK 99 99 100 100 3.1-3.4 3.8=100 HG LEU 96 + H LEU 96 OK 97 97 100 100 3.4-3.9 3083=89, 11106/11083=56...(25) HG3 LYS 95 + H LEU 96 OK 89 100 90 99 3.5-5.2 7301/3.1=34, 3.0/7316=34...(35) * HG2 LYS 95 + H LEU 96 OK 30 100 30 99 3.9-5.4 7301/3.1=34, 3.0/7316=34...(34) QB ALA 15 - H LEU 96 far 0 100 0 - 8.2-36.7 HB3 LEU 100 - H LEU 96 far 0 99 0 - 8.5-9.0 QB ALA 12 - H LEU 96 far 0 63 0 - 8.6-31.1 QB ALA 16 - H LEU 96 far 0 89 0 - 10.0-39.8 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 8 assignments used, quality = 1.00: HB2 LEU 96 + H LEU 96 OK 100 100 100 100 3.1-3.4 3.8=100 HG LEU 96 + H LEU 96 OK 96 96 100 100 3.4-3.9 3083=86, 11106/11083=56...(25) * HG3 LYS 95 + H LEU 96 OK 90 100 90 99 3.5-5.2 7302/3.1=34, 3.0/7316=34...(35) HG2 LYS 95 + H LEU 96 OK 30 100 30 99 3.9-5.4 7302/3.1=34, 3.0/7316=34...(34) QB ALA 15 - H LEU 96 far 0 100 0 - 8.2-36.7 HB3 LEU 100 - H LEU 96 far 0 99 0 - 8.5-9.0 QB ALA 12 - H LEU 96 far 0 68 0 - 8.6-31.1 QB ALA 16 - H LEU 96 far 0 85 0 - 10.0-39.8 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 6 assignments used, quality = 1.00: * HD2 LYS 95 + H LEU 96 OK 100 100 100 100 4.4-6.4 7303/3.1=44, 3.7/7316=42...(26) HB2 LEU 98 + H LEU 96 OK 100 100 100 100 4.9-5.4 3158/3.6=92...(9) HD3 LYS 95 + H LEU 96 OK 100 100 100 100 4.0-6.1 7303/3.1=44, 3.7/7316=42...(25) HB2 LEU 69 - H LEU 96 far 0 92 0 - 7.1-7.5 QB ALA 88 - H LEU 96 far 0 99 0 - 9.3-10.2 HB2 LEU 123 - H LEU 96 far 0 100 0 - 9.9-10.6 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 6 assignments used, quality = 1.00: * HD3 LYS 95 + H LEU 96 OK 100 100 100 100 4.0-6.1 7304/3.1=44, 3.7/7316=42...(25) HD2 LYS 95 + H LEU 96 OK 100 100 100 100 4.4-6.4 7304/3.1=44, 3.7/7316=42...(26) HB2 LEU 98 + H LEU 96 OK 99 99 100 100 4.9-5.4 3158/3.6=91...(9) HB2 LEU 69 - H LEU 96 far 0 97 0 - 7.1-7.5 QB ALA 88 - H LEU 96 far 0 100 0 - 9.3-10.2 HB2 LEU 123 - H LEU 96 far 0 98 0 - 9.9-10.6 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 7 assignments used, quality = 1.00: * HA LEU 96 + H LEU 96 OK 100 100 100 100 2.8-2.9 2.9=100 HA ALA 92 + H LEU 96 OK 99 99 100 99 4.5-4.9 2894/3.1=62, 4.9/7311=48...(17) HA LYS 95 + H LEU 96 OK 78 78 100 100 3.5-3.5 3.6=100 HA LEU 122 + H LEU 96 OK 33 99 35 95 4.7-5.5 3067/3.8=23, 3100/4.6=20...(24) HB2 SER 74 - H LEU 96 far 0 68 0 - 9.2-11.3 HB3 SER 124 - H LEU 96 far 0 96 0 - 9.2-10.0 HB3 SER 74 - H LEU 96 far 0 65 0 - 9.9-11.6 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 8 assignments used, quality = 1.00: * HB2 LEU 96 + H LEU 96 OK 100 100 100 100 3.1-3.4 3.8=100 HG3 LYS 95 + H LEU 96 OK 89 100 90 99 3.5-5.2 3.0/7316=34, 3.0/7317=34...(35) HG LEU 96 + H LEU 96 OK 89 89 100 100 3.4-3.9 5.0=77, 11106/11083=53...(24) HG2 LYS 95 + H LEU 96 OK 30 99 30 99 3.9-5.4 3.0/7316=34, 3.0/7317=34...(34) QB ALA 15 - H LEU 96 far 0 100 0 - 8.2-36.7 HB3 LEU 100 - H LEU 96 far 0 100 0 - 8.5-9.0 QB ALA 12 - H LEU 96 far 0 81 0 - 8.6-31.1 QB ALA 16 - H LEU 96 far 0 73 0 - 10.0-39.8 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 6 assignments used, quality = 1.00: * HB3 LEU 96 + H LEU 96 OK 100 100 100 100 2.0-2.1 3.8=100 HB3 GLU 97 - H LEU 96 far 0 83 0 - 5.8-6.1 HG2 GLU 91 - H LEU 96 far 0 98 0 - 8.3-9.6 HB3 GLU 128 - H LEU 96 far 0 97 0 - 8.8-9.6 HB3 GLU 102 - H LEU 96 far 0 99 0 - 9.7-12.2 HB3 GLN 127 - H LEU 96 far 0 97 0 - 9.9-10.8 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 7 assignments used, quality = 1.00: * HG LEU 96 + H LEU 96 OK 100 100 100 100 3.4-3.9 3083=91, 11106/11083=56...(25) HB2 LEU 96 + H LEU 96 OK 89 89 100 100 3.1-3.4 3.8=100 HG3 LYS 95 + H LEU 96 OK 86 96 90 99 3.5-5.2 3.0/7316=34, 3.0/7317=34...(35) HG2 LYS 95 + H LEU 96 OK 29 97 30 99 3.9-5.4 3.0/7316=34, 3.0/7317=34...(34) QB ALA 15 - H LEU 96 far 0 92 0 - 8.2-36.7 HB3 LEU 100 - H LEU 96 far 0 87 0 - 8.5-9.0 QB ALA 16 - H LEU 96 far 0 99 0 - 10.0-39.8 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 5 assignments used, quality = 1.00: QG1 VAL 93 + H LEU 96 OK 100 100 100 100 4.1-4.2 11432=53, 3.2/7311=48...(25) * QD2 LEU 96 + H LEU 96 OK 99 100 100 99 3.2-3.9 3098/7330=50...(25) QD1 LEU 96 + H LEU 96 OK 69 76 95 95 4.3-4.4 4.6=55, 2.1/3083=48...(15) HG12 ILE 129 - H LEU 96 far 0 100 0 - 5.9-6.9 QD2 LEU 103 - H LEU 96 far 0 99 0 - 9.1-9.9 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 7 assignments used, quality = 1.00: * QD1 LEU 96 + H LEU 96 OK 99 100 100 99 4.3-4.4 4.6=66, 2.1/3083=55...(16) QG1 VAL 93 + H LEU 96 OK 78 78 100 99 4.1-4.2 3.2/7311=54...(24) QD2 LEU 96 + H LEU 96 OK 75 76 100 99 3.2-3.9 2.1/3083=55, 5.1=51...(24) QD2 LEU 122 + H LEU 96 OK 56 92 65 93 4.1-7.0 3901/2.9=26...(31) HG12 ILE 129 - H LEU 96 far 0 78 0 - 5.9-6.9 QD2 LEU 49 - H LEU 96 far 0 71 0 - 7.0-7.5 QD1 LEU 53 - H LEU 96 far 0 78 0 - 8.4-10.5 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 3 assignments used, quality = 0.98: * H GLU 97 + H LEU 96 OK 98 100 100 98 2.5-2.6 3.7=71, 7335/3.1=28...(21) H LEU 100 - H LEU 96 far 0 95 0 - 6.0-6.5 H SER 9 - H LEU 96 far 0 96 0 - 8.2-45.2 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 4.1-4.3 3.9/7330=100...(17) 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 4.1-4.4 7311/7330=99...(16) 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 3 assignments used, quality = 1.00: * HA SER 94 + H GLU 97 OK 100 100 100 100 3.6-3.8 2935=98, 11457/3133=66...(17) HA SER 99 - H GLU 97 far 0 92 0 - 6.7-7.1 HA HIS 67 - H GLU 97 far 0 92 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 7335 from nnoeabs.peaks (7.71, 8.50, 119.00 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 95 + H GLU 97 OK 100 100 100 100 3.8-4.0 7308=93, 3.1/7330=89...(15) H GLN 101 - H GLU 97 far 0 65 0 - 6.2-6.5 Violated in 0 structures by 0.00 A. Peak 7336 from nnoeabs.peaks (4.02, 8.50, 119.00 ppm; 5.39 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 95 + H GLU 97 OK 100 100 100 100 3.9-4.3 11341=100, 3.6/7330=92...(11) HA LEU 96 + H GLU 97 OK 78 78 100 100 3.5-3.5 3.6=100 HB3 SER 99 - H GLU 97 far 0 93 0 - 6.4-7.3 HA ALA 92 - H GLU 97 far 0 63 0 - 6.9-7.2 HB2 SER 124 - H GLU 97 far 0 73 0 - 9.8-11.2 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 5 assignments used, quality = 1.00: * H LEU 96 + H GLU 97 OK 100 100 100 100 2.5-2.6 3.7=100 H SER 99 + H GLU 97 OK 87 89 100 98 3.8-4.5 7375/3.9=47, 7385=36...(22) H VAL 126 - H GLU 97 far 0 90 0 - 7.1-7.7 H LEU 123 - H GLU 97 far 0 92 0 - 8.7-9.9 H LEU 69 - H GLU 97 far 0 73 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 7338 from nnoeabs.peaks (4.04, 8.50, 119.00 ppm; 5.39 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 96 + H GLU 97 OK 100 100 100 100 3.5-3.5 3.6=100 HA LYS 95 + H GLU 97 OK 78 78 100 100 3.9-4.3 3.6/7330=92, 2.9/7335=78...(11) HA LEU 122 - H GLU 97 far 15 99 15 - 5.3-6.3 HA ALA 92 - H GLU 97 far 0 99 0 - 6.9-7.2 HB2 SER 74 - H GLU 97 far 0 68 0 - 8.0-10.0 HB3 SER 74 - H GLU 97 far 0 65 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 7339 from nnoeabs.peaks (1.38, 8.50, 119.00 ppm; 4.37 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 96 + H GLU 97 OK 99 100 100 99 4.2-4.3 4.4=99 HG LEU 96 + H GLU 97 OK 89 89 100 100 2.5-3.0 2.1/3098=81, 5.0/7330=49...(27) HG3 LYS 95 - H GLU 97 far 0 100 0 - 5.4-6.8 HG2 LYS 95 - H GLU 97 far 0 99 0 - 5.7-7.1 HB3 LEU 100 - H GLU 97 far 0 100 0 - 6.5-7.0 QB ALA 15 - H GLU 97 far 0 100 0 - 6.7-35.1 QB ALA 16 - H GLU 97 far 0 73 0 - 8.5-38.3 QB ALA 12 - H GLU 97 far 0 81 0 - 9.4-29.5 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 4 assignments used, quality = 1.00: * HB3 LEU 96 + H GLU 97 OK 100 100 100 100 3.2-3.5 4.4=67, 3.8/7330=54...(23) HB3 GLU 97 + H GLU 97 OK 83 83 100 100 3.4-3.5 4.0=91, 1.8/7345=79...(13) HB2 GLN 101 - H GLU 97 far 0 57 0 - 8.3-9.4 HB3 GLU 102 - H GLU 97 far 0 99 0 - 8.5-11.1 Violated in 0 structures by 0.00 A. Peak 7341 from nnoeabs.peaks (1.40, 8.50, 119.00 ppm; 4.79 A): 2 out of 7 assignments used, quality = 1.00: * HG LEU 96 + H GLU 97 OK 100 100 100 100 2.5-3.0 2.1/3098=90...(28) HB2 LEU 96 + H GLU 97 OK 89 89 100 100 4.2-4.3 4.4=100 HG3 LYS 95 - H GLU 97 far 0 96 0 - 5.4-6.8 HG2 LYS 95 - H GLU 97 far 0 97 0 - 5.7-7.1 HB3 LEU 100 - H GLU 97 far 0 87 0 - 6.5-7.0 QB ALA 15 - H GLU 97 far 0 92 0 - 6.7-35.1 QB ALA 16 - H GLU 97 far 0 99 0 - 8.5-38.3 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 5 assignments used, quality = 1.00: * QD2 LEU 96 + H GLU 97 OK 100 100 100 100 2.9-4.0 3098=100, 11809/2.8=53...(20) QG1 VAL 93 + H GLU 97 OK 99 100 100 99 3.7-3.9 11849/7348=51...(17) QD1 LEU 96 + H GLU 97 OK 76 76 100 100 3.8-4.2 2.1/3098=75, 4.6/7330=48...(20) HG12 ILE 129 - H GLU 97 far 0 100 0 - 7.7-8.6 QD2 LEU 103 - H GLU 97 far 0 99 0 - 8.3-9.0 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 9 assignments used, quality = 1.00: * QD1 LEU 96 + H GLU 97 OK 100 100 100 100 3.8-4.2 2.1/3098=79...(20) QG1 VAL 93 + H GLU 97 OK 77 78 100 98 3.7-3.9 11849/7348=50...(17) QD2 LEU 96 + H GLU 97 OK 76 76 100 100 2.9-4.0 3098=65, 5.1/7330=46...(20) QD2 LEU 122 + H GLU 97 OK 56 92 80 77 4.1-6.6 3901/3.6=25...(15) QD2 LEU 49 - H GLU 97 far 0 71 0 - 6.8-7.4 HG12 ILE 129 - H GLU 97 far 0 78 0 - 7.7-8.6 QG1 VAL 63 - H GLU 97 far 0 97 0 - 8.7-9.3 QD1 LEU 53 - H GLU 97 far 0 78 0 - 8.9-10.6 QD1 LEU 103 - H GLU 97 far 0 97 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 7344 from nnoeabs.peaks (3.76, 8.50, 119.00 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 97 + H GLU 97 OK 100 100 100 100 2.9-2.9 2.8=100 HB2 SER 99 - H GLU 97 far 0 100 0 - 4.8-6.3 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 3.0-3.2 3118=85, 2.9/7348=53...(12) HB3 LEU 69 - H GLU 97 far 0 65 0 - 7.5-8.3 HG3 GLU 91 - H GLU 97 far 0 60 0 - 9.8-11.9 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 4 assignments used, quality = 1.00: * HB3 GLU 97 + H GLU 97 OK 100 100 100 100 3.4-3.5 4.0=88, 1.8/7345=78...(13) HB3 LEU 96 + H GLU 97 OK 83 83 100 100 3.2-3.5 4.4=65, 3.8/7330=53...(22) HB2 GLN 101 - H GLU 97 far 0 97 0 - 8.3-9.4 HB3 GLU 102 - H GLU 97 far 0 95 0 - 8.5-11.1 Violated in 0 structures by 0.00 A. Peak 7347 from nnoeabs.peaks (2.27, 8.50, 119.00 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 97 + H GLU 97 OK 100 100 100 100 2.1-2.4 4.6=100 HB3 GLN 101 - H GLU 97 far 0 60 0 - 7.0-8.9 Violated in 0 structures by 0.00 A. Peak 7348 from nnoeabs.peaks (2.42, 8.50, 119.00 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 97 + H GLU 97 OK 100 100 100 100 1.7-1.9 3140=98, 1.8/3133=71...(15) HG2 GLN 101 - H GLU 97 far 0 100 0 - 6.0-9.5 HG3 GLU 128 - H GLU 97 far 0 100 0 - 8.8-11.4 Violated in 0 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 2.4-2.6 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 4 assignments used, quality = 1.00: * H SER 99 + H GLU 97 OK 99 100 100 99 3.8-4.5 7375/3.9=60, 7385=44...(23) H LEU 96 + H GLU 97 OK 89 89 100 100 2.5-2.6 3.7=100 H VAL 126 - H GLU 97 far 0 100 0 - 7.1-7.7 H LEU 69 - H GLU 97 far 0 99 0 - 8.9-9.6 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 3 assignments used, quality = 1.00: * HA SER 94 + H LEU 98 OK 100 100 100 100 4.0-4.9 11457/7360=62...(13) HA SER 99 + H LEU 98 OK 90 92 100 98 5.3-5.5 2.9/7375=88...(7) HA HIS 67 - H LEU 98 far 0 92 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 7353 from nnoeabs.peaks (4.02, 7.74, 119.22 ppm; 4.90 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 95 + H LEU 98 OK 100 100 100 100 3.3-3.6 2961=89, 11470/3192=75...(12) HA LEU 96 + H LEU 98 OK 69 78 100 89 4.3-4.9 4.9/2961=45...(9) HB3 SER 99 - H LEU 98 far 0 93 0 - 5.5-6.2 HA ALA 92 - H LEU 98 far 0 63 0 - 8.1-8.3 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 4 assignments used, quality = 1.00: * H LEU 96 + H LEU 98 OK 100 100 100 100 4.1-4.3 7330/3.9=81, 3.6/2961=60...(16) H SER 99 + H LEU 98 OK 89 89 100 100 2.7-2.9 3.8=100 H VAL 126 - H LEU 98 far 0 90 0 - 8.7-9.4 H LEU 123 - H LEU 98 far 0 92 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 7355 from nnoeabs.peaks (4.04, 7.74, 119.22 ppm; 5.16 A): 2 out of 6 assignments used, quality = 0.99: * HA LEU 96 + H LEU 98 OK 95 100 100 95 4.3-4.9 4.9/2961=49, 2.9/7331=42...(10) HA LYS 95 + H LEU 98 OK 78 78 100 100 3.3-3.6 2961=68, 3158/7363=62...(12) HA LEU 122 - H LEU 98 far 0 99 0 - 6.0-7.4 HA ALA 92 - H LEU 98 far 0 99 0 - 8.1-8.3 HA GLU 102 - H LEU 98 far 0 98 0 - 8.8-9.5 HB2 SER 74 - H LEU 98 far 0 68 0 - 9.6-11.5 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 3 assignments used, quality = 1.00: * H GLU 97 + H LEU 98 OK 100 100 100 100 2.4-2.6 3.9=100 H LEU 100 + H LEU 98 OK 94 95 100 100 3.9-4.4 3.4/7375=71, 7391/2.9=42...(18) H SER 9 - H LEU 98 far 0 96 0 - 8.6-42.5 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 80 100 85 94 4.5-5.6 3.7/7375=70, 4.5/7390=28...(12) Violated in 0 structures by 0.00 A. Peak 7358 from nnoeabs.peaks (2.14, 7.74, 119.22 ppm; 4.30 A increased from 4.04 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 97 + H LEU 98 OK 100 100 100 100 2.8-4.2 3124=95, 1.8/7359=80...(15) HB3 LEU 69 - H LEU 98 far 0 65 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 7359 from nnoeabs.peaks (2.21, 7.74, 119.22 ppm; 4.17 A increased from 3.92 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 97 + H LEU 98 OK 100 100 100 100 3.1-4.2 1.8/7358=73, 4.7=72...(14) HB3 LEU 96 - H LEU 98 far 0 83 0 - 5.3-5.7 HB3 GLU 102 - H LEU 98 far 0 95 0 - 6.5-9.4 HB2 GLN 101 - H LEU 98 far 0 97 0 - 6.9-7.7 Violated in 1 structures by 0.00 A. Peak 7360 from nnoeabs.peaks (2.27, 7.74, 119.22 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 97 + H LEU 98 OK 100 100 100 100 3.6-4.4 3139=88, 1.8/7361=77...(16) HB3 GLN 101 - H LEU 98 far 0 60 0 - 5.5-7.0 Violated in 0 structures by 0.00 A. Peak 7361 from nnoeabs.peaks (2.42, 7.74, 119.22 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 97 + H LEU 98 OK 100 100 100 100 1.9-3.4 1.8/7360=82, 2.9/7359=76...(17) HG2 GLN 101 - H LEU 98 far 15 100 15 - 4.5-7.5 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 2.7-2.8 2.9=100 HA GLN 101 - H LEU 98 far 0 100 0 - 7.5-7.9 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 4 assignments used, quality = 1.00: * HB2 LEU 98 + H LEU 98 OK 100 100 100 100 2.1-2.4 3.9=87, 1.8/7364=77...(22) HD2 LYS 95 - H LEU 98 far 0 100 0 - 5.6-7.9 HD3 LYS 95 - H LEU 98 far 0 99 0 - 6.0-8.1 HB2 LEU 69 - H LEU 98 far 0 89 0 - 9.1-9.5 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 4 assignments used, quality = 1.00: * HB3 LEU 98 + H LEU 98 OK 100 100 100 100 3.4-3.6 3168=83, 1.8/7363=69...(22) HG LEU 100 - H LEU 98 far 0 99 0 - 5.7-6.5 HB3 LEU 122 - H LEU 98 far 0 98 0 - 5.9-9.5 HB3 LEU 103 - H LEU 98 far 0 99 0 - 8.5-9.4 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 2.4-3.6 3176=100, 2.1/3192=64...(19) HB3 LEU 70 - H LEU 98 far 0 100 0 - 8.1-8.9 HB2 LEU 70 - H LEU 98 far 0 100 0 - 8.2-8.7 HG3 ARG 90 - H LEU 98 far 0 76 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 7366 from nnoeabs.peaks (0.86, 7.74, 119.22 ppm; 4.13 A): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 98 + H LEU 98 OK 100 100 100 100 3.3-4.2 3185/2.9=82, 2.1/3176=80...(20) QD2 LEU 98 + H LEU 98 OK 93 93 100 100 1.9-3.9 3192=90, 2.1/3176=80...(18) QD2 LEU 70 + H LEU 98 OK 73 99 75 98 4.5-5.1 11090/3.6=63...(13) 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 4 assignments used, quality = 1.00: * QD2 LEU 98 + H LEU 98 OK 100 100 100 100 1.9-3.9 3192=100, 2.1/3176=85...(18) QD1 LEU 98 + H LEU 98 OK 93 93 100 100 3.3-4.2 2.1/3176=85, 2.1/3192=80...(20) QD2 LEU 70 + H LEU 98 OK 75 83 95 95 4.5-5.1 11090/3.6=51...(13) QG1 VAL 118 - H LEU 98 far 0 76 0 - 6.5-7.2 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 3 assignments used, quality = 1.00: * H SER 99 + H LEU 98 OK 100 100 100 100 2.7-2.9 3.8=100 H LEU 96 + H LEU 98 OK 85 89 100 96 4.1-4.3 7330/3.9=53, 3.6/2961=44...(15) H VAL 126 - H LEU 98 far 0 100 0 - 8.7-9.4 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 4 assignments used, quality = 1.00: * H LEU 100 + H LEU 98 OK 99 100 100 99 3.9-4.4 3.4/7375=66, 7391/2.9=42...(18) H GLU 97 + H LEU 98 OK 95 95 100 100 2.4-2.6 3.9=100 H SER 9 - H LEU 98 far 0 100 0 - 8.6-42.5 H LEU 70 - H LEU 98 far 0 78 0 - 9.0-9.4 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 11 assignments used, quality = 1.00: * HA LYS 95 + H SER 99 OK 99 100 100 99 3.9-4.6 3158/3166=54...(15) HB3 SER 99 + H SER 99 OK 93 93 100 100 3.0-3.6 3.7=100 HB2 SER 38 + H GLU 40 OK 80 88 100 92 3.3-4.3 1.8/10921=50...(6) HA LEU 96 + H SER 99 OK 73 78 100 94 3.6-4.0 7388/3.4=30, 3.6/7385=30...(18) HA ILE 37 - H GLU 40 far 0 89 0 - 7.1-7.6 HA GLU 44 - H GLU 40 far 0 47 0 - 7.7-8.3 HD3 PRO 81 - H GLU 40 far 0 72 0 - 7.8-8.9 HA LEU 103 - H SER 99 far 0 100 0 - 7.8-8.9 HA LEU 119 - H SER 99 far 0 99 0 - 8.1-9.6 HA ALA 92 - H SER 99 far 0 63 0 - 8.6-9.3 HB2 SER 124 - H SER 99 far 0 73 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 7372 from nnoeabs.peaks (4.04, 8.29, 116.35 ppm; 4.29 A): 3 out of 11 assignments used, quality = 0.99: * HA LEU 96 + H SER 99 OK 96 100 100 96 3.6-4.0 7388/3.4=49, 3208/3.7=29...(18) HA LYS 95 + H SER 99 OK 73 78 100 94 3.9-4.6 3158/3166=40...(15) HB2 SER 38 + H GLU 40 OK 44 52 100 84 3.3-4.3 1.8/10921=47...(6) HA LEU 122 - H SER 99 far 5 99 5 - 4.6-5.9 HA ILE 37 - H GLU 40 far 0 66 0 - 7.1-7.6 HA GLU 102 - H SER 99 far 0 98 0 - 7.3-7.8 HA GLU 44 - H GLU 40 far 0 86 0 - 7.7-8.3 HD3 PRO 81 - H GLU 40 far 0 88 0 - 7.8-8.9 HA LEU 103 - H SER 99 far 0 71 0 - 7.8-8.9 HA LEU 119 - H SER 99 far 0 90 0 - 8.1-9.6 HA ALA 92 - H SER 99 far 0 99 0 - 8.6-9.3 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 3 assignments used, quality = 1.00: * H GLU 97 + H SER 99 OK 100 100 100 100 3.8-4.5 3.9/7375=67, 7350=53...(24) H LEU 100 + H SER 99 OK 95 95 100 100 2.4-2.8 3.4=100 H HIS 5 - H SER 99 far 0 60 0 - 9.2-53.9 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 5 assignments used, quality = 1.00: HB2 SER 99 + H SER 99 OK 100 100 100 100 2.1-3.2 3.7=100 * HA GLU 97 + H SER 99 OK 97 100 100 97 4.0-5.0 3.6/7375=68, 2.8/7385=36...(15) HA LEU 43 - H GLU 40 far 0 70 0 - 6.9-7.1 HA VAL 133 - H GLU 40 far 0 88 0 - 8.4-9.3 HA SER 130 - H GLU 40 far 0 68 0 - 8.7-9.3 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 2.7-2.9 3.8=98, 7363/3166=40...(20) H VAL 118 - H SER 99 far 0 85 0 - 8.6-9.3 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 3 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 - 7.1-7.4 HA ILE 80 - H GLU 40 far 0 70 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 7377 from nnoeabs.peaks (1.65, 8.29, 116.35 ppm; 4.17 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 98 + H SER 99 OK 100 100 100 100 2.3-3.5 3166=89, 7363/7375=57...(17) HD2 LYS 39 + H GLU 40 OK 26 54 50 95 2.4-5.2 3.6/1159=48, 3.6/6451=38...(13) HG LEU 43 - H GLU 40 far 8 85 10 - 4.3-5.3 HD2 LYS 95 - H SER 99 far 0 100 0 - 7.0-8.7 HD3 LYS 95 - H SER 99 far 0 99 0 - 7.4-8.2 HB2 LEU 123 - H SER 99 far 0 100 0 - 9.5-10.9 HB2 LEU 69 - H SER 99 far 0 89 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 7378 from nnoeabs.peaks (1.78, 8.29, 116.35 ppm; 3.96 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 98 + H SER 99 OK 100 100 100 100 3.0-4.2 1.8/3166=66, 4.6=63...(18) HB2 LYS 39 + H GLU 40 OK 57 59 100 96 2.9-4.0 4.7=62, 1.8/6451=49...(11) HB3 LEU 122 - H SER 99 far 5 98 5 - 3.9-7.5 HG LEU 100 - H SER 99 far 0 99 0 - 4.9-5.5 HB3 LEU 103 - H SER 99 far 0 99 0 - 6.8-7.4 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 2.3-5.1 2.1/3191=87, 3.0/3166=85...(14) HD3 LYS 39 + H GLU 40 OK 79 88 90 100 4.0-6.1 1.8/1203=78, 3.6/1159=72...(15) HB2 LEU 43 + H GLU 40 OK 54 72 75 100 4.4-6.3 1245/2.8=77, ~1246=56...(20) HB3 LEU 70 - H SER 99 far 0 100 0 - 9.2-10.5 HB2 LEU 70 - H SER 99 far 0 100 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 7380 from nnoeabs.peaks (0.86, 8.29, 116.35 ppm; 4.82 A increased from 4.53 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 98 + H SER 99 OK 100 100 100 100 3.3-4.8 3191=100, 3185/3.6=86...(16) QD2 LEU 98 + H SER 99 OK 93 93 100 100 3.9-4.7 2.1/3191=77, 3.1/3166=73...(19) QG1 VAL 133 + H GLU 40 OK 44 54 100 81 4.6-5.4 10578/3.6=37, 11754=26...(13) QD2 LEU 70 - H SER 99 far 0 99 0 - 5.5-6.4 QD2 LEU 69 - H GLU 40 far 0 86 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 7381 from nnoeabs.peaks (0.88, 8.29, 116.35 ppm; 4.99 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 98 + H SER 99 OK 100 100 100 100 3.9-4.7 2.1/3191=81, 3.1/3166=77...(19) QD1 LEU 98 + H SER 99 OK 93 93 100 100 3.3-4.8 3191=90, 3185/3.6=80...(16) QG1 VAL 118 + H SER 99 OK 75 76 100 99 4.2-5.0 11478/3.7=57, ~10271=56...(10) QD2 LEU 70 - H SER 99 far 12 83 15 - 5.5-6.4 QD2 LEU 69 - H GLU 40 far 0 86 0 - 9.7-10.4 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 4 assignments used, quality = 1.00: * HA SER 99 + H SER 99 OK 100 100 100 100 2.7-2.9 2.9=100 HB3 SER 38 + H GLU 40 OK 34 88 45 86 2.6-4.9 1134/6445=34, 10921=33...(7) HA SER 94 - H SER 99 far 0 92 0 - 6.5-7.5 HA HIS 67 - H SER 99 far 0 100 0 - 8.9-9.9 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 5 assignments used, quality = 1.00: * HB2 SER 99 + H SER 99 OK 100 100 100 100 2.1-3.2 3.7=100 HA GLU 97 + H SER 99 OK 97 100 100 97 4.0-5.0 3.6/7375=68, 2.8/7385=36...(15) HA LEU 43 - H GLU 40 far 0 63 0 - 6.9-7.1 HA VAL 133 - H GLU 40 far 0 85 0 - 8.4-9.3 HA SER 130 - H GLU 40 far 0 61 0 - 8.7-9.3 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 7 assignments used, quality = 1.00: * HB3 SER 99 + H SER 99 OK 100 100 100 100 3.0-3.6 3.7=100 HA LYS 95 + H SER 99 OK 90 93 100 96 3.9-4.6 3158/3166=44...(15) HB2 SER 38 + H GLU 40 OK 72 85 100 85 3.3-4.3 1.8/10921=42...(6) HA ILE 37 - H GLU 40 far 0 77 0 - 7.1-7.6 HA LEU 103 - H SER 99 far 0 97 0 - 7.8-8.9 HA LEU 119 - H SER 99 far 0 83 0 - 8.1-9.6 HB2 SER 124 - H SER 99 far 0 97 0 - 9.3-10.8 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 4 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 92 95 100 98 3.8-4.5 3.9/7375=50, 7350=36...(22) H LEU 70 - H SER 99 far 0 78 0 - 9.7-10.6 H ASP 47 - H GLU 40 far 0 45 0 - 10.0-10.5 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 4.4-4.7 7407=100, 7408/2.9=82...(20) H LYS 95 + H SER 99 OK 35 65 70 77 5.9-6.5 2.9/2960=36...(9) H CYS 45 - H GLU 40 far 0 85 0 - 7.9-8.2 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): 1 out of 7 assignments used, quality = 0.99: * HA LEU 96 + H LEU 100 OK 99 100 100 99 4.2-4.7 3061=48, 7372/3.4=32...(19) HA LEU 122 - H LEU 100 far 10 99 10 - 5.0-6.1 HA LYS 95 - H LEU 100 far 0 78 0 - 6.3-7.0 HA LEU 103 - H LEU 100 far 0 71 0 - 6.6-7.3 HA GLU 102 - H LEU 100 far 0 98 0 - 6.6-7.0 HA LEU 119 - H LEU 100 far 0 90 0 - 6.8-8.5 HB THR 65 - H LEU 100 far 0 73 0 - 9.8-10.3 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 3.1-3.8 3115/7397=71...(20) HB2 SER 99 + H LEU 100 OK 100 100 100 100 2.8-4.0 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): 1 out of 2 assignments used, quality = 1.00: * H LEU 98 + H LEU 100 OK 100 100 100 100 3.9-4.4 7375/3.4=100...(18) H VAL 118 - H LEU 100 far 0 85 0 - 8.6-9.4 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 4.1-4.8 3155/3.1=67, 9195=47...(17) HA GLN 101 + H LEU 100 OK 30 100 30 100 5.3-5.5 10048/7398=55...(13) HA GLN 104 - H LEU 100 far 0 89 0 - 8.7-9.0 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 4 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 0 89 0 - 6.0-6.5 H VAL 126 - H LEU 100 far 0 100 0 - 8.1-8.8 H LEU 69 - H LEU 100 far 0 99 0 - 9.4-9.9 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 3 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 0 100 0 - 6.9-7.5 HA SER 94 - H LEU 100 far 0 92 0 - 7.8-8.4 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 2.8-4.0 4.5=100 HA GLU 97 + H LEU 100 OK 100 100 100 100 3.1-3.8 3115/7397=71...(20) 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 5 assignments used, quality = 0.98: * HB3 SER 99 + H LEU 100 OK 98 100 100 98 3.1-4.3 3219=88, ~7408=26...(15) HA LYS 95 - H LEU 100 far 0 93 0 - 6.3-7.0 HA LEU 103 - H LEU 100 far 0 97 0 - 6.6-7.3 HA LEU 119 - H LEU 100 far 0 83 0 - 6.8-8.5 HB3 SER 106 - H LEU 100 far 0 65 0 - 9.5-10.9 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 5 assignments used, quality = 1.00: * HA LEU 100 + H LEU 100 OK 100 100 100 100 2.7-2.8 2.9=100 HB3 SER 107 - H LEU 100 far 0 100 0 - 8.3-11.1 HB2 SER 106 - H LEU 100 far 0 100 0 - 8.8-12.0 HB3 SER 94 - H LEU 100 far 0 97 0 - 9.2-10.0 HB3 SER 106 - H LEU 100 far 0 89 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 7397 from nnoeabs.peaks (1.82, 8.49, 120.88 ppm; 3.62 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 100 + H LEU 100 OK 100 100 100 100 2.1-2.3 3.9=78, 1.8/7398=69...(34) HB3 LEU 122 - H LEU 100 far 3 63 5 - 3.1-6.9 HB3 LEU 103 - H LEU 100 far 0 60 0 - 4.7-5.2 HB3 LEU 123 - H LEU 100 far 0 81 0 - 9.2-11.4 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 6 assignments used, quality = 1.00: * HB3 LEU 100 + H LEU 100 OK 100 100 100 100 3.5-3.6 3.9=88, 1.8/7397=78...(33) HG LEU 96 - H LEU 100 far 0 87 0 - 4.7-5.5 HB2 LEU 96 - H LEU 100 far 0 100 0 - 5.7-6.3 HG3 LYS 95 - H LEU 100 far 0 99 0 - 8.2-9.3 HG2 LYS 95 - H LEU 100 far 0 99 0 - 8.8-9.9 QB ALA 15 - H LEU 100 far 0 100 0 - 8.9-36.3 Violated in 0 structures by 0.00 A. Peak 7399 from nnoeabs.peaks (1.78, 8.49, 120.88 ppm; 3.54 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 100 + H LEU 100 OK 100 100 100 100 2.6-3.1 3249=56, 2.1/3257=54...(35) HB3 LEU 122 - H LEU 100 far 4 89 5 - 3.1-6.9 HB3 LEU 103 - H LEU 100 far 0 90 0 - 4.7-5.2 HB3 LEU 98 - H LEU 100 far 0 99 0 - 5.0-6.0 Violated in 0 structures by 0.00 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 3.9-4.2 3257=100, 2.1/7399=84...(26) QD2 LEU 62 - H LEU 100 far 0 100 0 - 8.9-9.6 Violated in 2 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 3.3-3.7 2.1/7399=85, 2.1/3257=75...(32) Violated in 0 structures by 0.00 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 2.7-3.0 3.1=100 H LYS 95 - H LEU 100 far 0 65 0 - 7.7-8.3 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 3.7-4.1 7444=100, 7445/2.9=88...(20) H GLN 68 - H LEU 100 far 0 95 0 - 9.7-10.3 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 3.9-4.5 3115/7411=80...(11) HB2 SER 99 + H GLN 101 OK 95 100 95 100 5.4-6.4 3.0/7408=76, 3.7/7407=71...(16) 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 3.5-4.1 3155=55, 3157/7418=46...(21) HA GLN 104 - H GLN 101 far 0 89 0 - 7.7-8.1 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 2 assignments used, quality = 1.00: * H SER 99 + H GLN 101 OK 100 100 100 100 4.4-4.7 3.6/3155=66, 2.9/7408=65...(20) H LEU 96 - H GLN 101 far 0 89 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. Peak 7408 from nnoeabs.peaks (4.22, 7.68, 119.11 ppm; 5.09 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 99 + H GLN 101 OK 100 100 100 100 4.6-5.0 7443/3.1=82, 2.9/7407=71...(10) HA HIS 67 - H GLN 101 far 0 100 0 - 6.7-7.5 HA SER 94 - H GLN 101 far 0 92 0 - 8.5-9.3 HA VAL 105 - H GLN 101 far 0 65 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 7409 from nnoeabs.peaks (8.49, 7.68, 119.11 ppm; 3.57 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 100 + H GLN 101 OK 100 100 100 100 2.7-3.0 3.1=100 H GLU 97 - H GLN 101 far 0 95 0 - 6.2-6.5 H LEU 70 - H GLN 101 far 0 78 0 - 8.9-9.7 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 4 assignments used, quality = 1.00: * HA LEU 100 + H GLN 101 OK 100 100 100 100 3.6-3.6 3.6=100 HB3 SER 107 - H GLN 101 far 0 100 0 - 8.5-11.0 HB2 SER 106 - H GLN 101 far 0 100 0 - 8.6-11.0 HB3 SER 106 - H GLN 101 far 0 89 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 7411 from nnoeabs.peaks (1.82, 7.68, 119.11 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 100 + H GLN 101 OK 100 100 100 100 2.4-2.6 1.8/7412=71, 4.6=66...(27) HB3 LEU 103 - H GLN 101 far 0 60 0 - 4.9-5.3 HB3 LEU 122 - H GLN 101 far 0 63 0 - 6.1-9.4 Violated in 0 structures by 0.00 A. Peak 7412 from nnoeabs.peaks (1.38, 7.68, 119.11 ppm; 4.22 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 100 + H GLN 101 OK 100 100 100 100 2.8-3.1 1.8/7411=81, 4.6=76...(30) HG LEU 96 - H GLN 101 far 0 87 0 - 6.5-7.4 HB2 LEU 96 - H GLN 101 far 0 100 0 - 8.3-8.9 QB ALA 15 - H GLN 101 far 0 100 0 - 8.5-34.8 QB ALA 16 - H GLN 101 far 0 71 0 - 9.0-38.4 HG3 LYS 95 - H GLN 101 far 0 99 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 7413 from nnoeabs.peaks (1.78, 7.68, 119.11 ppm; 4.75 A increased from 4.22 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 100 + H GLN 101 OK 100 100 100 100 4.6-4.7 7399/3.1=83, 2.1/3264=78...(25) HB3 LEU 103 + H GLN 101 OK 88 90 100 97 4.9-5.3 3.9/7424=53, ~10066=44...(14) HB3 LEU 98 - H GLN 101 far 0 99 0 - 5.5-6.0 HB3 LEU 122 - H GLN 101 far 0 89 0 - 6.1-9.4 Violated in 0 structures by 0.00 A. Peak 7414 from nnoeabs.peaks (0.68, 7.68, 119.11 ppm; 6.22 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 100 + H GLN 101 OK 100 100 100 100 4.4-4.6 3264=100, 3258/3.6=100...(28) 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 4.1-4.4 2.1/3264=79, 3.2/7411=75...(27) 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 3.5-4.1 3155=55, 3157/7418=46...(21) HA GLN 104 - H GLN 101 far 0 93 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 7417 from nnoeabs.peaks (2.21, 7.68, 119.11 ppm; 3.69 A increased from 3.28 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 101 + H GLN 101 OK 100 100 100 100 3.0-3.6 3286=100, 1.8/7418=83...(24) HB3 GLU 97 - H GLN 101 far 0 97 0 - 4.5-5.7 HB3 GLU 102 - H GLN 101 far 0 76 0 - 4.6-6.4 HB3 GLN 104 - H GLN 101 far 0 90 0 - 6.5-7.4 HB2 GLN 104 - H GLN 101 far 0 89 0 - 7.2-7.7 HB3 LEU 96 - H GLN 101 far 0 57 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 7418 from nnoeabs.peaks (2.30, 7.68, 119.11 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 101 + H GLN 101 OK 100 100 100 100 2.2-3.5 3296=71, 1.8/7417=60...(24) HG2 GLU 97 - H GLN 101 far 0 60 0 - 6.9-7.6 Violated in 1 structures by 0.01 A. Peak 7419 from nnoeabs.peaks (2.42, 7.68, 119.11 ppm; 4.17 A increased from 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 101 + H GLN 101 OK 100 100 100 100 1.9-4.1 3305=100, 1.8/3314=92...(24) HG3 GLU 97 - H GLN 101 far 0 100 0 - 6.2-7.4 Violated in 0 structures by 0.00 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 2.1-3.0 3314=100, 2.9/7418=59...(23) 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 2.7-2.8 3.1=100 H GLN 68 - H GLN 101 far 0 95 0 - 10.0-10.7 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 1 assignment used, quality = 0.99: * H LEU 103 + H GLN 101 OK 99 100 100 99 3.9-4.1 7463/3.6=69, 7464=50...(13) 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 1 assignment used, quality = 1.00: * H GLN 101 + HE21 GLN 101 OK 100 100 100 100 5.5-6.2 6.8=100 Violated in 0 structures by 0.00 A. Peak 7427 from nnoeabs.peaks (4.10, 6.79, 111.00 ppm; 4.68 A): 1 out of 2 assignments used, quality = 0.99: HA LEU 98 + HE21 GLN 101 OK 99 100 100 99 3.8-5.0 7435/1.7=80...(7) ! HA GLN 101 - HE21 GLN 101 far 0 100 0 - 6.0-6.6 Violated in 2 structures by 0.03 A. Peak 7428 from nnoeabs.peaks (2.21, 6.79, 111.00 ppm; 4.68 A increased from 4.41 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 101 + HE21 GLN 101 OK 100 100 100 100 4.1-4.6 4.5=100 HB3 GLU 102 - HE21 GLN 101 far 0 76 0 - 6.0-7.2 HB3 GLU 97 - HE21 GLN 101 far 0 97 0 - 6.2-8.7 Violated in 0 structures by 0.00 A. Peak 7429 from nnoeabs.peaks (2.30, 6.79, 111.00 ppm; 4.76 A increased from 4.48 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 101 + HE21 GLN 101 OK 100 100 100 100 3.4-5.1 4.5=100 HG2 GLU 97 - HE21 GLN 101 far 0 60 0 - 8.5-10.9 Violated in 2 structures by 0.02 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 0 100 0 - 7.4-9.4 Violated in 3 structures by 0.05 A. Peak 7431 from nnoeabs.peaks (2.56, 6.79, 111.00 ppm; 4.04 A increased from 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HE21 GLN 101 OK 100 100 100 100 3.4-3.9 3.5=100 Violated in 0 structures by 0.00 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 1 assignment used, quality = 1.00: * H GLN 101 + HE22 GLN 101 OK 100 100 100 100 4.5-5.7 6.8=100 Violated in 0 structures by 0.00 A. Peak 7435 from nnoeabs.peaks (4.10, 7.38, 111.00 ppm; 4.64 A increased from 4.36 A): 1 out of 2 assignments used, quality = 0.99: HA LEU 98 + HE22 GLN 101 OK 99 100 100 99 3.8-4.6 7427/1.7=78...(6) ! HA GLN 101 - HE22 GLN 101 far 5 100 5 - 4.6-5.9 Violated in 0 structures by 0.00 A. Peak 7436 from nnoeabs.peaks (2.21, 7.38, 111.00 ppm; 4.31 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 101 + HE22 GLN 101 OK 100 100 100 100 3.3-4.2 4.5=87, 2.9/7439=81...(6) HB3 GLU 102 - HE22 GLN 101 poor 15 76 20 - 4.5-5.7 HB3 GLU 97 - HE22 GLN 101 far 0 97 0 - 6.5-9.2 HB2 GLN 104 - HE22 GLN 101 far 0 89 0 - 9.9-10.7 HB3 GLN 104 - HE22 GLN 101 far 0 90 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 7437 from nnoeabs.peaks (2.30, 7.38, 111.00 ppm; 4.67 A increased from 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 101 + HE22 GLN 101 OK 100 100 100 100 2.0-4.6 4.5=100 HG2 GLU 97 - HE22 GLN 101 far 0 60 0 - 9.0-11.0 Violated in 0 structures by 0.00 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...(9) HG3 GLU 97 - HE22 GLN 101 far 0 100 0 - 7.8-10.2 Violated in 1 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 = 0.98: * HG3 GLN 101 + HE22 GLN 101 OK 98 100 100 98 2.1-3.2 3.5=81, 1.8/7438=67...(8) Violated in 0 structures by 0.00 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 3.4-3.5 3.5=100 * HA LEU 98 + H GLU 102 OK 88 100 95 93 4.4-5.2 3155/3.1=57...(7) HA GLN 104 - H GLU 102 far 0 89 0 - 7.1-7.4 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 3 assignments used, quality = 1.00: * HA SER 99 + H GLU 102 OK 100 100 100 100 3.4-3.7 3205=66, 3206/7455=49...(14) HA VAL 105 - H GLU 102 far 0 65 0 - 7.3-7.6 HA HIS 67 - H GLU 102 far 0 100 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 7444 from nnoeabs.peaks (8.49, 7.85, 118.36 ppm; 5.15 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 100 + H GLU 102 OK 100 100 100 100 3.7-4.1 2.9/7445=80, 7403=78...(20) H GLU 97 - H GLU 102 far 0 95 0 - 7.9-8.3 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 5 assignments used, quality = 0.99: * HA LEU 100 + H GLU 102 OK 99 100 100 99 3.9-4.3 7463/3.0=65, 2.9/7444=52...(18) HB2 SER 106 - H GLU 102 far 0 100 0 - 6.0-8.6 HB3 SER 106 - H GLU 102 far 0 89 0 - 6.7-7.8 HB3 SER 107 - H GLU 102 far 0 100 0 - 6.9-9.7 HD3 PRO 117 - H GLU 102 far 0 98 0 - 9.0-10.5 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 1 assignment used, quality = 1.00: * H GLN 101 + H GLU 102 OK 100 100 100 100 2.7-2.8 3.1=100 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 3.4-3.5 3.5=100 HA LEU 98 + H GLU 102 OK 88 100 95 93 4.4-5.2 3155/3.1=57...(7) HA GLN 104 - H GLU 102 far 0 93 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 7448 from nnoeabs.peaks (2.21, 7.85, 118.36 ppm; 3.72 A increased from 3.50 A): 2 out of 5 assignments used, quality = 0.99: * HB2 GLN 101 + H GLU 102 OK 95 100 95 100 3.8-4.4 1.8/7449=66, 7417/3.1=55...(17) HB3 GLU 102 + H GLU 102 OK 76 76 100 100 2.1-3.7 3.8=90, 1.8/7455=82...(18) HB3 GLN 104 - H GLU 102 far 0 90 0 - 6.8-7.3 HB3 GLU 97 - H GLU 102 far 0 97 0 - 6.9-8.3 HB2 GLN 104 - H GLU 102 far 0 89 0 - 7.2-7.5 Violated in 0 structures by 0.00 A. Peak 7449 from nnoeabs.peaks (2.30, 7.85, 118.36 ppm; 4.01 A increased from 3.56 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 101 + H GLU 102 OK 100 100 100 100 3.6-4.0 3304=98, 7418/3.1=70...(16) HG2 GLU 97 - H GLU 102 far 0 60 0 - 9.1-9.8 Violated in 1 structures by 0.00 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 2.8-3.9 1.8/7451=83, 3313=82...(17) HG3 GLU 97 - H GLU 102 far 0 100 0 - 8.0-9.5 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 1.9-2.7 3322=82, 1.8/7450=70...(20) 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 2.9-2.9 2.9=100 HA LEU 96 - H GLU 102 far 0 98 0 - 7.9-8.4 HA LEU 119 - H GLU 102 far 0 71 0 - 8.4-9.9 HA LEU 122 - H GLU 102 far 0 100 0 - 8.6-9.6 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 4 assignments used, quality = 0.99: * HB2 GLU 102 + H GLU 102 OK 99 100 100 99 2.6-3.4 3.8=69, 3.0/7458=48...(13) HB VAL 118 - H GLU 102 far 0 71 0 - 6.0-7.2 HG2 PRO 117 - H GLU 102 far 0 63 0 - 8.4-9.9 HB2 LEU 62 - H GLU 102 far 0 71 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 7456 from nnoeabs.peaks (2.23, 7.85, 118.36 ppm; 3.76 A increased from 3.54 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 102 + H GLU 102 OK 100 100 100 100 2.1-3.7 3.8=93, 1.8/7455=83...(17) HB2 GLN 101 + H GLU 102 OK 72 76 95 100 3.8-4.4 1.8/7449=67, 4.7=53...(17) HB3 GLN 104 - H GLU 102 far 0 99 0 - 6.8-7.3 HB3 GLU 97 - H GLU 102 far 0 95 0 - 6.9-8.3 Violated in 0 structures by 0.00 A. Peak 7457 from nnoeabs.peaks (2.36, 7.85, 118.36 ppm; 4.49 A increased from 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 102 + H GLU 102 OK 100 100 100 100 1.9-4.4 3348=100, 1.8/7458=94...(13) HG2 GLN 104 + H GLU 102 OK 57 76 100 75 4.3-4.9 11439/10065=35...(6) Violated in 0 structures by 0.00 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 2.1-3.8 3355=85, 3.0/7455=61...(12) Violated in 3 structures by 0.01 A. Peak 7459 from nnoeabs.peaks (8.08, 7.85, 118.36 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 103 + H GLU 102 OK 100 100 100 100 2.1-2.4 3.0=100 H ALA 108 - H GLU 102 far 0 100 0 - 8.5-10.2 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 4.2-4.9 7483=100, 7485/3.0=97...(12) H SER 106 + H GLU 102 OK 100 100 100 100 5.2-6.0 11781/2.9=94...(7) HD22 ASN 116 - H GLU 102 far 0 83 0 - 7.5-9.7 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 3 assignments used, quality = 1.00: * HA SER 99 + H LEU 103 OK 100 100 100 100 4.1-4.8 7443/3.0=95...(10) HA VAL 105 + H LEU 103 OK 26 65 40 98 6.3-6.7 ~10065=60, 3.0/7519=58...(7) HA HIS 67 - H LEU 103 far 0 100 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 7463 from nnoeabs.peaks (3.96, 8.08, 120.56 ppm; 4.30 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 100 + H LEU 103 OK 100 100 100 100 3.1-3.2 7445/3.0=59, 3228=51...(20) HB3 SER 107 - H LEU 103 poor 20 100 20 - 4.7-7.5 HB2 SER 106 - H LEU 103 far 5 100 5 - 4.9-7.3 HB3 SER 106 - H LEU 103 far 0 89 0 - 5.3-6.8 HD3 PRO 117 - H LEU 103 far 0 98 0 - 8.0-9.4 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 3.9-4.1 7424=100, 3.6/7463=92...(13) Violated in 0 structures by 0.00 A. Peak 7465 from nnoeabs.peaks (4.10, 8.08, 120.56 ppm; 4.83 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 101 + H LEU 103 OK 100 100 100 100 4.0-4.2 2.9/7424=66...(14) HA GLN 104 + H LEU 103 OK 92 93 100 98 5.2-5.4 3.0/7485=87, 3.6/7519=39...(9) HA LEU 98 - H LEU 103 far 0 100 0 - 6.3-7.3 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 2.1-2.4 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 - 7.0-8.3 HA LEU 96 - H LEU 103 far 0 98 0 - 8.4-9.0 HA LEU 122 - H LEU 103 far 0 100 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 7468 from nnoeabs.peaks (2.08, 8.08, 120.56 ppm; 4.60 A increased from 4.09 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 102 + H LEU 103 OK 100 100 100 100 2.9-4.4 4.6=100 HB VAL 118 - H LEU 103 poor 14 71 20 - 4.4-5.7 HB2 LEU 62 - H LEU 103 far 0 71 0 - 7.9-8.6 HG2 PRO 117 - H LEU 103 far 0 63 0 - 8.0-9.2 Violated in 0 structures by 0.00 A. Peak 7469 from nnoeabs.peaks (2.23, 8.08, 120.56 ppm; 4.20 A increased from 3.95 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 102 + H LEU 103 OK 100 100 100 100 3.3-4.2 3347=82, 3.0/7471=51...(18) HB3 GLN 104 - H LEU 103 far 0 99 0 - 5.3-5.7 HB2 GLN 101 - H LEU 103 far 0 76 0 - 5.4-5.8 HB3 GLU 97 - H LEU 103 far 0 95 0 - 8.4-9.5 Violated in 1 structures by 0.00 A. Peak 7470 from nnoeabs.peaks (2.36, 8.08, 120.56 ppm; 5.18 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 102 + H LEU 103 OK 100 100 100 100 3.0-5.0 3354=92, 1.8/7471=89...(14) HG2 GLN 104 + H LEU 103 OK 74 76 100 97 3.4-3.7 5.0/7485=65...(10) 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 2.7-4.3 7458/3.0=83, 3.0/7469=75...(15) Violated in 0 structures by 0.00 A. Peak 7472 from nnoeabs.peaks (4.02, 8.08, 120.56 ppm; 3.86 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 103 + H LEU 103 OK 100 100 100 100 2.8-2.9 3.0=100 HB3 SER 99 - H LEU 103 far 0 97 0 - 4.9-6.1 HA LEU 119 - H LEU 103 far 0 98 0 - 7.0-8.3 HA SER 60 - H LEU 103 far 0 99 0 - 7.7-8.9 HA LEU 96 - H LEU 103 far 0 71 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 7473 from nnoeabs.peaks (1.58, 8.08, 120.56 ppm; 3.66 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 103 + H LEU 103 OK 100 100 100 100 2.6-2.8 3.9=81, 1.8/7474=75...(30) HG LEU 103 - H LEU 103 far 0 81 0 - 4.3-4.5 HG LEU 122 - H LEU 103 far 0 65 0 - 5.8-7.5 Violated in 0 structures by 0.00 A. Peak 7474 from nnoeabs.peaks (1.79, 8.08, 120.56 ppm; 3.60 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 103 + H LEU 103 OK 100 100 100 100 2.3-2.5 3.9=77, 1.8/7473=71...(32) HB2 LEU 100 - H LEU 103 far 0 60 0 - 5.1-5.3 HG LEU 100 - H LEU 103 far 0 90 0 - 5.6-5.8 HB3 LEU 122 - H LEU 103 far 0 100 0 - 6.5-8.9 HB3 LEU 98 - H LEU 103 far 0 99 0 - 7.0-8.8 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 4.3-4.5 3.0/7474=69, 2.1/7477=65...(24) HB2 LEU 103 + H LEU 103 OK 81 81 100 100 2.6-2.8 3.9=100 HB2 LEU 119 - H LEU 103 far 0 97 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 7476 from nnoeabs.peaks (0.78, 8.08, 120.56 ppm; 4.27 A increased from 4.02 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 103 + H LEU 103 OK 100 100 100 100 4.0-4.2 3367/3.0=78, 3.2/7474=70...(26) QG1 VAL 63 + H LEU 103 OK 33 100 35 94 4.6-5.6 11810/4.6=36...(12) QD2 LEU 122 - H LEU 103 poor 18 100 25 71 3.9-5.6 11481/7462=23...(11) QD1 LEU 122 - H LEU 103 far 11 71 15 - 4.8-7.3 QD2 LEU 119 - H LEU 103 far 0 85 0 - 7.0-8.4 QD1 LEU 96 - H LEU 103 far 0 97 0 - 7.2-8.1 QD2 LEU 49 - H LEU 103 far 0 92 0 - 7.9-8.6 QD1 LEU 53 - H LEU 103 far 0 96 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 7477 from nnoeabs.peaks (0.74, 8.08, 120.56 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 103 + H LEU 103 OK 100 100 100 100 4.2-4.3 11415=82, 3.1/7474=74...(26) QD2 LEU 96 - H LEU 103 far 0 99 0 - 9.6-10.1 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 2.5-3.0 7485=100, 7488/7474=50...(16) H SER 106 + H LEU 103 OK 76 100 85 90 4.2-4.6 11781/3.6=48...(10) HD22 ASN 116 - H LEU 103 far 0 83 0 - 5.8-7.6 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 5 assignments used, quality = 0.98: * HA LEU 100 + H GLN 104 OK 95 100 100 95 3.6-4.0 7463/7485=53...(12) HB3 SER 107 + H GLN 104 OK 60 100 80 75 3.6-5.9 11853/11811=23...(12) HB2 SER 106 - H GLN 104 far 0 100 0 - 5.9-7.7 HB3 SER 106 - H GLN 104 far 0 89 0 - 6.1-7.8 HD3 PRO 117 - H GLN 104 far 0 98 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 7482 from nnoeabs.peaks (4.10, 7.90, 117.67 ppm; 3.90 A): 2 out of 3 assignments used, quality = 0.99: 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 86 100 90 96 3.8-4.6 3282=60, 3.5/7483=30...(14) HA LEU 98 - H GLN 104 far 0 100 0 - 8.4-9.1 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 1 assignment used, quality = 1.00: * H GLU 102 + H GLN 104 OK 100 100 100 100 4.2-4.9 3.0/7485=97...(12) Violated in 0 structures by 0.00 A. Peak 7484 from nnoeabs.peaks (4.05, 7.90, 117.67 ppm; 3.65 A): 0 out of 5 assignments used, quality = 0.00: ! HA GLU 102 - H GLN 104 far 0 100 0 - 4.5-5.4 HA LEU 119 - H GLN 104 far 0 71 0 - 7.6-8.9 HA LEU 122 - H GLN 104 far 0 100 0 - 9.7-10.8 HB THR 65 - H GLN 104 far 0 92 0 - 9.7-10.7 HA LEU 96 - H GLN 104 far 0 98 0 - 9.9-10.7 Violated in 20 structures by 1.45 A. Peak 7485 from nnoeabs.peaks (8.08, 7.90, 117.67 ppm; 3.58 A): 1 out of 3 assignments used, quality = 0.98: * H LEU 103 + H GLN 104 OK 98 100 100 98 2.5-3.0 7478=47, 7474/7488=44...(16) H ALA 108 - H GLN 104 far 0 100 0 - 5.5-7.2 H ALA 109 - H GLN 104 far 0 100 0 - 7.5-9.0 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 HA SER 60 - H GLN 104 far 0 99 0 - 5.2-6.3 HB3 SER 99 - H GLN 104 far 0 97 0 - 6.8-8.4 HA LEU 119 - H GLN 104 far 0 98 0 - 7.6-8.9 HA LEU 96 - H GLN 104 far 0 71 0 - 9.9-10.7 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 3.5-3.9 1.8/7488=79, 4.6=63...(24) HG LEU 103 + H GLN 104 OK 80 81 100 99 2.6-3.7 2.1/7491=65, 3.0/7488=62...(21) HG LEU 122 - H GLN 104 far 0 65 0 - 6.6-8.5 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 5 assignments used, quality = 0.99: * HB3 LEU 103 + H GLN 104 OK 99 100 100 99 1.9-2.5 3387=56, 7474/7485=52...(18) HB2 LEU 100 - H GLN 104 far 0 60 0 - 5.8-6.1 HG LEU 100 - H GLN 104 far 0 90 0 - 5.8-6.5 HB3 LEU 122 - H GLN 104 far 0 100 0 - 7.9-9.9 HB3 LEU 98 - H GLN 104 far 0 99 0 - 9.6-10.9 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 2.6-3.7 2.1/7491=78, 3.0/7488=73...(21) HB2 LEU 103 + H GLN 104 OK 81 81 100 100 3.5-3.9 1.8/7488=90, 4.6=84...(24) HB2 LEU 119 - H GLN 104 far 0 97 0 - 9.2-10.7 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 8 assignments used, quality = 1.00: QG1 VAL 63 + H GLN 104 OK 100 100 100 100 2.6-3.5 2.1/11811=57...(26) * QD1 LEU 103 + H GLN 104 OK 100 100 100 100 3.8-4.5 3367/3.6=59, 3.2/7488=59...(24) QD2 LEU 122 - H GLN 104 far 0 100 0 - 4.7-6.9 QD1 LEU 122 - H GLN 104 far 0 71 0 - 4.9-7.5 QD2 LEU 119 - H GLN 104 far 0 85 0 - 6.6-8.3 QD2 LEU 49 - H GLN 104 far 0 92 0 - 7.6-8.8 QD1 LEU 96 - H GLN 104 far 0 97 0 - 7.6-8.6 QD1 LEU 53 - H GLN 104 far 0 96 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 7491 from nnoeabs.peaks (0.74, 7.90, 117.67 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 103 + H GLN 104 OK 100 100 100 100 3.3-4.1 3.1/7488=65, 3368/3.6=56...(25) Violated in 1 structures by 0.00 A. Peak 7492 from nnoeabs.peaks (4.09, 7.90, 117.67 ppm; 3.48 A): 1 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 far 9 93 10 - 3.8-4.6 HA LEU 98 - H GLN 104 far 0 89 0 - 8.4-9.1 HB THR 65 - H GLN 104 far 0 76 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 7493 from nnoeabs.peaks (2.19, 7.90, 117.67 ppm; 3.73 A increased from 3.14 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 104 + H GLN 104 OK 100 100 100 100 3.5-3.6 3422=91, 1.8/3432=73...(17) HB2 GLN 101 - H GLN 104 far 0 89 0 - 5.8-6.7 HB3 GLU 97 - H GLN 104 far 0 65 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 7494 from nnoeabs.peaks (2.22, 7.90, 117.67 ppm; 3.36 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 104 + H GLN 104 OK 100 100 100 100 2.7-2.9 3432=72, 1.8/3422=57...(23) HB2 GLN 101 - H GLN 104 far 0 90 0 - 5.8-6.7 HB3 GLU 102 - H GLN 104 far 0 99 0 - 5.9-6.6 HB3 GLU 97 - H GLN 104 far 0 99 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 7495 from nnoeabs.peaks (2.38, 7.90, 117.67 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 104 + H GLN 104 OK 100 100 100 100 1.7-2.1 1.8/7496=76, 4103=74...(20) HG2 GLU 102 - H GLN 104 far 0 76 0 - 5.5-7.8 Violated in 0 structures by 0.00 A. Peak 7496 from nnoeabs.peaks (2.47, 7.90, 117.67 ppm; 3.61 A increased from 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 104 + H GLN 104 OK 100 100 100 100 2.6-3.6 3450=92, 1.8/7495=70...(17) Violated in 0 structures by 0.00 A. Peak 7499 from nnoeabs.peaks (7.62, 7.90, 117.67 ppm; 3.31 A): 1 out of 1 assignment used, quality = 0.96: * H VAL 105 + H GLN 104 OK 96 100 100 96 2.6-3.0 7533=48, 3478/10070=39...(10) 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): 1 out of 3 assignments used, quality = 1.00: * H GLN 104 + HE21 GLN 104 OK 100 100 100 100 2.9-5.5 7496/3.5=93, 7509/1.7=92...(17) H SER 106 - HE21 GLN 104 far 5 100 5 - 3.7-9.1 HD22 ASN 116 - HE21 GLN 104 far 0 83 0 - 8.8-12.8 Violated in 0 structures by 0.00 A. Peak 7502 from nnoeabs.peaks (4.09, 6.96, 111.83 ppm; 5.21 A increased from 4.17 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 104 + HE21 GLN 104 OK 100 100 100 100 4.7-5.7 3416/3.5=86, 5.5=83...(16) HA GLN 101 + HE21 GLN 104 OK 88 93 100 94 3.1-5.2 3282/7501=43...(8) HA LEU 98 - HE21 GLN 104 far 0 89 0 - 7.6-10.8 HB THR 65 - HE21 GLN 104 far 0 76 0 - 8.0-13.1 Violated in 0 structures by 0.00 A. Peak 7503 from nnoeabs.peaks (2.19, 6.96, 111.83 ppm; 5.04 A increased from 4.48 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 104 + HE21 GLN 104 OK 100 100 100 100 3.5-4.8 4.5=100 HB2 GLN 101 - HE21 GLN 104 far 4 89 5 - 4.5-7.1 HB3 GLU 97 - HE21 GLN 104 far 0 65 0 - 7.2-10.2 HB3 LEU 69 - HE21 GLN 104 far 0 73 0 - 8.8-13.8 HB2 GLN 68 - HE21 GLN 104 far 0 57 0 - 9.3-14.4 HB3 GLN 68 - HE21 GLN 104 far 0 97 0 - 9.7-15.7 Violated in 0 structures by 0.00 A. Peak 7504 from nnoeabs.peaks (2.22, 6.96, 111.83 ppm; 4.71 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLN 104 + HE21 GLN 104 OK 100 100 100 100 3.3-5.0 4.5=100 HB3 GLU 102 - HE21 GLN 104 far 5 99 5 - 5.3-11.0 HB2 GLN 101 - HE21 GLN 104 far 5 90 5 - 4.5-7.1 HB3 GLU 97 - HE21 GLN 104 far 0 99 0 - 7.2-10.2 HB2 GLN 68 - HE21 GLN 104 far 0 100 0 - 9.3-14.4 HG2 GLN 68 - HE21 GLN 104 far 0 98 0 - 9.5-15.1 Violated in 1 structures by 0.02 A. Peak 7505 from nnoeabs.peaks (2.38, 6.96, 111.83 ppm; 4.12 A increased from 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 104 + HE21 GLN 104 OK 100 100 100 100 3.5-4.0 3.5=100 HG2 GLU 102 - HE21 GLN 104 far 0 76 0 - 5.5-11.5 Violated in 0 structures by 0.00 A. Peak 7506 from nnoeabs.peaks (2.47, 6.96, 111.83 ppm; 4.26 A increased from 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 104 + HE21 GLN 104 OK 100 100 100 100 3.8-4.1 3.5=100 Violated in 0 structures by 0.00 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 LEU 62 - HE21 GLN 104 far 0 99 0 - 7.7-11.6 H GLN 61 - HE21 GLN 104 far 0 99 0 - 8.6-11.9 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): 1 out of 3 assignments used, quality = 1.00: * H GLN 104 + HE22 GLN 104 OK 100 100 100 100 1.5-4.4 7496/3.5=84, 7495/3.5=83...(18) H SER 106 - HE22 GLN 104 far 5 100 5 - 3.8-8.1 HD22 ASN 116 - HE22 GLN 104 far 0 83 0 - 7.7-11.4 Violated in 0 structures by 0.00 A. Peak 7510 from nnoeabs.peaks (4.09, 7.43, 111.83 ppm; 4.09 A increased from 3.85 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 104 + HE22 GLN 104 OK 100 100 100 100 3.0-4.1 3416/3.5=61, 3.0/7511=59...(16) HA GLN 101 + HE22 GLN 104 OK 24 93 30 86 3.5-5.4 3451/3.5=30...(8) HA LEU 98 - HE22 GLN 104 far 0 89 0 - 7.8-11.1 HB THR 65 - HE22 GLN 104 far 0 76 0 - 8.7-11.6 Violated in 0 structures by 0.00 A. Peak 7511 from nnoeabs.peaks (2.19, 7.43, 111.83 ppm; 4.16 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLN 104 + HE22 GLN 104 OK 100 100 100 100 2.1-4.0 4.5=76, 3.0/7510=50...(14) HB2 GLN 101 - HE22 GLN 104 far 0 89 0 - 5.5-7.5 HB3 GLU 97 - HE22 GLN 104 far 0 65 0 - 8.4-10.8 HB3 LEU 69 - HE22 GLN 104 far 0 73 0 - 9.7-12.7 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 4 assignments used, quality = 1.00: * HB3 GLN 104 + HE22 GLN 104 OK 100 100 100 100 1.8-3.9 4.5=85, 3.0/7510=53...(15) HB2 GLN 101 - HE22 GLN 104 far 0 90 0 - 5.5-7.5 HB3 GLU 102 - HE22 GLN 104 far 0 99 0 - 5.5-10.4 HB3 GLU 97 - HE22 GLN 104 far 0 99 0 - 8.4-10.8 Violated in 0 structures by 0.00 A. Peak 7513 from nnoeabs.peaks (2.38, 7.43, 111.83 ppm; 3.55 A increased from 3.34 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 104 + HE22 GLN 104 OK 100 100 100 100 2.3-3.4 3.5=100 HG2 GLU 102 - HE22 GLN 104 far 0 76 0 - 5.2-11.2 Violated in 0 structures by 0.00 A. Peak 7514 from nnoeabs.peaks (2.47, 7.43, 111.83 ppm; 3.68 A increased from 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 104 + HE22 GLN 104 OK 100 100 100 100 3.0-3.6 3.5=100 Violated in 0 structures by 0.00 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 96 100 100 96 3.9-5.2 3282/7499=70...(8) HA GLN 104 + H VAL 105 OK 93 93 100 100 3.2-3.6 3.6=100 HA LEU 98 - H VAL 105 far 0 100 0 - 9.2-9.6 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 = 0.99: * HA GLU 102 + H VAL 105 OK 99 100 100 99 3.5-4.1 10086/3478=81...(5) HA LEU 119 - H VAL 105 far 0 71 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 7519 from nnoeabs.peaks (8.08, 7.62, 114.95 ppm; 4.91 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 103 + H VAL 105 OK 100 100 100 100 3.5-4.0 7485/7499=83...(9) H ALA 108 + H VAL 105 OK 51 100 55 93 4.1-6.1 11454/3.0=57, ~10081=34...(7) H ALA 109 - H VAL 105 far 0 100 0 - 6.8-8.7 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 4 assignments used, quality = 0.99: * HA LEU 103 + H VAL 105 OK 99 100 100 99 3.6-4.6 3.6/7499=92, 3.0/7519=51...(6) HA SER 60 - H VAL 105 far 0 99 0 - 6.7-7.9 HB3 SER 99 - H VAL 105 far 0 97 0 - 8.3-9.5 HA LEU 119 - H VAL 105 far 0 98 0 - 9.6-10.8 Violated in 0 structures by 0.00 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 2.6-3.0 7499=100, 10070/3478=43...(10) H SER 106 + H VAL 105 OK 100 100 100 100 2.2-2.8 7535=100, 7539/3478=51...(11) HD22 ASN 116 - H VAL 105 far 0 83 0 - 6.7-8.3 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 3.2-3.6 3.6=100 HA GLN 101 + H VAL 105 OK 46 93 60 83 3.9-5.2 3282/7499=42...(8) HA LEU 98 - H VAL 105 far 0 89 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 7523 from nnoeabs.peaks (2.19, 7.62, 114.95 ppm; 4.24 A increased from 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 104 + H VAL 105 OK 100 100 100 100 3.3-4.2 4.4=91, 7493/7499=66...(7) HB2 GLN 101 - H VAL 105 far 0 89 0 - 5.2-6.8 Violated in 0 structures by 0.00 A. Peak 7524 from nnoeabs.peaks (2.22, 7.62, 114.95 ppm; 4.52 A increased from 3.81 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 104 + H VAL 105 OK 100 100 100 100 3.9-4.5 4.4=100 HB3 GLU 102 - H VAL 105 far 0 99 0 - 5.2-6.0 HB2 GLN 101 - H VAL 105 far 0 90 0 - 5.2-6.8 Violated in 0 structures by 0.00 A. Peak 7525 from nnoeabs.peaks (2.38, 7.62, 114.95 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 104 + H VAL 105 OK 100 100 100 100 2.1-3.9 5.0=87, 7495/7499=78...(12) HG2 GLU 102 - H VAL 105 far 11 76 15 - 5.2-7.5 Violated in 0 structures by 0.00 A. Peak 7526 from nnoeabs.peaks (2.47, 7.62, 114.95 ppm; 5.08 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 104 + H VAL 105 OK 100 100 100 100 2.3-4.8 5.0=100 Violated in 0 structures by 0.00 A. Peak 7529 from nnoeabs.peaks (4.19, 7.62, 114.95 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 105 + H VAL 105 OK 100 100 100 100 2.8-2.9 3.0=100 HA SER 99 - H VAL 105 far 0 65 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 7530 from nnoeabs.peaks (2.26, 7.62, 114.95 ppm; 3.84 A increased from 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 105 + H VAL 105 OK 100 100 100 100 3.6-3.8 3466=100, 2.1/3478=88...(9) Violated in 0 structures by 0.00 A. Peak 7531 from nnoeabs.peaks (0.96, 7.62, 114.95 ppm; 3.43 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 105 + H VAL 105 OK 100 100 100 100 2.0-2.9 3472=98, 2.1/3478=77...(11) QD1 LEU 119 - H VAL 105 far 0 87 0 - 8.7-9.9 QD2 LEU 53 - H VAL 105 far 0 99 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 7532 from nnoeabs.peaks (1.00, 7.62, 114.95 ppm; 3.09 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 105 + H VAL 105 OK 100 100 100 100 1.8-2.1 3478=100, 2.1/7531=54...(14) QG2 VAL 118 - H VAL 105 far 0 99 0 - 5.7-6.5 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 2.2-2.8 7535=100, 7539/3478=48...(11) H GLN 104 + H VAL 105 OK 100 100 100 100 2.6-3.0 7499=100, 10070/3478=40...(10) HD22 ASN 116 - H VAL 105 far 0 87 0 - 6.7-8.3 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 = 0.92: * H VAL 105 + H SER 106 OK 92 100 100 92 2.2-2.8 3478/7539=43, 7533=43...(11) Violated in 0 structures by 0.00 A. Peak 7536 from nnoeabs.peaks (4.19, 7.90, 116.86 ppm; 3.66 A increased from 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 105 + H SER 106 OK 100 100 100 100 3.5-3.6 3.6=100 HA SER 99 - H SER 106 far 0 65 0 - 7.4-8.8 Violated in 0 structures by 0.00 A. Peak 7537 from nnoeabs.peaks (2.26, 7.90, 116.86 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 105 + H SER 106 OK 100 100 100 100 3.3-3.7 3471=79, 2.1/7539=66...(12) Violated in 4 structures by 0.01 A. Peak 7538 from nnoeabs.peaks (0.96, 7.90, 116.86 ppm; 3.99 A increased from 3.76 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 105 + H SER 106 OK 100 100 100 100 3.7-3.9 2.1/7537=80, 2.1/7539=80...(17) QD1 LEU 119 - H SER 106 far 0 87 0 - 7.9-9.1 QD2 LEU 53 - H SER 106 far 0 99 0 - 9.8-11.7 Violated in 0 structures by 0.00 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 1.7-2.0 3483=78, 2.1/7537=69...(17) QG2 VAL 118 - H SER 106 far 0 99 0 - 4.8-5.4 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 1 assignment used, quality = 1.00: * HA SER 106 + H SER 106 OK 100 100 100 100 2.8-2.9 2.9=100 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 5 assignments used, quality = 0.99: * HB2 SER 106 + H SER 106 OK 95 100 100 95 2.6-3.7 4.0=60, 1.8/3494=35...(11) HB3 SER 106 + H SER 106 OK 90 96 100 94 2.7-3.7 4.0=60, 4.5/7543=32...(11) HB3 SER 107 - H SER 106 far 0 99 0 - 4.1-6.0 HA LEU 100 - H SER 106 far 0 100 0 - 7.1-7.5 HD3 PRO 117 - H SER 106 far 0 93 0 - 8.1-9.1 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 6 assignments used, quality = 0.99: * HB3 SER 106 + H SER 106 OK 94 100 100 94 2.7-3.7 4.0=60, 4.5/7543=32...(11) HB2 SER 106 + H SER 106 OK 90 96 100 95 2.6-3.7 4.0=60, 1.8/3494=35...(11) HB3 SER 107 - H SER 106 far 0 87 0 - 4.1-6.0 HA LEU 100 - H SER 106 far 0 89 0 - 7.1-7.5 HD3 PRO 117 - H SER 106 far 0 68 0 - 8.1-9.1 HB3 SER 99 - H SER 106 far 0 65 0 - 8.5-9.4 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 1 assignment used, quality = 0.96: * H SER 107 + H SER 106 OK 96 100 100 96 2.2-2.7 7545=89, 11448/7538=23...(7) 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 2.2-2.7 7543=100, 7538/11448=22...(7) HD22 ASN 116 - H SER 107 poor 11 87 60 21 3.1-5.5 10213/4.1=9...(6) H GLN 104 - H SER 107 far 0 100 0 - 4.4-4.9 H THR 115 - H SER 107 far 0 99 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 7546 from nnoeabs.peaks (4.46, 8.23, 117.55 ppm; 3.74 A increased from 3.15 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 106 + H SER 107 OK 100 100 100 100 3.2-3.6 3.6=100 HA PRO 58 - H SER 107 far 0 100 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 7547 from nnoeabs.peaks (3.97, 8.23, 117.55 ppm; 4.09 A): 3 out of 5 assignments used, quality = 1.00: HB3 SER 107 + H SER 107 OK 99 99 100 100 2.2-3.7 4.1=100 * HB2 SER 106 + H SER 107 OK 97 100 100 97 2.2-4.5 4.5=76, 4.0/7543=54...(10) HB3 SER 106 + H SER 107 OK 93 96 100 98 3.6-3.8 4.5=76, 4.0/7543=54...(13) HD3 PRO 117 - H SER 107 far 0 93 0 - 6.9-9.3 HA LEU 100 - H SER 107 far 0 100 0 - 7.0-8.1 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 6 assignments used, quality = 1.00: * HB3 SER 106 + H SER 107 OK 97 100 100 97 3.6-3.8 4.5=72, 4.0/7543=52...(13) HB2 SER 106 + H SER 107 OK 92 96 100 96 2.2-4.5 4.5=72, 4.0/7543=52...(10) HB3 SER 107 + H SER 107 OK 86 87 100 99 2.2-3.7 4.1=97, 1.8/3504=44...(7) HD3 PRO 117 - H SER 107 far 0 68 0 - 6.9-9.3 HA LEU 100 - H SER 107 far 0 89 0 - 7.0-8.1 HB3 SER 99 - H SER 107 far 0 65 0 - 8.0-10.5 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 2 assignments used, quality = 1.00: * HA SER 107 + H SER 107 OK 100 100 100 100 2.6-2.8 3.0=100 HA PRO 117 - H SER 107 far 0 81 0 - 10.0-12.2 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 6 assignments used, quality = 1.00: * HB2 SER 107 + H SER 107 OK 100 100 100 100 2.1-3.7 4.1=100 HB2 SER 60 - H SER 107 far 0 93 0 - 6.2-10.5 HB3 SER 60 - H SER 107 far 0 93 0 - 6.3-10.9 HD3 PRO 117 - H SER 107 far 0 57 0 - 6.9-9.3 HA2 GLY 111 - H SER 107 far 0 98 0 - 9.4-12.3 HA3 GLY 2 - H SER 107 far 0 60 0 - 9.7-61.5 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 6 assignments used, quality = 1.00: * HB3 SER 107 + H SER 107 OK 99 100 100 99 2.2-3.7 4.1=94, 7557/7552=53...(7) HB2 SER 106 + H SER 107 OK 95 99 100 96 2.2-4.5 4.5=70, 4.0/7543=51...(10) HB3 SER 106 + H SER 107 OK 84 87 100 97 3.6-3.8 4.5=70, 4.0/7543=51...(13) HD3 PRO 117 - H SER 107 far 0 99 0 - 6.9-9.3 HA LEU 100 - H SER 107 far 0 100 0 - 7.0-8.1 HA2 GLY 111 - H SER 107 far 0 60 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 7552 from nnoeabs.peaks (8.08, 8.23, 117.55 ppm; 3.65 A increased from 3.43 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 108 + H SER 107 OK 100 100 100 100 2.7-3.6 7554=96, 2.9/10101=42...(12) H LEU 103 - H SER 107 far 0 100 0 - 4.6-5.8 H ALA 109 - H SER 107 far 0 100 0 - 4.6-5.8 H ASN 120 - H SER 107 far 0 100 0 - 9.8-11.7 Violated in 0 structures by 0.00 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; 3.70 A increased from 3.29 A): 1 out of 1 assignment used, quality = 1.00: * H SER 107 + H ALA 108 OK 100 100 100 100 2.7-3.6 7552=100, 10101/2.9=43...(12) Violated in 0 structures by 0.00 A. Peak 7555 from nnoeabs.peaks (4.39, 8.08, 124.88 ppm; 3.61 A increased from 3.21 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 107 + H ALA 108 OK 100 100 100 100 3.2-3.6 3.6=100 HA HIS 5 - H ALA 108 far 0 76 0 - 9.2-57.3 Violated in 0 structures by 0.00 A. Peak 7556 from nnoeabs.peaks (3.92, 8.08, 124.88 ppm; 4.23 A): 1 out of 6 assignments used, quality = 0.98: * HB2 SER 107 + H ALA 108 OK 98 100 100 98 1.9-4.4 4.7=75, 4.1/7552=56...(14) HB2 SER 60 - H ALA 108 far 0 93 0 - 5.3-8.4 HB3 SER 60 - H ALA 108 far 0 93 0 - 5.7-8.8 HA2 GLY 111 - H ALA 108 far 0 98 0 - 7.9-10.2 HA3 GLY 111 - H ALA 108 far 0 76 0 - 8.9-10.7 HD3 PRO 117 - H ALA 108 far 0 57 0 - 9.1-10.2 Violated in 3 structures by 0.02 A. Peak 7557 from nnoeabs.peaks (3.96, 8.08, 124.88 ppm; 3.85 A): 1 out of 7 assignments used, quality = 0.93: * HB3 SER 107 + H ALA 108 OK 93 100 100 93 2.0-4.3 4.7=57, 4.1/7552=47...(13) HB2 SER 106 - H ALA 108 far 0 99 0 - 4.6-5.8 HB3 SER 106 - H ALA 108 far 0 87 0 - 4.7-6.2 HA2 GLY 111 - H ALA 108 far 0 60 0 - 7.9-10.2 HA LEU 100 - H ALA 108 far 0 100 0 - 8.6-10.7 HA3 GLY 111 - H ALA 108 far 0 92 0 - 8.9-10.7 HD3 PRO 117 - H ALA 108 far 0 99 0 - 9.1-10.2 Violated in 4 structures by 0.09 A. Peak 7558 from nnoeabs.peaks (4.28, 8.08, 124.88 ppm; 3.13 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 108 + H ALA 108 OK 100 100 100 100 2.3-2.8 3.0=100 HA ALA 109 - H ALA 108 far 0 100 0 - 5.2-5.5 HA ALA 110 - H ALA 108 far 0 99 0 - 6.0-7.3 HB THR 115 - H ALA 108 far 0 100 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 7559 from nnoeabs.peaks (1.38, 8.08, 124.88 ppm; 2.82 A increased from 2.66 A): 1 out of 3 assignments used, quality = 0.96: * QB ALA 108 + H ALA 108 OK 96 100 100 96 2.0-2.7 2.9=91, 10101/7552=19...(9) QB ALA 109 - H ALA 108 far 0 100 0 - 4.4-4.5 QB ALA 110 - H ALA 108 far 0 100 0 - 5.9-7.4 Violated in 0 structures by 0.00 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): 2 out of 5 assignments used, quality = 1.00: HA ALA 109 + H ALA 109 OK 100 100 100 100 2.6-2.9 3.0=100 * HA ALA 108 + H ALA 109 OK 100 100 100 100 2.7-3.5 3.6=100 HA ALA 110 - H ALA 109 poor 20 99 20 - 4.2-5.6 HB THR 115 - H ALA 109 far 0 100 0 - 7.5-9.6 HA GLN 61 - H ALA 109 far 0 100 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 7564 from nnoeabs.peaks (1.38, 8.08, 123.00 ppm; 3.50 A): 2 out of 3 assignments used, quality = 1.00: QB ALA 109 + H ALA 109 OK 100 100 100 100 2.1-2.5 2.9=100 * QB ALA 108 + H ALA 109 OK 93 100 100 93 2.7-3.7 3.7=87, 7559/4.6=37...(8) QB ALA 110 - H ALA 109 far 5 100 5 - 3.9-5.7 Violated in 0 structures by 0.00 A. Peak 7565 from nnoeabs.peaks (4.28, 8.08, 123.00 ppm; 3.71 A): 2 out of 5 assignments used, quality = 1.00: * HA ALA 109 + H ALA 109 OK 100 100 100 100 2.6-2.9 3.0=100 HA ALA 108 + H ALA 109 OK 100 100 100 100 2.7-3.5 3.6=100 HA ALA 110 - H ALA 109 poor 20 99 20 - 4.2-5.6 HB THR 115 - H ALA 109 far 0 100 0 - 7.5-9.6 HA GLN 61 - H ALA 109 far 0 100 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 7566 from nnoeabs.peaks (1.39, 8.08, 123.00 ppm; 3.50 A): 2 out of 3 assignments used, quality = 1.00: * QB ALA 109 + H ALA 109 OK 100 100 100 100 2.1-2.5 2.9=100 QB ALA 108 + H ALA 109 OK 93 100 100 93 2.7-3.7 3.7=87, 7559/4.6=37...(8) QB ALA 110 - H ALA 109 far 5 99 5 - 3.9-5.7 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 2 assignments used, quality = 1.00: * H ALA 110 + H ALA 109 OK 100 100 100 100 2.0-4.3 4.7=100 H GLY 111 + H ALA 109 OK 76 100 90 85 3.5-5.7 7578/2.9=47, ~10677=23...(12) 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; 3.02 A increased from 2.85 A): 2 out of 5 assignments used, quality = 1.00: HA ALA 110 + H ALA 110 OK 99 99 100 100 2.3-2.9 3.0=100 * HA ALA 109 + H ALA 110 OK 76 100 100 76 2.1-3.6 3.6=61, 2.1/7571=27...(8) HA ALA 108 - H ALA 110 lone 1 100 25 4 3.4-5.6 11966/11478=2, 2.1/3529=1 HB THR 115 - H ALA 110 far 0 100 0 - 7.6-9.8 HA GLN 61 - H ALA 110 far 0 100 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 7571 from nnoeabs.peaks (1.39, 8.30, 123.19 ppm; 3.06 A increased from 2.88 A): 2 out of 3 assignments used, quality = 1.00: QB ALA 110 + H ALA 110 OK 99 99 100 100 2.0-2.9 2.9=100 * QB ALA 109 + H ALA 110 OK 80 100 100 80 2.4-3.5 3.7=56, 2.1/7570=27...(10) QB ALA 108 - H ALA 110 far 0 100 0 - 4.4-5.6 Violated in 0 structures by 0.00 A. Peak 7572 from nnoeabs.peaks (4.28, 8.30, 123.19 ppm; 3.02 A increased from 2.85 A): 2 out of 5 assignments used, quality = 1.00: * HA ALA 110 + H ALA 110 OK 100 100 100 100 2.3-2.9 3.0=100 HA ALA 109 + H ALA 110 OK 75 99 100 76 2.1-3.6 3.6=61, 2.1/7571=27...(8) HA ALA 108 - H ALA 110 lone 1 99 25 4 3.4-5.6 11966/11478=1, 2.1/3529=1 HB THR 115 - H ALA 110 far 0 97 0 - 7.6-9.8 HA GLN 61 - H ALA 110 far 0 100 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 7573 from nnoeabs.peaks (1.38, 8.30, 123.19 ppm; 3.06 A increased from 2.88 A): 2 out of 3 assignments used, quality = 1.00: * QB ALA 110 + H ALA 110 OK 100 100 100 100 2.0-2.9 2.9=100 QB ALA 109 + H ALA 110 OK 79 99 100 80 2.4-3.5 3.7=56, 2.1/7570=27...(10) QB ALA 108 - H ALA 110 far 0 100 0 - 4.4-5.6 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 15 assignments used, quality = 0.62: * HA ALA 110 + H GLY 111 OK 48 100 80 60 2.5-3.5 3.6=39, 2.1/7578=17...(9) HA ALA 16 + H GLY 17 OK 28 54 95 55 2.1-3.6 3.6=39, 3.0/6127=20...(4) HA ALA 109 - H GLY 111 far 0 99 0 - 3.5-5.6 HA ALA 15 - H GLY 17 far 0 57 0 - 4.1-6.2 HA THR 18 - H GLY 17 far 0 54 0 - 4.3-5.4 HA LYS 19 - H GLY 17 far 0 45 0 - 5.4-8.4 HA SER 74 - H GLY 17 far 0 55 0 - 5.7-34.7 HA ALA 21 - H GLY 17 far 0 55 0 - 5.7-9.4 HA ALA 108 - H GLY 111 far 0 99 0 - 5.8-7.2 HB THR 115 - H GLY 111 far 0 97 0 - 6.3-8.8 HA PHE 87 - H GLY 17 far 0 42 0 - 7.2-40.8 HA GLN 61 - H GLY 111 far 0 100 0 - 8.3-11.0 HA ALA 12 - H GLY 17 far 0 57 0 - 8.4-16.0 HA LEU 22 - H GLY 17 far 0 46 0 - 8.7-12.6 HA ARG 23 - H GLY 17 far 0 57 0 - 9.1-14.2 Violated in 0 structures by 0.00 A. Peak 7578 from nnoeabs.peaks (1.38, 8.30, 108.05 ppm; 2.97 A): 2 out of 7 assignments used, quality = 0.85: QB ALA 109 + H GLY 111 OK 70 99 100 70 2.0-3.3 10136/7583=22...(9) * QB ALA 110 + H GLY 111 OK 50 100 60 83 2.8-3.7 3.7=51, 2.1/7577=44...(9) QB ALA 16 - H GLY 17 poor 19 38 65 77 2.0-3.7 3.7=51, 2.9/6127=28...(5) QB ALA 15 - H GLY 17 poor 14 57 25 - 2.3-5.8 HG2 LYS 19 - H GLY 17 far 4 43 10 - 2.2-6.6 QB ALA 12 - H GLY 17 far 0 36 0 - 5.4-13.6 QB ALA 108 - H GLY 111 far 0 100 0 - 6.4-7.2 Violated in 1 structures by 0.01 A. Peak 7579 from nnoeabs.peaks (3.93, 8.30, 108.05 ppm; 2.91 A): 4 out of 13 assignments used, quality = 1.00: * HA2 GLY 111 + H GLY 111 OK 98 100 100 98 2.3-2.7 3.0=95, 3.6/7583=30...(7) HA3 GLY 111 + H GLY 111 OK 91 93 100 97 2.8-3.0 3.0=95, 3.6/7583=30...(6) HA3 GLY 17 + H GLY 17 OK 25 26 100 97 2.3-2.9 3.0=96, 3.6/6136=18...(4) HA2 GLY 17 + H GLY 17 OK 25 26 100 97 2.3-3.0 3.0=96, 3.6/6136=18...(4) HB2 SER 107 - H GLY 111 far 0 98 0 - 4.8-8.7 HA2 GLY 14 - H GLY 17 far 0 49 0 - 5.4-9.3 HB3 SER 107 - H GLY 111 far 0 60 0 - 5.8-9.3 HB2 SER 60 - H GLY 111 far 0 76 0 - 5.8-9.1 HA3 GLY 14 - H GLY 17 far 0 50 0 - 5.9-9.5 HB3 SER 60 - H GLY 111 far 0 76 0 - 6.0-9.0 HD3 PRO 113 - H GLY 111 far 0 99 0 - 6.7-7.6 HB2 SER 94 - H GLY 17 far 0 27 0 - 7.4-39.7 HA3 GLY 75 - H GLY 17 far 0 29 0 - 8.4-31.9 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 11 assignments used, quality = 1.00: * HA3 GLY 111 + H GLY 111 OK 100 100 100 100 2.8-3.0 3.0=100 HA2 GLY 111 + H GLY 111 OK 93 93 100 100 2.3-2.7 3.0=100 HA3 GLY 17 + H GLY 17 OK 46 46 100 100 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 HB2 SER 107 - H GLY 111 far 0 76 0 - 4.8-8.7 HA2 GLY 14 - H GLY 17 far 0 30 0 - 5.4-9.3 HB3 SER 107 - H GLY 111 far 0 92 0 - 5.8-9.3 HA3 GLY 14 - H GLY 17 far 0 32 0 - 5.9-9.5 HD3 PRO 113 - H GLY 111 far 0 99 0 - 6.7-7.6 HB3 SER 94 - H GLY 17 far 0 30 0 - 7.9-41.5 HB2 SER 106 - H GLY 111 far 0 81 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 7581 from nnoeabs.peaks (7.93, 8.30, 108.05 ppm; 3.58 A increased from 3.37 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 112 + H GLY 111 OK 100 100 100 100 2.4-3.8 7583=100, 4.1/10121=37...(5) HD22 ASN 116 - H GLY 111 far 0 87 0 - 7.2-9.3 Violated in 1 structures by 0.01 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): 1 out of 2 assignments used, quality = 1.00: * H GLY 111 + H VAL 112 OK 100 100 100 100 2.4-3.8 7581=98, 10121/4.1=36...(5) H ALA 110 - H VAL 112 far 0 100 0 - 5.1-6.2 Violated in 1 structures by 0.01 A. Peak 7584 from nnoeabs.peaks (3.93, 7.93, 120.44 ppm; 3.03 A): 2 out of 8 assignments used, quality = 0.97: * HA2 GLY 111 + H VAL 112 OK 88 100 100 88 2.2-3.5 3.6=62, 3.0/7583=40...(6) HA3 GLY 111 + H VAL 112 OK 74 93 100 80 2.2-3.6 3.6=62, 3.0/7583=40 HD3 PRO 113 - H VAL 112 far 0 99 0 - 4.1-4.9 HB2 SER 107 - H VAL 112 far 0 98 0 - 6.0-9.4 HB3 SER 107 - H VAL 112 far 0 60 0 - 7.4-10.0 HB2 SER 60 - H VAL 112 far 0 76 0 - 7.5-10.5 HB3 SER 60 - H VAL 112 far 0 76 0 - 8.0-11.1 HD3 PRO 117 - H VAL 112 far 0 81 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 7585 from nnoeabs.peaks (3.94, 7.93, 120.44 ppm; 3.41 A): 2 out of 6 assignments used, quality = 1.00: * HA3 GLY 111 + H VAL 112 OK 95 100 100 95 2.2-3.6 3.6=88, 3.0/7583=51...(4) HA2 GLY 111 + H VAL 112 OK 90 93 100 97 2.2-3.5 3.6=88, 3.0/7583=51...(6) HD3 PRO 113 - H VAL 112 far 0 99 0 - 4.1-4.9 HB2 SER 107 - H VAL 112 far 0 76 0 - 6.0-9.4 HB3 SER 107 - H VAL 112 far 0 92 0 - 7.4-10.0 HD3 PRO 117 - H VAL 112 far 0 99 0 - 9.7-11.9 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 - 7.1-9.0 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 = 0.95: * HB VAL 112 + H VAL 112 OK 95 100 95 100 2.8-3.7 3551=92, 2.1/3556=69...(13) HB VAL 57 - H VAL 112 far 0 63 0 - 6.2-7.8 HB2 PRO 56 - H VAL 112 far 0 87 0 - 6.5-8.0 HB3 GLN 61 - H VAL 112 far 0 89 0 - 6.8-8.6 HB2 GLN 61 - H VAL 112 far 0 83 0 - 7.8-9.8 Violated in 1 structures by 0.03 A. Peak 7588 from nnoeabs.peaks (0.92, 7.93, 120.44 ppm; 2.94 A): 1 out of 6 assignments used, quality = 1.00: * QG2 VAL 112 + H VAL 112 OK 100 100 100 100 2.5-2.9 3556=100, 2.1/7587=56...(15) QD1 LEU 119 - H VAL 112 far 0 87 0 - 4.5-6.1 QD1 LEU 62 - H VAL 112 far 0 97 0 - 5.2-6.9 QG1 VAL 57 - H VAL 112 far 0 71 0 - 6.5-7.6 QG2 VAL 63 - H VAL 112 far 0 95 0 - 7.5-9.6 QG1 VAL 118 - H VAL 112 far 0 73 0 - 8.5-10.5 Violated in 0 structures by 0.00 A. Peak 7589 from nnoeabs.peaks (0.97, 7.93, 120.44 ppm; 4.23 A increased from 3.76 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 112 + H VAL 112 OK 100 100 100 100 3.9-4.0 4.0=100 QD1 LEU 119 - H VAL 112 poor 10 68 50 30 4.5-6.1 10194/11501=18...(5) QG1 VAL 57 - H VAL 112 far 0 85 0 - 6.5-7.6 QD2 LEU 53 - H VAL 112 far 0 100 0 - 7.1-9.0 Violated in 0 structures by 0.00 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 = 0.92: * HA PRO 113 + H GLY 114 OK 92 100 100 92 2.2-2.7 3593=75, 10150/2.9=19...(13) HA THR 115 - H GLY 114 far 0 60 0 - 5.1-5.8 HA PRO 117 - H GLY 114 far 0 100 0 - 7.6-8.8 HA SER 107 - H GLY 114 far 0 90 0 - 9.8-11.1 Violated in 4 structures by 0.02 A. Peak 7592 from nnoeabs.peaks (1.91, 8.57, 108.97 ppm; 4.36 A increased from 3.88 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PRO 113 + H GLY 114 OK 100 100 100 100 3.1-4.2 3.9=100 HG2 PRO 113 - H GLY 114 poor 16 78 20 - 4.5-5.8 HG LEU 53 - H GLY 114 far 0 68 0 - 8.0-10.3 HB3 LEU 123 - H GLY 114 far 0 62 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 7593 from nnoeabs.peaks (2.27, 8.57, 108.97 ppm; 4.04 A increased from 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 113 + H GLY 114 OK 100 100 100 100 1.9-3.9 3.9=100 Violated in 0 structures by 0.00 A. Peak 7594 from nnoeabs.peaks (1.93, 8.57, 108.97 ppm; 4.28 A increased from 4.03 A): 1 out of 3 assignments used, quality = 0.78: HB2 PRO 113 + H GLY 114 OK 78 78 100 100 3.1-4.2 3.9=100 ! HG2 PRO 113 - H GLY 114 poor 20 100 20 99 4.5-5.8 3.8/7591=74, 1.8/7595=55...(10) HG LEU 53 - H GLY 114 far 0 100 0 - 8.0-10.3 Violated in 0 structures by 0.00 A. Peak 7595 from nnoeabs.peaks (2.06, 8.57, 108.97 ppm; 5.16 A increased from 4.34 A): 1 out of 5 assignments used, quality = 1.00: * HG3 PRO 113 + H GLY 114 OK 100 100 100 100 3.7-5.0 3.8/7591=92, 3625=90...(10) HB VAL 57 - H GLY 114 far 0 60 0 - 8.4-10.0 HB2 LEU 62 - H GLY 114 far 0 100 0 - 8.8-10.0 HB3 GLU 55 - H GLY 114 far 0 85 0 - 8.9-10.8 HB VAL 118 - H GLY 114 far 0 100 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 7596 from nnoeabs.peaks (3.70, 8.57, 108.97 ppm; 5.59 A increased from 4.70 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + H GLY 114 OK 100 100 100 100 5.2-5.5 3.6/7591=99, 2.3/7595=85...(12) Violated in 0 structures by 0.00 A. Peak 7598 from nnoeabs.peaks (3.88, 8.57, 108.97 ppm; 2.95 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 114 + H GLY 114 OK 100 100 100 100 2.3-2.4 2.9=100 HD2 PRO 117 - H GLY 114 far 0 76 0 - 8.8-9.7 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 2.5-2.8 2.9=100 HA ALA 52 - H GLY 114 far 0 99 0 - 9.3-10.7 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 2 assignments used, quality = 1.00: * H THR 115 + H GLY 114 OK 100 100 100 100 2.8-3.4 7602=100, 7603/2.9=49...(17) HD22 ASN 116 - H GLY 114 far 0 96 0 - 7.7-9.6 Violated in 4 structures by 0.03 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 2.8-3.4 7600=100, 2.9/7603=49...(17) Violated in 4 structures by 0.03 A. Peak 7603 from nnoeabs.peaks (3.88, 7.90, 111.39 ppm; 3.44 A): 1 out of 3 assignments used, quality = 0.99: * HA2 GLY 114 + H THR 115 OK 99 100 100 99 2.5-3.3 3.6=89, 2.9/7600=57...(11) HD2 PRO 117 - H THR 115 far 0 76 0 - 6.6-7.4 HA3 GLY 2 - H THR 115 far 0 97 0 - 9.7-69.3 Violated in 0 structures by 0.00 A. Peak 7604 from nnoeabs.peaks (4.12, 7.90, 111.39 ppm; 3.68 A increased from 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 114 + H THR 115 OK 100 100 100 100 3.3-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7605 from nnoeabs.peaks (4.40, 7.90, 111.39 ppm; 3.28 A): 1 out of 6 assignments used, quality = 1.00: * HA THR 115 + H THR 115 OK 100 100 100 100 2.5-2.9 3.0=100 HA PRO 113 - H THR 115 far 0 60 0 - 4.0-4.7 HA VAL 112 - H THR 115 far 0 81 0 - 5.3-6.0 HA SER 107 - H THR 115 far 0 95 0 - 7.4-9.9 HA ASN 120 - H THR 115 far 0 73 0 - 8.5-9.5 HA THR 54 - H THR 115 far 0 76 0 - 9.5-11.3 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 3 assignments used, quality = 1.00: * HB THR 115 + H THR 115 OK 100 100 100 100 2.2-2.8 2.1/7607=78, 3639=76...(10) HA ALA 109 - H THR 115 far 0 100 0 - 7.4-10.1 HA ALA 110 - H THR 115 far 0 97 0 - 10.0-12.9 Violated in 0 structures by 0.00 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 2.2-3.4 3644=74, 2.1/7606=50...(15) HB3 LEU 62 - H THR 115 far 0 97 0 - 9.1-11.9 Violated in 1 structures by 0.01 A. Peak 7608 from nnoeabs.peaks (8.45, 7.90, 111.39 ppm; 2.98 A): 1 out of 1 assignment used, quality = 0.96: * H ASN 116 + H THR 115 OK 96 100 100 96 2.0-3.4 7610=55, 3638/3.0=39...(13) Violated in 4 structures by 0.03 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): 1 out of 3 assignments used, quality = 1.00: * H THR 115 + H ASN 116 OK 100 100 100 100 2.0-3.4 7608=100, 3.0/3638=58...(13) HD22 ASN 116 - H ASN 116 far 5 96 5 - 3.7-5.1 H SER 106 - H ASN 116 far 0 99 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 7611 from nnoeabs.peaks (4.40, 8.45, 123.09 ppm; 3.63 A increased from 3.41 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 115 + H ASN 116 OK 100 100 100 100 3.5-3.6 3.6=100 HA PRO 113 - H ASN 116 far 0 60 0 - 5.1-6.6 HA SER 107 - H ASN 116 far 0 95 0 - 5.9-7.6 HA VAL 112 - H ASN 116 far 0 81 0 - 6.3-7.3 HA ASN 120 - H ASN 116 far 0 73 0 - 8.1-8.5 Violated in 0 structures by 0.00 A. Peak 7612 from nnoeabs.peaks (4.27, 8.45, 123.09 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 115 + H ASN 116 OK 100 100 100 100 3.4-3.8 3643=81, 3636/3638=65...(11) HA ALA 109 - H ASN 116 far 0 100 0 - 6.9-8.5 Violated in 4 structures by 0.00 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 1.8-2.2 4.2=100 HB3 LEU 62 - H ASN 116 far 0 97 0 - 8.5-9.8 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 2.9-2.9 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 2.2-2.7 1.8/7616=70, 3655=60...(15) HB3 ASN 59 - H ASN 116 far 0 73 0 - 6.7-8.3 Violated in 0 structures by 0.00 A. Peak 7616 from nnoeabs.peaks (2.93, 8.45, 123.09 ppm; 3.41 A): 1 out of 1 assignment used, quality = 0.97: * HB3 ASN 116 + H ASN 116 OK 97 100 100 97 3.1-3.8 1.8/7615=72, 4.0=62...(11) Violated in 3 structures by 0.02 A. Peak 7618 from nnoeabs.peaks (7.92, 8.45, 123.09 ppm; 3.64 A): 1 out of 4 assignments used, quality = 0.95: H THR 115 + H ASN 116 OK 95 96 100 100 2.0-3.4 7608=93, 3.0/3638=58...(13) ! HD22 ASN 116 - H ASN 116 far 5 100 5 - 3.7-5.1 H VAL 112 - H ASN 116 far 0 87 0 - 6.0-7.6 H SER 106 - H ASN 116 far 0 87 0 - 9.6-11.4 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 4.3-6.0 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 4.4-5.3 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 3.4-3.8 3.5=100 HB3 ASN 59 - HD21 ASN 116 far 0 73 0 - 4.6-7.6 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 3.5-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 7624 from nnoeabs.peaks (7.92, 7.01, 113.21 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HD22 ASN 116 + HD21 ASN 116 OK 100 100 100 100 1.7-1.7 1.7=100 H SER 106 - HD21 ASN 116 far 0 87 0 - 4.7-7.7 H THR 115 - HD21 ASN 116 far 0 96 0 - 5.9-9.2 H GLN 104 - HD21 ASN 116 far 0 83 0 - 7.0-8.2 H VAL 112 - HD21 ASN 116 far 0 87 0 - 7.1-11.2 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 3.7-5.1 7615/3.5=91, 5.5=90...(9) 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 4.2-4.6 4.6=100 Violated in 0 structures by 0.00 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 2.1-2.9 3.5=100 HB3 ASN 59 - HD22 ASN 116 far 4 73 5 - 4.1-6.5 Violated in 0 structures by 0.00 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 2.2-3.1 3.5=100 Violated in 0 structures by 0.00 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 3.4-3.5 3.6=100 HA SER 107 - H VAL 118 far 0 81 0 - 5.6-8.1 HA PRO 113 - H VAL 118 far 0 100 0 - 9.0-11.3 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 3 assignments used, quality = 1.00: * HB2 PRO 117 + H VAL 118 OK 100 100 100 100 4.1-4.4 4.3=100 HG2 GLU 102 - H VAL 118 far 0 100 0 - 5.8-7.5 HG2 GLN 104 - H VAL 118 far 0 83 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 7634 from nnoeabs.peaks (2.01, 7.75, 118.27 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 117 + H VAL 118 OK 100 100 100 100 3.3-3.7 4.3=100 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 5 assignments used, quality = 1.00: HB VAL 118 + H VAL 118 OK 100 100 100 100 2.4-2.7 4.0=100 * HG2 PRO 117 + H VAL 118 OK 96 100 100 96 2.4-2.9 2.3/7638=51, 2.3/7637=49...(10) HG3 PRO 117 + H VAL 118 OK 94 100 100 94 3.9-4.3 2.3/7638=51, 2.3/7637=49...(9) HB2 GLU 102 - H VAL 118 far 0 63 0 - 5.4-8.8 HB2 LEU 62 - H VAL 118 far 0 100 0 - 8.5-9.3 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 4 assignments used, quality = 1.00: HB VAL 118 + H VAL 118 OK 99 99 100 100 2.4-2.7 4.0=100 HG2 PRO 117 + H VAL 118 OK 96 100 100 96 2.4-2.9 2.3/7638=51, 2.3/7637=49...(10) * HG3 PRO 117 + H VAL 118 OK 94 100 100 94 3.9-4.3 2.3/7638=51, 2.3/7637=49...(9) HB2 LEU 62 - H VAL 118 far 0 99 0 - 8.5-9.3 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 2 assignments used, quality = 1.00: * HD2 PRO 117 + H VAL 118 OK 100 100 100 100 3.8-3.9 3678=83, 1.8/7638=82...(11) HA2 GLY 114 - H VAL 118 far 0 76 0 - 7.1-7.8 Violated in 0 structures by 0.00 A. Peak 7638 from nnoeabs.peaks (3.95, 7.75, 118.27 ppm; 4.73 A): 1 out of 7 assignments used, quality = 1.00: * HD3 PRO 117 + H VAL 118 OK 100 100 100 100 2.6-2.8 1.8/7637=77...(14) HB2 SER 106 - H VAL 118 far 0 93 0 - 5.9-7.8 HB3 SER 106 - H VAL 118 far 0 68 0 - 6.0-8.0 HB2 SER 107 - H VAL 118 far 0 57 0 - 6.1-9.9 HB3 SER 107 - H VAL 118 far 0 99 0 - 6.2-8.9 HA LEU 100 - H VAL 118 far 0 98 0 - 7.8-8.7 HA2 GLY 111 - H VAL 118 far 0 81 0 - 10.0-13.4 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 5 assignments used, quality = 1.00: * HB VAL 118 + H VAL 118 OK 99 100 100 99 2.4-2.7 4.0=99 HG2 PRO 117 + H VAL 118 OK 96 100 100 96 2.4-2.9 2.3/7638=51, 2.3/7637=49...(10) HG3 PRO 117 + H VAL 118 OK 94 99 100 94 3.9-4.3 2.3/7638=51, 2.3/7637=49...(9) HB2 GLU 102 - H VAL 118 far 0 71 0 - 5.4-8.8 HB2 LEU 62 - H VAL 118 far 0 100 0 - 8.5-9.3 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 6 assignments used, quality = 1.00: * QG1 VAL 118 + H VAL 118 OK 100 100 100 100 3.7-3.8 3.9=96, 2.1/3748=88...(15) QD1 LEU 62 - H VAL 118 far 0 93 0 - 6.2-7.1 QG2 VAL 63 - H VAL 118 far 0 97 0 - 7.8-8.4 QD2 LEU 123 - H VAL 118 far 0 92 0 - 8.6-9.3 QG2 VAL 112 - H VAL 118 far 0 73 0 - 8.7-9.5 QD2 LEU 98 - H VAL 118 far 0 76 0 - 9.4-11.5 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 = 1.00: * QG2 VAL 118 + H VAL 118 OK 100 100 100 100 1.9-2.4 3748=100, 3749/2.8=59...(15) QG2 VAL 105 - H VAL 118 far 0 99 0 - 7.2-8.6 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 1 assignment used, quality = 1.00: * H LEU 119 + H VAL 118 OK 100 100 100 100 2.6-2.9 7646=99, 3753/3748=48...(15) 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 4.0-4.4 7660=81, 7662/7643=73...(14) H LEU 103 - H VAL 118 far 0 100 0 - 6.6-7.9 H ALA 109 - H VAL 118 far 0 99 0 - 8.9-10.2 H ALA 108 - H VAL 118 far 0 100 0 - 9.0-10.5 Violated in 0 structures by 0.00 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 2 assignments used, quality = 1.00: * H VAL 118 + H LEU 119 OK 100 100 100 100 2.6-2.9 7643=100, 3748/3753=48...(15) HD22 ASN 121 - H LEU 119 far 0 71 0 - 6.9-8.0 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): 1 out of 6 assignments used, quality = 1.00: * HB VAL 118 + H LEU 119 OK 100 100 100 100 2.4-2.6 3741=82, 2.1/3753=65...(12) HG2 PRO 117 - H LEU 119 far 0 100 0 - 5.2-5.4 HB2 LEU 62 - H LEU 119 far 0 100 0 - 6.2-6.9 HG3 PRO 117 - H LEU 119 far 0 99 0 - 6.5-6.7 HB2 GLU 102 - H LEU 119 far 0 71 0 - 6.6-10.0 HG3 PRO 113 - H LEU 119 far 0 100 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 7649 from nnoeabs.peaks (0.90, 7.54, 119.74 ppm; 4.28 A): 2 out of 6 assignments used, quality = 1.00: * QG1 VAL 118 + H LEU 119 OK 100 100 100 100 3.2-3.5 4.1=100 QD1 LEU 62 + H LEU 119 OK 69 93 100 73 4.0-4.8 10954/2.8=54...(8) QG2 VAL 63 - H LEU 119 far 0 97 0 - 6.8-7.2 QD2 LEU 123 - H LEU 119 far 0 92 0 - 6.9-7.6 QG2 VAL 112 - H LEU 119 far 0 73 0 - 8.1-8.8 QD1 LEU 123 - H LEU 119 far 0 63 0 - 8.4-9.2 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 2 assignments used, quality = 1.00: * QG2 VAL 118 + H LEU 119 OK 100 100 100 100 3.7-4.0 3753=100, 2.1/7648=77...(11) QG2 VAL 105 - H LEU 119 far 0 99 0 - 8.0-9.3 Violated in 0 structures by 0.00 A. Peak 7651 from nnoeabs.peaks (4.03, 7.54, 119.74 ppm; 4.06 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 119 + H LEU 119 OK 100 100 100 100 2.7-2.7 2.8=100 HA LEU 103 - H LEU 119 far 0 98 0 - 5.3-6.3 HB3 SER 99 - H LEU 119 far 0 83 0 - 5.6-6.9 HA LEU 122 - H LEU 119 far 0 73 0 - 7.8-8.1 HA GLU 102 - H LEU 119 far 0 71 0 - 8.9-10.3 HB3 SER 124 - H LEU 119 far 0 100 0 - 8.9-9.9 HA SER 60 - H LEU 119 far 0 90 0 - 9.3-10.8 HA LEU 96 - H LEU 119 far 0 90 0 - 9.5-9.9 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 3.6-3.6 3.9=100 HG LEU 103 - H LEU 119 far 0 97 0 - 6.0-6.7 HB2 LEU 53 - H LEU 119 far 0 73 0 - 6.6-9.1 HG LEU 123 - H LEU 119 far 0 78 0 - 9.0-9.7 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 2.6-2.8 3.9=97, 2.9/7654=65...(19) HB3 LEU 123 - H LEU 119 far 0 99 0 - 7.0-8.3 Violated in 0 structures by 0.00 A. Peak 7654 from nnoeabs.peaks (1.62, 7.54, 119.74 ppm; 3.59 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 119 + H LEU 119 OK 100 100 100 100 1.8-2.2 3781=73, 2.1/3797=55...(23) HG LEU 122 - H LEU 119 far 0 89 0 - 5.0-7.5 HB2 LEU 123 - H LEU 119 far 0 63 0 - 6.8-7.6 HG LEU 62 - H LEU 119 far 0 68 0 - 6.9-7.9 HB2 LEU 122 - H LEU 119 far 0 95 0 - 7.4-8.0 Violated in 0 structures by 0.00 A. Peak 7655 from nnoeabs.peaks (0.80, 7.54, 119.74 ppm; 3.75 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 119 + H LEU 119 OK 100 100 100 100 3.5-3.8 2.1/7654=73, 3790/2.8=70...(15) QD1 LEU 103 + H LEU 119 OK 80 85 100 94 3.0-3.7 10265/3753=39...(13) QD2 LEU 122 - H LEU 119 far 14 93 15 - 4.2-6.8 QD1 LEU 122 - H LEU 119 far 0 99 0 - 5.5-7.3 QD1 LEU 53 - H LEU 119 far 0 99 0 - 6.0-7.1 QD2 LEU 49 - H LEU 119 far 0 100 0 - 7.7-8.1 QD1 LEU 96 - H LEU 119 far 0 60 0 - 8.5-9.4 QG1 VAL 63 - H LEU 119 far 0 87 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 7656 from nnoeabs.peaks (0.94, 7.54, 119.74 ppm; 4.11 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 119 + H LEU 119 OK 100 100 100 100 2.2-2.9 3797=100, 2.1/7654=83...(14) QD1 LEU 62 + H LEU 119 OK 43 63 95 71 4.0-4.8 10954/2.8=27...(8) QD2 LEU 53 - H LEU 119 poor 17 71 30 80 4.5-5.3 11845/2.8=43...(11) QG1 VAL 112 - H LEU 119 far 0 68 0 - 7.3-8.6 QG2 VAL 112 - H LEU 119 far 0 87 0 - 8.1-8.8 QD1 LEU 123 - H LEU 119 far 0 93 0 - 8.4-9.2 QG2 VAL 126 - H LEU 119 far 0 78 0 - 8.7-9.2 QG1 VAL 57 - H LEU 119 far 0 99 0 - 9.9-10.9 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 2.8-3.0 7662=100, 7665/7653=42...(15) H LEU 103 - H LEU 119 far 0 100 0 - 6.8-8.0 H ALA 109 - H LEU 119 far 0 99 0 - 8.3-9.8 H ALA 108 - H LEU 119 far 0 100 0 - 8.8-10.3 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 3.9-4.1 7690=100, 7689/3.5=97...(13) 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): 1 out of 3 assignments used, quality = 1.00: * H VAL 118 + H ASN 120 OK 100 100 100 100 4.0-4.4 7644=100, 7643/7662=81...(15) HD22 ASN 121 - H ASN 120 far 0 71 0 - 6.3-7.6 H GLU 55 - H ASN 120 far 0 100 0 - 9.7-10.8 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 1 assignment used, quality = 1.00: * HA VAL 118 + H ASN 120 OK 100 100 100 100 4.0-4.5 3.5/7662=91, 2.8/7644=86...(11) 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 2 assignments used, quality = 1.00: * H LEU 119 + H ASN 120 OK 100 100 100 100 2.8-3.0 7657=91, 7653/7665=39...(15) H THR 54 - H ASN 120 far 0 99 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 7663 from nnoeabs.peaks (4.03, 8.08, 117.66 ppm; 4.46 A): 1 out of 7 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 99 - H ASN 120 far 0 83 0 - 6.1-7.2 HB3 SER 124 - H ASN 120 far 0 100 0 - 6.4-7.3 HA LEU 122 - H ASN 120 far 0 73 0 - 7.2-7.3 HA LEU 103 - H ASN 120 far 0 98 0 - 8.0-9.0 HA SER 50 - H ASN 120 far 0 60 0 - 8.9-9.7 HA LEU 96 - H ASN 120 far 0 90 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 7664 from nnoeabs.peaks (1.54, 8.08, 117.66 ppm; 4.16 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 119 + H ASN 120 OK 100 100 100 100 3.6-3.9 1.8/7665=83, 4.6=73...(14) HB2 LEU 53 - H ASN 120 far 0 73 0 - 5.4-7.5 HG LEU 123 - H ASN 120 far 0 78 0 - 6.6-7.2 HG LEU 103 - H ASN 120 far 0 97 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 7665 from nnoeabs.peaks (1.87, 8.08, 117.66 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + H ASN 120 OK 100 100 100 100 2.3-2.7 1.8/7664=68, 4.6=60...(13) HB3 LEU 123 - H ASN 120 far 0 99 0 - 5.4-6.6 Violated in 0 structures by 0.00 A. Peak 7666 from nnoeabs.peaks (1.62, 8.08, 117.66 ppm; 4.46 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 119 + H ASN 120 OK 100 100 100 100 4.2-4.4 2.9/7665=74...(16) HB2 LEU 123 + H ASN 120 OK 34 63 55 100 4.6-5.3 ~3927=46, 3813/2.9=45...(17) HG LEU 122 - H ASN 120 far 4 89 5 - 4.8-8.0 HB2 LEU 122 - H ASN 120 far 0 95 0 - 7.2-7.7 HG LEU 62 - H ASN 120 far 0 68 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 7667 from nnoeabs.peaks (0.80, 8.08, 117.66 ppm; 5.04 A increased from 4.25 A): 3 out of 7 assignments used, quality = 1.00: * QD2 LEU 119 + H ASN 120 OK 100 100 100 100 4.8-5.0 3790/3.6=88, 3.1/7665=84...(14) QD1 LEU 103 + H ASN 120 OK 46 85 60 91 5.3-5.9 11548/10298=43...(8) QD1 LEU 53 + H ASN 120 OK 27 99 30 91 5.3-6.2 11629/2.9=75...(8) QD2 LEU 122 - H ASN 120 poor 19 93 20 - 4.8-6.9 QD1 LEU 122 - H ASN 120 far 5 99 5 - 5.6-7.5 QD2 LEU 49 - H ASN 120 far 0 100 0 - 7.6-8.1 QD1 LEU 96 - H ASN 120 far 0 60 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 7668 from nnoeabs.peaks (0.94, 8.08, 117.66 ppm; 4.17 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 119 + H ASN 120 OK 100 100 100 100 3.5-3.9 3804=66, 3.0/7665=65...(14) QD2 LEU 53 + H ASN 120 OK 50 71 90 79 3.5-4.9 11845/3.6=37, ~11629=34...(8) QD1 LEU 62 - H ASN 120 far 3 63 5 - 4.7-5.5 QD1 LEU 123 - H ASN 120 far 0 93 0 - 6.8-7.3 QG2 VAL 126 - H ASN 120 far 0 78 0 - 8.2-8.8 QG1 VAL 112 - H ASN 120 far 0 68 0 - 8.6-9.7 QG1 VAL 126 - H ASN 120 far 0 92 0 - 9.7-10.1 QG2 VAL 112 - H ASN 120 far 0 87 0 - 9.7-10.4 Violated in 0 structures by 0.00 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 115 - H ASN 120 far 0 73 0 - 7.8-8.9 HA HIS 5 - H ASN 120 far 0 93 0 - 8.3-58.0 HA THR 54 - H ASN 120 far 0 100 0 - 8.4-10.3 Violated in 0 structures by 0.00 A. Peak 7670 from nnoeabs.peaks (2.80, 8.08, 117.66 ppm; 3.43 A): 2 out of 3 assignments used, quality = 1.00: HB3 ASN 120 + H ASN 120 OK 98 100 100 98 2.1-2.2 3.8=73, 11561/11562=35...(17) * HB2 ASN 120 + H ASN 120 OK 93 100 100 93 3.4-3.5 3.8=73, 3.5/7677=33...(10) HB2 ASN 121 - H ASN 120 far 0 100 0 - 4.1-5.8 Violated in 0 structures by 0.00 A. Peak 7671 from nnoeabs.peaks (2.80, 8.08, 117.66 ppm; 3.43 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASN 120 + H ASN 120 OK 98 100 100 98 2.1-2.2 3.8=73, 11561/11562=35...(17) HB2 ASN 120 + H ASN 120 OK 93 100 100 93 3.4-3.5 3.8=73, 3.5/7677=33...(10) HB2 ASN 121 - H ASN 120 far 0 100 0 - 4.1-5.8 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 2.9-4.3 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 2.3-4.5 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 2.3-2.5 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 1 assignment used, quality = 0.98: * H LEU 122 + H ASN 120 OK 98 100 100 98 4.5-4.7 3762/3.6=55, 7720=48...(15) Violated in 0 structures by 0.00 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 = 0.99: * H ASN 120 + HD21 ASN 120 OK 99 100 100 99 2.9-4.3 2.9/3809=71, 7683/1.7=65...(7) 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 3 assignments used, quality = 1.00: * HA ASN 120 + HD21 ASN 120 OK 100 100 100 100 3.7-4.2 3809=100, 2.9/7677=58...(7) HA THR 54 - HD21 ASN 120 far 0 100 0 - 5.7-12.3 HA THR 115 - HD21 ASN 120 far 0 73 0 - 6.5-10.1 Violated in 0 structures by 0.00 A. Peak 7679 from nnoeabs.peaks (2.80, 7.60, 111.74 ppm; 3.79 A increased from 3.57 A): 2 out of 3 assignments used, quality = 1.00: HB3 ASN 120 + HD21 ASN 120 OK 100 100 100 100 2.4-3.6 3.5=100 * HB2 ASN 120 + HD21 ASN 120 OK 100 100 100 100 3.5-4.1 3.5=100 HB2 ASN 121 - HD21 ASN 120 far 5 100 5 - 3.4-9.5 Violated in 0 structures by 0.00 A. Peak 7680 from nnoeabs.peaks (2.80, 7.60, 111.74 ppm; 3.79 A increased from 3.57 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASN 120 + HD21 ASN 120 OK 100 100 100 100 2.4-3.6 3.5=100 HB2 ASN 120 + HD21 ASN 120 OK 100 100 100 100 3.5-4.1 3.5=100 HB2 ASN 121 - HD21 ASN 120 far 5 100 5 - 3.4-9.5 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 2.3-4.5 7677/1.7=92, 5.3=90...(8) 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 2.8-4.9 4.4=100 HA THR 115 - HD22 ASN 120 far 0 73 0 - 6.5-11.4 HA THR 54 - HD22 ASN 120 far 0 100 0 - 6.6-13.1 HA HIS 5 - HD22 ASN 120 far 0 93 0 - 9.3-59.7 Violated in 1 structures by 0.01 A. Peak 7685 from nnoeabs.peaks (2.80, 6.77, 111.74 ppm; 3.94 A): 2 out of 3 assignments used, quality = 1.00: HB3 ASN 120 + HD22 ASN 120 OK 100 100 100 100 2.2-3.5 3.5=100 * HB2 ASN 120 + HD22 ASN 120 OK 100 100 100 100 3.4-4.1 3.5=100 HB2 ASN 121 - HD22 ASN 120 far 5 100 5 - 4.1-8.1 Violated in 0 structures by 0.00 A. Peak 7686 from nnoeabs.peaks (2.80, 6.77, 111.74 ppm; 3.94 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASN 120 + HD22 ASN 120 OK 100 100 100 100 2.2-3.5 3.5=100 HB2 ASN 120 + HD22 ASN 120 OK 100 100 100 100 3.4-4.1 3.5=100 HB2 ASN 121 - HD22 ASN 120 far 5 100 5 - 4.1-8.1 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 2.9-3.2 3733=70, 3735/7700=60...(19) 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 1 assignment used, quality = 1.00: * H LEU 119 + H ASN 121 OK 100 100 100 100 3.9-4.1 3.5/7689=82, 7662/4.1=82...(13) Violated in 0 structures by 0.00 A. Peak 7691 from nnoeabs.peaks (4.03, 8.12, 119.98 ppm; 4.43 A increased from 4.17 A): 2 out of 8 assignments used, quality = 0.97: * HA LEU 119 + H ASN 121 OK 96 100 100 96 4.1-4.5 2.8/7690=48, 4.9/7689=45...(13) HB3 SER 99 + H ASN 121 OK 26 83 45 69 4.3-5.3 11475/10322=35...(9) HB3 SER 124 - H ASN 121 far 0 100 0 - 5.3-6.1 HA LEU 122 - H ASN 121 far 0 73 0 - 5.3-5.5 HA LEU 96 - H ASN 121 far 0 90 0 - 7.1-7.6 HA LEU 103 - H ASN 121 far 0 98 0 - 8.1-8.8 HA SER 50 - H ASN 121 far 0 60 0 - 9.0-10.1 HA LYS 95 - H ASN 121 far 0 99 0 - 9.6-10.3 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 2 assignments used, quality = 1.00: * H ASN 120 + H ASN 121 OK 100 100 100 100 2.3-2.5 4.1=100 H LEU 103 - H ASN 121 far 0 100 0 - 8.3-9.3 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 4 assignments used, quality = 1.00: * HA ASN 120 + H ASN 121 OK 100 100 100 100 3.5-3.5 3.6=100 HA HIS 5 - H ASN 121 far 0 93 0 - 7.1-57.5 HA THR 115 - H ASN 121 far 0 73 0 - 9.9-10.9 HA THR 54 - H ASN 121 far 0 100 0 - 10.0-12.0 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 2.1-3.4 3.8=83, 1.8/7700=81...(15) HB3 ASN 120 + H ASN 121 OK 94 100 100 94 3.0-3.4 4.4=52, 7671/4.1=21...(16) * HB2 ASN 120 + H ASN 121 OK 84 100 95 88 3.5-4.3 4.4=52, 3831/2.9=25...(10) 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 2.1-3.4 3.8=83, 1.8/7700=81...(15) * HB3 ASN 120 + H ASN 121 OK 94 100 100 94 3.0-3.4 4.4=52, 7671/4.1=21...(16) HB2 ASN 120 + H ASN 121 OK 84 100 95 88 3.5-4.3 4.4=52, 3831/2.9=25...(10) 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 2.3-6.1 3809/3.6=93, 7677/4.1=84...(8) 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 3.5-4.8 1.7/7696=95, 7683/4.1=87...(8) 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 1 assignment used, quality = 1.00: * HA ASN 121 + H ASN 121 OK 100 100 100 100 2.8-2.8 2.9=100 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 2.1-3.4 3.8=83, 1.8/7700=81...(15) HB3 ASN 120 + H ASN 121 OK 94 100 100 94 3.0-3.4 4.4=52, 7671/4.1=21...(15) HB2 ASN 120 + H ASN 121 OK 84 100 95 88 3.5-4.3 4.4=52, 3831/2.9=25...(10) 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 1 assignment used, quality = 0.95: * HB3 ASN 121 + H ASN 121 OK 95 100 100 95 2.1-3.2 3.8=63, 3735/7689=31...(12) 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 1 assignment used, quality = 1.00: * HD21 ASN 121 + H ASN 121 OK 100 100 100 100 3.3-4.2 5.6=100 Violated in 0 structures by 0.00 A. Peak 7702 from nnoeabs.peaks (7.78, 8.12, 119.98 ppm; 4.75 A increased from 4.47 A): 2 out of 3 assignments used, quality = 0.97: * HD22 ASN 121 + H ASN 121 OK 90 100 90 100 4.5-5.4 3.5/7700=83, 1.7/7706=78...(10) H VAL 118 + H ASN 121 OK 71 71 100 100 4.5-4.7 2.8/7689=79...(14) HD22 ASN 59 - H ASN 121 far 0 92 0 - 9.0-13.2 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 2 assignments used, quality = 1.00: * H LEU 122 + H ASN 121 OK 100 100 100 100 2.8-3.0 4.0=100 H GLN 127 - H ASN 121 far 0 93 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 7704 from nnoeabs.peaks (8.26, 8.12, 119.98 ppm; 4.50 A increased from 4.00 A): 1 out of 3 assignments used, quality = 0.90: * H LEU 123 + H ASN 121 OK 90 100 100 90 3.9-4.4 7738/3.6=63, 7740/2.9=29...(11) H LEU 96 - H ASN 121 far 0 92 0 - 9.4-10.0 H SER 107 - H ASN 121 far 0 71 0 - 10.0-12.2 Violated in 0 structures by 0.00 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 3 assignments used, quality = 1.00: * H ASN 121 + HD21 ASN 121 OK 100 100 100 100 3.3-4.2 7700/3.5=84, 7712/1.7=68...(10) H VAL 133 - HE21 GLN 134 far 0 49 0 - 6.7-8.0 H ASP 71 - HE21 GLN 68 far 0 42 0 - 7.3-8.9 Violated in 0 structures by 0.00 A. Peak 7707 from nnoeabs.peaks (4.49, 6.88, 112.45 ppm; 5.74 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 121 + HD21 ASN 121 OK 100 100 100 100 3.6-4.1 4.5=100 HA ASP 64 - HE21 GLN 68 far 1 25 5 - 5.9-7.7 Violated in 0 structures by 0.00 A. Peak 7708 from nnoeabs.peaks (2.80, 6.88, 112.45 ppm; 3.79 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ASN 121 + HD21 ASN 121 OK 100 100 100 100 2.1-3.2 3.5=100 HB3 ASN 120 - HD21 ASN 121 far 0 100 0 - 5.2-6.3 HB2 ASN 120 - HD21 ASN 121 far 0 100 0 - 5.8-7.3 HB2 ASP 131 - HE21 GLN 134 far 0 43 0 - 6.4-8.7 HB3 ASP 71 - HE21 GLN 68 far 0 43 0 - 6.4-8.5 HB3 ASP 64 - HE21 GLN 68 far 0 52 0 - 6.5-8.7 Violated in 0 structures by 0.00 A. Peak 7709 from nnoeabs.peaks (2.98, 6.88, 112.45 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 121 + HD21 ASN 121 OK 100 100 100 100 2.1-3.3 3.5=100 HE2 LYS 36 - HE21 GLN 68 far 0 41 0 - 9.3-14.8 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 4 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 far 0 71 0 - 4.1-5.2 HD22 ASN 59 - HD21 ASN 121 far 0 92 0 - 9.9-14.3 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; 5.33 A increased from 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 121 + HD22 ASN 121 OK 100 100 100 100 4.5-5.4 7700/3.5=93, 7706/1.7=91...(10) Violated in 2 structures by 0.00 A. Peak 7713 from nnoeabs.peaks (4.49, 7.78, 112.45 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 121 + HD22 ASN 121 OK 100 100 100 100 4.0-4.3 4.5=100 Violated in 0 structures by 0.00 A. Peak 7714 from nnoeabs.peaks (2.80, 7.78, 112.45 ppm; 3.95 A increased from 3.71 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + HD22 ASN 121 OK 100 100 100 100 3.4-3.9 3.5=100 HB3 ASN 120 - HD22 ASN 121 far 0 100 0 - 6.0-7.4 HB2 ASN 120 - HD22 ASN 121 far 0 100 0 - 6.3-8.2 Violated in 0 structures by 0.00 A. Peak 7715 from nnoeabs.peaks (2.98, 7.78, 112.45 ppm; 3.96 A increased from 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 121 + HD22 ASN 121 OK 100 100 100 100 3.4-4.0 3.5=100 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 2 assignments used, quality = 1.00: * HA VAL 118 + H LEU 122 OK 100 100 100 100 3.8-4.4 3.2/11748=83...(22) HB2 SER 50 - H LEU 122 far 0 78 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 7719 from nnoeabs.peaks (4.03, 8.18, 122.62 ppm; 4.41 A): 4 out of 10 assignments used, quality = 1.00: * HA LEU 119 + H LEU 122 OK 99 100 100 99 3.9-4.4 3762=64, 3764/3.5=56...(17) HB3 SER 99 + H LEU 122 OK 80 83 100 97 2.9-4.3 11702/4.3=41...(19) HA LEU 96 + H LEU 122 OK 80 90 95 93 4.5-5.1 3868/3.5=25, 3855=24...(29) HA LEU 122 + H LEU 122 OK 73 73 100 100 2.8-2.8 2.9=100 HB3 SER 124 - H LEU 122 far 0 100 0 - 5.8-6.7 HA SER 50 - H LEU 122 far 0 60 0 - 7.8-9.4 HA LEU 103 - H LEU 122 far 0 98 0 - 7.8-8.5 HA LYS 95 - H LEU 122 far 0 99 0 - 7.9-8.7 HA ALA 92 - H LEU 122 far 0 78 0 - 9.6-10.8 HA GLU 102 - H LEU 122 far 0 71 0 - 9.9-11.1 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 2 assignments used, quality = 1.00: * H ASN 120 + H LEU 122 OK 100 100 100 100 4.5-4.7 7675=100, 3.6/3762=81...(15) H LEU 103 - H LEU 122 far 0 100 0 - 7.3-8.4 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 4.4-4.8 7738/3.3=99, 2.9/7675=98...(7) HA HIS 5 - H LEU 122 far 0 93 0 - 9.2-55.0 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 2.8-3.0 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 1 assignment used, quality = 1.00: * HA ASN 121 + H LEU 122 OK 100 100 100 100 3.6-3.6 3.6=100 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 = 1.00: * HB2 ASN 121 + H LEU 122 OK 100 100 100 100 2.3-3.3 4.3=79, 1.8/7725=70...(18) HB3 ASN 120 - H LEU 122 far 0 100 0 - 5.6-6.0 HB2 ASN 120 - H LEU 122 far 0 100 0 - 5.6-6.4 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 1 assignment used, quality = 1.00: * HB3 ASN 121 + H LEU 122 OK 100 100 100 100 2.2-3.1 4.3=92, 1.8/7724=82...(17) 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 4.8-5.3 3.5/7724=99, 3.5/7725=98...(7) HE21 GLN 61 - H LEU 122 far 0 100 0 - 9.9-15.1 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 5.9-6.3 3.5/7724=99, 3.5/7725=98...(8) H VAL 118 + H LEU 122 OK 71 71 100 100 6.2-6.5 3.9/11748=94...(8) HD22 ASN 59 - H LEU 122 far 0 92 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 7728 from nnoeabs.peaks (4.05, 8.18, 122.62 ppm; 4.22 A): 3 out of 7 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 119 + H LEU 122 OK 71 73 100 96 3.9-4.4 3.6/7675=46, 3762=35...(16) HA LEU 96 + H LEU 122 OK 50 99 55 92 4.5-5.1 3855=35, 3901/5.1=18...(28) HB3 SER 124 - H LEU 122 far 0 83 0 - 5.8-6.7 HB THR 65 - H LEU 122 far 0 90 0 - 9.0-10.3 HA ALA 92 - H LEU 122 far 0 100 0 - 9.6-10.8 HA GLU 102 - H LEU 122 far 0 100 0 - 9.9-11.1 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 3 assignments used, quality = 1.00: * HB2 LEU 122 + H LEU 122 OK 100 100 100 100 3.5-3.6 3.5=100 HG LEU 122 + H LEU 122 OK 100 100 100 100 2.1-4.0 4.6=100 HG LEU 119 - H LEU 122 far 0 95 0 - 6.3-6.6 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 2.2-2.8 3.5=100 HB3 LEU 123 - H LEU 122 far 0 39 0 - 5.1-5.9 HG LEU 100 - H LEU 122 far 0 89 0 - 5.4-6.2 HB3 LEU 103 - H LEU 122 far 0 100 0 - 6.7-7.7 HB2 LEU 100 - H LEU 122 far 0 63 0 - 7.1-8.1 HB3 LEU 98 - H LEU 122 far 0 98 0 - 7.8-10.4 Violated in 0 structures by 0.00 A. Peak 7731 from nnoeabs.peaks (1.60, 8.18, 122.62 ppm; 4.70 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 122 + H LEU 122 OK 100 100 100 100 2.1-4.0 4.6=100 HB2 LEU 122 + H LEU 122 OK 100 100 100 100 3.5-3.6 3.5=100 HB2 LEU 103 - H LEU 122 far 0 65 0 - 5.7-6.5 HG LEU 119 - H LEU 122 far 0 89 0 - 6.3-6.6 Violated in 0 structures by 0.00 A. Peak 7732 from nnoeabs.peaks (0.81, 8.18, 122.62 ppm; 4.03 A): 3 out of 8 assignments used, quality = 1.00: * QD1 LEU 122 + H LEU 122 OK 100 100 100 100 2.3-4.1 4.3=82, 3899/3.3=45...(32) QD2 LEU 122 + H LEU 122 OK 82 83 100 99 2.0-3.2 5.1=51, 3901/2.9=31...(36) QD1 LEU 53 + H LEU 122 OK 36 95 45 85 4.0-6.3 ~11818=26, 3907/3.3=24...(14) QD2 LEU 49 - H LEU 122 far 0 97 0 - 4.9-5.9 QD1 LEU 103 - H LEU 122 far 0 71 0 - 5.3-6.2 QD2 LEU 119 - H LEU 122 far 0 99 0 - 6.4-6.8 QG1 VAL 63 - H LEU 122 far 0 73 0 - 8.5-9.0 QD1 LEU 70 - H LEU 122 far 0 96 0 - 9.6-10.3 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 100 100 100 100 2.0-3.2 5.1=57, 3901/2.9=44...(36) QD1 LEU 122 + H LEU 122 OK 83 83 100 100 2.3-4.1 4.3=92, 3899/3.3=36...(32) QD1 LEU 53 + H LEU 122 OK 58 99 65 90 4.0-6.3 3907/3.3=34, ~11818=28...(14) QD1 LEU 96 - H LEU 122 far 5 92 5 - 4.7-5.6 QD2 LEU 49 - H LEU 122 far 0 97 0 - 4.9-5.9 QD1 LEU 103 - H LEU 122 far 0 100 0 - 5.3-6.2 QD2 LEU 119 - H LEU 122 far 0 93 0 - 6.4-6.8 QG1 VAL 63 - H LEU 122 far 0 100 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 7734 from nnoeabs.peaks (8.26, 8.18, 122.62 ppm; 5.58 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 123 + H LEU 122 OK 100 100 100 100 2.7-2.9 3.3=100 H LEU 96 - H LEU 122 far 0 92 0 - 7.2-7.7 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 2 assignments used, quality = 1.00: * H SER 124 + H LEU 122 OK 100 100 100 100 4.5-4.9 7761/3.3=100...(18) HD22 ASN 116 - H LEU 122 far 0 60 0 - 8.3-9.4 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): 4 out of 11 assignments used, quality = 1.00: * HA LEU 119 + H LEU 123 OK 99 100 100 99 4.3-4.9 3762/3.3=62, 3764/4.3=60...(8) HB3 SER 124 + H LEU 123 OK 93 100 95 98 4.9-5.6 7770/7761=78...(7) HA LEU 122 + H LEU 123 OK 73 73 100 100 3.5-3.6 3.6=100 HA SER 50 + H LEU 123 OK 39 60 70 93 5.0-6.7 11636/3944=54...(11) HA LEU 96 - H LEU 123 far 5 90 5 - 5.4-6.5 HB3 SER 99 - H LEU 123 far 4 83 5 - 5.6-7.0 HA ARG 135 - H ASP 131 far 0 84 0 - 7.0-8.3 HA ALA 92 - H ASP 131 far 0 62 0 - 9.6-10.4 HA LYS 95 - H LEU 123 far 0 99 0 - 9.7-10.6 HA LEU 103 - H LEU 123 far 0 98 0 - 9.7-10.8 HA ALA 92 - H LEU 123 far 0 78 0 - 9.9-11.3 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 4 assignments used, quality = 1.00: * HA ASN 120 + H LEU 123 OK 100 100 100 100 3.3-3.7 11560=91, 3813/3.9=50...(16) HA HIS 5 - H ASP 131 far 0 77 0 - 7.4-63.1 HA SER 33 - H GLU 30 far 0 62 0 - 8.3-9.7 HA THR 54 - H LEU 123 far 0 100 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 7739 from nnoeabs.peaks (8.12, 8.26, 119.72 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: * H ASN 121 + H LEU 123 OK 100 100 100 100 3.9-4.4 7704=100, 3.6/7738=99...(11) H ILE 32 + H GLU 30 OK 83 84 100 99 3.5-4.2 10830/6319=71...(11) H VAL 133 + H ASP 131 OK 58 58 100 100 3.8-4.1 4.4/11651=72...(13) H THR 25 - H GLU 30 far 0 86 0 - 8.1-13.8 H LEU 22 - H GLU 30 far 0 64 0 - 9.9-20.7 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 2 assignments used, quality = 1.00: * HA ASN 121 + H LEU 123 OK 100 100 100 100 4.2-5.0 2.9/7704=99...(10) HB THR 54 - H LEU 123 far 0 73 0 - 8.4-12.0 Violated in 0 structures by 0.00 A. Peak 7741 from nnoeabs.peaks (8.18, 8.26, 119.72 ppm; 5.58 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 122 + H LEU 123 OK 100 100 100 100 2.7-2.9 3.3=100 H GLN 127 + H LEU 123 OK 85 93 100 91 5.4-5.8 7805/7776=59...(9) H GLN 127 - H ASP 131 far 0 77 0 - 6.3-6.9 H VAL 63 - H LEU 123 far 0 87 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 7742 from nnoeabs.peaks (4.05, 8.26, 119.72 ppm; 4.45 A): 3 out of 7 assignments used, quality = 1.00: * HA LEU 122 + H LEU 123 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 119 + H LEU 123 OK 65 73 100 88 4.3-4.9 4.9/7738=45, 3762/3.3=31...(8) HB3 SER 124 + H LEU 123 OK 26 83 35 90 4.9-5.6 4.0/7761=61, 4.5/7776=42...(6) HA LEU 96 - H LEU 123 far 0 99 0 - 5.4-6.5 HB THR 65 - H LEU 123 far 0 90 0 - 8.1-9.1 HA ALA 92 - H ASP 131 far 0 87 0 - 9.6-10.4 HA ALA 92 - H LEU 123 far 0 100 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 7743 from nnoeabs.peaks (1.61, 8.26, 119.72 ppm; 5.03 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 122 + H LEU 123 OK 100 100 100 100 3.2-3.9 4.3=100 HG LEU 122 + H LEU 123 OK 99 100 100 99 2.0-5.3 2.1/3899=81, 3.0/7744=62...(12) HG LEU 119 - H LEU 123 far 0 95 0 - 6.9-7.5 HG3 ARG 23 - H GLU 30 far 0 88 0 - 8.6-19.9 HG LEU 22 - H GLU 30 far 0 98 0 - 8.6-21.9 HB3 LEU 22 - H GLU 30 far 0 98 0 - 9.5-21.5 Violated in 0 structures by 0.00 A. Peak 7744 from nnoeabs.peaks (1.79, 8.26, 119.72 ppm; 3.77 A): 2 out of 12 assignments used, quality = 0.97: * HB3 LEU 122 + H LEU 123 OK 95 100 100 95 2.2-3.9 4.3=65, 3.1/3899=39...(15) HB3 LEU 123 + H LEU 123 OK 39 39 100 99 2.5-3.0 3.9=89, 3.2/3952=48...(12) HB3 LYS 26 - H GLU 30 far 10 70 15 - 3.4-7.3 HB ILE 32 - H GLU 30 far 0 72 0 - 4.4-5.1 HB3 LYS 31 - H GLU 30 far 0 86 0 - 5.4-6.3 HG LEU 100 - H LEU 123 far 0 89 0 - 6.3-7.7 HB3 ARG 135 - H ASP 131 far 0 58 0 - 8.2-9.2 HB2 LEU 100 - H LEU 123 far 0 63 0 - 8.5-9.9 HB3 LEU 103 - H LEU 123 far 0 100 0 - 8.5-9.7 HB2 LYS 36 - H GLU 30 far 0 75 0 - 8.9-11.0 HB3 LYS 19 - H GLU 30 far 0 86 0 - 9.6-24.8 HB3 LYS 24 - H GLU 30 far 0 82 0 - 9.8-16.4 Violated in 0 structures by 0.00 A. Peak 7745 from nnoeabs.peaks (1.60, 8.26, 119.72 ppm; 4.99 A): 2 out of 8 assignments used, quality = 1.00: HB2 LEU 122 + H LEU 123 OK 100 100 100 100 3.2-3.9 4.3=100 * HG LEU 122 + H LEU 123 OK 99 100 100 99 2.0-5.3 2.1/3899=80, 3.0/7744=61...(12) HG LEU 119 - H LEU 123 far 0 89 0 - 6.9-7.5 HB2 LEU 103 - H LEU 123 far 0 65 0 - 7.5-8.7 HG2 ARG 23 - H GLU 30 far 0 59 0 - 8.4-18.9 HG3 ARG 23 - H GLU 30 far 0 80 0 - 8.6-19.9 HG LEU 22 - H GLU 30 far 0 95 0 - 8.6-21.9 HB3 LEU 22 - H GLU 30 far 0 95 0 - 9.5-21.5 Violated in 0 structures by 0.00 A. Peak 7746 from nnoeabs.peaks (0.81, 8.26, 119.72 ppm; 4.17 A): 4 out of 14 assignments used, quality = 1.00: QD1 LEU 53 + H LEU 123 OK 94 95 100 100 1.9-4.6 11422/3944=53...(22) * QD1 LEU 122 + H LEU 123 OK 83 100 85 98 2.5-4.9 3899=66, 3.1/7744=46...(14) QD2 LEU 122 + H LEU 123 OK 81 83 100 98 3.7-4.6 2.1/3899=58, 3.1/7744=47...(12) QD2 LEU 49 + H LEU 123 OK 48 97 100 50 3.9-4.7 9206/2.9=28, 3872/4.3=8...(7) QG2 ILE 129 - H ASP 131 far 0 75 0 - 4.9-5.5 QG1 VAL 133 - H ASP 131 far 0 44 0 - 5.1-6.6 QD2 LEU 119 - H LEU 123 far 0 99 0 - 6.4-6.9 QD1 LEU 103 - H LEU 123 far 0 71 0 - 6.7-7.6 QD1 LEU 53 - H ASP 131 far 0 78 0 - 9.3-11.8 QG1 VAL 63 - H LEU 123 far 0 73 0 - 9.3-10.2 QG2 ILE 80 - H ASP 131 far 0 85 0 - 9.4-10.3 QG2 ILE 129 - H LEU 123 far 0 92 0 - 9.7-10.1 QD2 LEU 49 - H ASP 131 far 0 82 0 - 9.8-10.2 HG13 ILE 80 - H ASP 131 far 0 72 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 7747 from nnoeabs.peaks (0.79, 8.26, 119.72 ppm; 4.21 A): 5 out of 13 assignments used, quality = 1.00: QD1 LEU 53 + H LEU 123 OK 99 99 100 100 1.9-4.6 11422/3944=55...(22) * QD2 LEU 122 + H LEU 123 OK 98 100 100 98 3.7-4.6 2.1/3899=59, 3.1/7744=47...(12) QD1 ILE 32 + H GLU 30 OK 91 97 100 95 3.8-4.8 11488/3.7=65...(11) QD1 LEU 122 + H LEU 123 OK 76 83 95 96 2.5-4.9 3899=51, 3.1/7744=47...(14) QD2 LEU 49 + H LEU 123 OK 48 97 100 49 3.9-4.7 9206/2.9=28, ~10949=7...(8) QD1 LEU 96 - H LEU 123 far 0 92 0 - 5.1-6.0 QD2 LEU 119 - H LEU 123 far 0 93 0 - 6.4-6.9 QD1 LEU 103 - H LEU 123 far 0 100 0 - 6.7-7.6 QD1 LEU 96 - H ASP 131 far 0 75 0 - 9.3-9.9 QD1 LEU 53 - H ASP 131 far 0 85 0 - 9.3-11.8 QG1 VAL 63 - H LEU 123 far 0 100 0 - 9.3-10.2 QG2 ILE 80 - H ASP 131 far 0 51 0 - 9.4-10.3 QD2 LEU 49 - H ASP 131 far 0 82 0 - 9.8-10.2 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 6 assignments used, quality = 1.00: * HA LEU 123 + H LEU 123 OK 100 100 100 100 2.7-2.8 2.9=100 HB2 SER 130 + H ASP 131 OK 47 53 100 88 3.1-4.3 4.6=56, 3.9/7891=44...(9) HB2 SER 50 - H LEU 123 far 0 97 0 - 6.3-8.4 HA LEU 62 - H LEU 123 far 0 100 0 - 7.6-8.7 HB2 SER 50 - H ASP 131 far 0 82 0 - 7.7-9.1 HA LEU 123 - H ASP 131 far 0 87 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 7749 from nnoeabs.peaks (1.65, 8.26, 119.72 ppm; 4.12 A): 1 out of 16 assignments used, quality = 1.00: * HB2 LEU 123 + H LEU 123 OK 100 100 100 100 2.1-2.5 3.9=100 HD2 LYS 26 - H GLU 30 far 10 97 10 - 4.1-7.6 HD3 LYS 26 - H GLU 30 far 0 98 0 - 5.0-7.9 HG LEU 43 - H ASP 131 far 0 85 0 - 6.8-7.8 HG LEU 119 - H LEU 123 far 0 63 0 - 6.9-7.5 HD2 LYS 31 - H GLU 30 far 0 96 0 - 7.0-8.9 QB ALA 88 - H ASP 131 far 0 81 0 - 7.0-7.8 HD3 LYS 31 - H GLU 30 far 0 97 0 - 7.4-9.6 HG LEU 62 - H LEU 123 far 0 100 0 - 7.5-9.0 HG3 ARG 23 - H GLU 30 far 0 72 0 - 8.6-19.9 HD2 LYS 39 - H ASP 131 far 0 49 0 - 9.2-10.9 HB2 LEU 98 - H LEU 123 far 0 100 0 - 9.4-11.9 HB2 LEU 69 - H LEU 123 far 0 85 0 - 9.5-9.9 HD2 LYS 36 - H GLU 30 far 0 82 0 - 9.7-11.5 HB2 LEU 69 - H ASP 131 far 0 68 0 - 10.0-10.7 HD3 LYS 95 - H LEU 123 far 0 98 0 - 10.0-12.6 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 2.5-3.0 3.9=91, 3.2/3952=49...(12) HB3 LEU 119 - H LEU 123 far 0 100 0 - 5.9-6.3 HB2 ARG 135 - H ASP 131 far 0 53 0 - 8.4-9.2 HB3 LYS 36 - H GLU 30 far 0 98 0 - 8.8-11.6 HB3 LEU 48 - H LEU 123 far 0 87 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 7752 from nnoeabs.peaks (0.88, 8.26, 119.72 ppm; 4.52 A increased from 4.25 A): 1 out of 15 assignments used, quality = 1.00: * QD2 LEU 123 + H LEU 123 OK 100 100 100 100 4.1-4.3 3944=100, 2.1/3952=82...(14) QD1 LEU 62 - H LEU 123 poor 18 60 30 - 4.4-5.8 QD1 LEU 22 - H GLU 30 far 0 97 0 - 5.2-17.0 QG1 VAL 118 - H LEU 123 far 0 92 0 - 5.2-6.0 QD1 LEU 49 - H LEU 123 far 0 63 0 - 6.2-6.8 QD2 LEU 69 - H LEU 123 far 0 92 0 - 7.8-8.5 QG2 VAL 57 - H LEU 123 far 0 78 0 - 7.9-8.9 QD2 LEU 69 - H ASP 131 far 0 75 0 - 8.1-8.8 QD2 LEU 70 - H LEU 123 far 0 63 0 - 8.2-8.9 QG2 VAL 63 - H LEU 123 far 0 68 0 - 8.3-9.1 QD1 LEU 49 - H ASP 131 far 0 49 0 - 8.7-9.3 QG2 VAL 20 - H GLU 30 far 0 98 0 - 9.1-19.0 QG1 VAL 20 - H GLU 30 far 0 75 0 - 9.2-19.3 QD1 LEU 98 - H LEU 123 far 0 78 0 - 9.5-11.9 QD2 LEU 98 - H LEU 123 far 0 99 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 7753 from nnoeabs.peaks (0.93, 8.26, 119.72 ppm; 4.34 A): 1 out of 12 assignments used, quality = 1.00: * QD1 LEU 123 + H LEU 123 OK 100 100 100 100 4.0-4.2 3952=100, 2.1/3944=73...(12) QD1 LEU 62 - H LEU 123 poor 19 93 20 - 4.4-5.8 QG1 VAL 118 - H LEU 123 far 0 63 0 - 5.2-6.0 QG1 VAL 126 - H LEU 123 far 0 60 0 - 5.6-6.1 QG1 VAL 126 - H ASP 131 far 0 46 0 - 5.9-6.4 QD1 LEU 49 - H LEU 123 far 0 92 0 - 6.2-6.8 QD1 LEU 119 - H LEU 123 far 0 93 0 - 6.8-7.3 QD1 LEU 123 - H ASP 131 far 0 87 0 - 7.6-8.2 QG2 VAL 63 - H LEU 123 far 0 89 0 - 8.3-9.1 QD1 LEU 49 - H ASP 131 far 0 75 0 - 8.7-9.3 QG1 VAL 20 - H GLU 30 far 0 82 0 - 9.2-19.3 QG1 VAL 57 - H LEU 123 far 0 81 0 - 9.9-11.1 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 2 assignments used, quality = 1.00: * H SER 124 + H LEU 123 OK 100 100 100 100 2.9-3.2 4.2=100 HD22 ASN 116 - H LEU 123 far 0 60 0 - 9.9-11.1 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 4 assignments used, quality = 1.00: * H CYS 125 + H LEU 123 OK 100 100 100 100 3.8-4.1 7776=100, 3.4/7761=92...(17) H SER 130 + H ASP 131 OK 84 84 100 100 2.7-2.9 4.5=100 H ALA 52 - H LEU 123 far 0 92 0 - 8.0-9.8 H CYS 125 - H ASP 131 far 0 87 0 - 9.2-9.8 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 3 assignments used, quality = 1.00: * HA ASN 120 + H SER 124 OK 100 100 100 100 3.6-4.1 7738/7761=77...(11) HA THR 54 - H SER 124 far 0 100 0 - 8.9-10.6 HA HIS 5 - H SER 124 far 0 93 0 - 9.3-58.5 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 3.8-4.2 3836=98, 3968/7769=59...(9) HB THR 54 - H SER 124 far 0 73 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 7759 from nnoeabs.peaks (8.18, 7.95, 113.43 ppm; 5.01 A increased from 4.71 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 122 + H SER 124 OK 100 100 100 100 4.5-4.9 3.3/7761=83, 3.6/7758=70...(18) H GLN 127 + H SER 124 OK 93 93 100 99 4.6-4.8 3965/2.9=74, 3.5/7790=64...(12) Violated in 0 structures by 0.00 A. Peak 7760 from nnoeabs.peaks (4.05, 7.95, 113.43 ppm; 4.23 A): 1 out of 5 assignments used, quality = 0.83: HB3 SER 124 + H SER 124 OK 83 83 100 100 2.1-2.8 4.0=100 ! HA LEU 122 - H SER 124 poor 19 100 20 94 4.7-5.0 3.6/7761=61, 4.9/7758=38...(12) HA LEU 96 - H SER 124 far 0 99 0 - 6.4-7.5 HA LEU 119 - H SER 124 far 0 73 0 - 6.9-7.5 HA ALA 92 - H SER 124 far 0 100 0 - 8.9-10.1 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 2.9-3.2 4.2=74, 7750/7764=45...(15) H LEU 96 - H SER 124 far 0 92 0 - 8.5-9.2 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 3 assignments used, quality = 1.00: * HA LEU 123 + H SER 124 OK 100 100 100 100 3.6-3.6 3.6=100 HB2 SER 50 - H SER 124 far 0 97 0 - 6.0-8.2 HB2 SER 130 - H SER 124 far 0 68 0 - 9.9-12.6 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 4 assignments used, quality = 1.00: * HB2 LEU 123 + H SER 124 OK 100 100 100 100 2.1-2.6 3926=76, 1.8/7764=75...(18) HD3 LYS 95 - H SER 124 far 0 98 0 - 8.8-12.0 HD2 LYS 95 - H SER 124 far 0 100 0 - 9.2-12.2 HG LEU 119 - H SER 124 far 0 63 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 7764 from nnoeabs.peaks (1.88, 7.95, 113.43 ppm; 3.96 A increased from 3.73 A): 1 out of 2 assignments used, quality = 0.98: * HB3 LEU 123 + H SER 124 OK 98 98 100 100 3.6-3.9 1.8/7763=76, 4.6=63...(15) HB3 LEU 119 - H SER 124 far 0 100 0 - 7.6-8.2 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 3 assignments used, quality = 1.00: * HG LEU 123 + H SER 124 OK 100 100 100 100 2.2-3.1 2.1/7767=68, 3.0/7763=65...(19) HB2 LEU 119 - H SER 124 far 0 78 0 - 7.5-8.3 HG LEU 49 - H SER 124 far 0 100 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 7766 from nnoeabs.peaks (0.88, 7.95, 113.43 ppm; 4.53 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 123 + H SER 124 OK 100 100 100 100 3.6-4.2 2.1/7765=81, 2.1/7767=78...(14) QD1 LEU 62 - H SER 124 far 0 60 0 - 6.7-8.0 QG1 VAL 118 - H SER 124 far 0 92 0 - 7.1-7.6 QD1 LEU 49 - H SER 124 far 0 63 0 - 7.7-8.4 QD2 LEU 69 - H SER 124 far 0 92 0 - 9.1-9.8 QD2 LEU 70 - H SER 124 far 0 63 0 - 9.6-10.2 QG2 VAL 57 - H SER 124 far 0 78 0 - 9.7-10.6 QD2 LEU 98 - H SER 124 far 0 99 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 7767 from nnoeabs.peaks (0.93, 7.95, 113.43 ppm; 4.35 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 123 + H SER 124 OK 100 100 100 100 3.3-3.6 3959=84, 2.1/7765=77...(20) QG1 VAL 126 - H SER 124 far 0 60 0 - 6.3-6.6 QD1 LEU 62 - H SER 124 far 0 93 0 - 6.7-8.0 QG1 VAL 118 - H SER 124 far 0 63 0 - 7.1-7.6 QD1 LEU 49 - H SER 124 far 0 92 0 - 7.7-8.4 QD1 LEU 119 - H SER 124 far 0 93 0 - 8.4-8.9 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 2.8-2.8 2.9=100 HA SER 99 - H SER 124 far 0 76 0 - 9.6-10.7 HA SER 51 - H SER 124 far 0 73 0 - 9.9-11.2 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 4 assignments used, quality = 0.98: * HB2 SER 124 + H SER 124 OK 98 100 100 98 2.9-3.6 4.0=72, 1.8/3975=70...(8) HA SER 50 - H SER 124 far 0 100 0 - 5.5-6.7 HA GLN 127 - H SER 124 far 0 68 0 - 7.0-7.3 HB3 SER 99 - H SER 124 far 0 97 0 - 7.4-8.4 Violated in 2 structures by 0.00 A. Peak 7770 from nnoeabs.peaks (4.03, 7.95, 113.43 ppm; 3.58 A): 1 out of 6 assignments used, quality = 1.00: * HB3 SER 124 + H SER 124 OK 100 100 100 100 2.1-2.8 3975=95, 3979/3.4=42...(12) HA LEU 122 - H SER 124 far 0 83 0 - 4.7-5.0 HA LEU 96 - H SER 124 far 0 96 0 - 6.4-7.5 HA LEU 119 - H SER 124 far 0 100 0 - 6.9-7.5 HB3 SER 99 - H SER 124 far 0 73 0 - 7.4-8.4 HA ALA 92 - H SER 124 far 0 87 0 - 8.9-10.1 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 2.7-2.8 3.4=100 H SER 130 - H SER 124 far 0 99 0 - 9.4-10.2 H ALA 52 - H SER 124 far 0 92 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 7772 from nnoeabs.peaks (8.29, 7.95, 113.43 ppm; 4.81 A increased from 4.28 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 126 + H SER 124 OK 100 100 100 100 4.5-4.7 7790=100, 7792/3.4=83...(12) H LEU 96 - H SER 124 far 0 90 0 - 8.5-9.2 H SER 99 - H SER 124 far 0 100 0 - 9.0-10.1 H LEU 49 - H SER 124 far 0 96 0 - 9.5-10.5 Violated in 0 structures by 0.00 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 1 assignment used, quality = 1.00: * HA ASN 121 + H CYS 125 OK 100 100 100 100 4.0-4.9 7758/3.4=98...(6) Violated in 0 structures by 0.00 A. Peak 7775 from nnoeabs.peaks (4.05, 8.04, 119.83 ppm; 4.38 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 122 + H CYS 125 OK 100 100 100 100 3.3-3.7 3.9/10366=53, 3863=50...(18) HB3 SER 124 + H CYS 125 OK 83 83 100 100 3.6-4.1 4.5=91, 3975/3.4=52...(11) HA LEU 96 - H CYS 125 poor 20 99 20 - 4.4-5.4 HA ALA 92 - H CYS 125 far 0 100 0 - 6.4-7.6 HA LEU 119 - H CYS 125 far 0 73 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 7776 from nnoeabs.peaks (8.26, 8.04, 119.83 ppm; 4.82 A): 1 out of 3 assignments used, quality = 0.99: * H LEU 123 + H CYS 125 OK 99 100 100 99 3.8-4.1 7761/3.4=78...(17) H LEU 96 - H CYS 125 far 0 92 0 - 6.0-6.7 H ASP 131 - H CYS 125 far 0 97 0 - 9.2-9.8 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 2.7-2.8 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 2 assignments used, quality = 1.00: * HA SER 124 + H CYS 125 OK 100 100 100 100 3.5-3.5 3.6=100 HA SER 99 - H CYS 125 far 0 76 0 - 9.1-9.8 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 5 assignments used, quality = 1.00: * HB2 SER 124 + H CYS 125 OK 100 100 100 100 2.8-3.6 4.5=79, 1.8/3979=78...(8) HA GLN 127 - H CYS 125 far 0 68 0 - 6.5-6.7 HA SER 50 - H CYS 125 far 0 100 0 - 6.8-7.8 HB3 SER 99 - H CYS 125 far 0 97 0 - 7.1-7.7 HA LYS 95 - H CYS 125 far 0 73 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 7781 from nnoeabs.peaks (4.03, 8.04, 119.83 ppm; 4.10 A): 2 out of 7 assignments used, quality = 1.00: * HB3 SER 124 + H CYS 125 OK 100 100 100 100 3.6-4.1 3979=98, 7770/3.4=63...(11) HA LEU 122 + H CYS 125 OK 82 83 100 99 3.3-3.7 3.9/10366=47...(18) HA LEU 96 - H CYS 125 far 5 96 5 - 4.4-5.4 HA ALA 92 - H CYS 125 far 0 87 0 - 6.4-7.6 HB3 SER 99 - H CYS 125 far 0 73 0 - 7.1-7.7 HA LYS 95 - H CYS 125 far 0 97 0 - 8.0-8.5 HA LEU 119 - H CYS 125 far 0 100 0 - 8.0-8.6 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 2.9-2.9 2.9=100 HA ASP 47 - H CYS 125 far 0 96 0 - 9.9-10.7 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 1 assignment used, quality = 0.99: * HB2 CYS 125 + H CYS 125 OK 99 100 100 99 2.1-3.6 3.9=86, 1.8/7784=71...(15) 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 4 assignments used, quality = 1.00: * HB3 CYS 125 + H CYS 125 OK 100 100 100 100 2.1-3.6 3.9=94, 1.8/7783=78...(12) HB3 HIS 8 - H CYS 125 far 0 100 0 - 8.4-52.0 HB2 HIS 5 - H CYS 125 far 0 65 0 - 8.4-58.0 HB3 HIS 4 - H CYS 125 far 0 65 0 - 9.0-60.5 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 2.5-2.6 3.6=100 H LEU 96 - H CYS 125 far 0 90 0 - 6.0-6.7 H SER 99 - H CYS 125 far 0 100 0 - 7.7-8.5 H ASP 131 - H CYS 125 far 0 83 0 - 9.2-9.8 H LEU 49 - H CYS 125 far 0 96 0 - 9.5-10.2 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 100 100 100 100 3.7-3.9 7805=79, 3.5/7792=64...(16) H LEU 122 + H CYS 125 OK 22 93 25 96 4.6-4.9 3.3/7776=46...(14) 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): 3 out of 6 assignments used, quality = 1.00: * HA LEU 122 + H VAL 126 OK 100 100 100 100 3.1-3.8 3.0/10405=81...(23) HA LEU 96 + H VAL 126 OK 98 99 100 100 4.4-5.0 11689/4021=83...(20) HB3 SER 124 + H VAL 126 OK 49 83 60 98 6.0-6.5 4.5/7792=80, 4.0/7790=70...(6) HA ALA 92 - H VAL 126 far 0 100 0 - 6.7-7.9 HA LEU 119 - H VAL 126 far 0 73 0 - 8.5-8.9 HB THR 65 - H VAL 126 far 0 90 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 7789 from nnoeabs.peaks (3.85, 8.29, 121.89 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 123 + H VAL 126 OK 100 100 100 100 3.5-3.9 3916=100, 3917/7797=97...(15) HB2 SER 50 + H VAL 126 OK 75 97 90 86 5.8-7.6 10393/4.0=42...(8) HB2 SER 130 - H VAL 126 poor 14 68 20 - 6.7-9.9 HA LEU 62 - H VAL 126 far 0 100 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 7790 from nnoeabs.peaks (7.95, 8.29, 121.89 ppm; 4.80 A increased from 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H SER 124 + H VAL 126 OK 100 100 100 100 4.5-4.7 7772=99, 3.4/7792=82...(12) Violated in 0 structures by 0.00 A. Peak 7791 from nnoeabs.peaks (4.24, 8.29, 121.89 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 124 + H VAL 126 OK 100 100 100 100 4.9-5.2 3.6/7792=100...(7) HA SER 99 - H VAL 126 far 0 76 0 - 9.7-10.3 HA SER 94 - H VAL 126 far 0 99 0 - 9.8-10.3 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 4 assignments used, quality = 0.99: * H CYS 125 + H VAL 126 OK 99 100 100 99 2.5-2.6 3.6=85, 7805/3.5=33...(18) H SER 130 - H VAL 126 far 0 99 0 - 6.1-6.8 H LEU 48 - H VAL 126 far 0 100 0 - 9.5-10.1 H ALA 52 - H VAL 126 far 0 92 0 - 9.8-10.6 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 3.6-3.6 3.6=100 HA ASP 47 - H VAL 126 far 0 96 0 - 8.3-8.8 HA LEU 69 - H VAL 126 far 0 73 0 - 8.9-9.2 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 2.4-3.2 4.7=100 HB2 CYS 73 - H VAL 126 far 0 96 0 - 9.4-9.9 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 3 assignments used, quality = 1.00: * HB3 CYS 125 + H VAL 126 OK 100 100 100 100 2.4-3.1 4.7=99, 7784/7792=71...(20) HB3 HIS 8 - H VAL 126 far 0 100 0 - 9.5-51.7 HB2 HIS 5 - H VAL 126 far 0 65 0 - 9.7-56.0 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 2 assignments used, quality = 1.00: * HA VAL 126 + H VAL 126 OK 100 100 100 100 2.8-2.8 2.9=100 HA ILE 129 - H VAL 126 far 0 63 0 - 7.1-7.4 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 2.3-2.5 3.7=91, 2.1/4021=75...(17) HB2 GLU 128 - H VAL 126 far 0 73 0 - 4.9-5.4 HG3 GLU 91 - H VAL 126 far 0 100 0 - 9.9-13.0 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 4 assignments used, quality = 1.00: * QG1 VAL 126 + H VAL 126 OK 100 100 100 100 3.7-3.8 2.1/4021=76, 4.0=75...(14) QG2 VAL 126 + H VAL 126 OK 99 99 100 100 2.2-2.6 4021=99, 2.1/7797=67...(20) QD1 LEU 123 - H VAL 126 far 0 60 0 - 4.4-4.8 QD2 LEU 53 - H VAL 126 far 0 97 0 - 5.9-7.6 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 3 assignments used, quality = 1.00: * QG2 VAL 126 + H VAL 126 OK 100 100 100 100 2.2-2.6 4021=100, 2.1/7797=65...(20) QG1 VAL 126 + H VAL 126 OK 98 99 100 99 3.7-3.8 2.1/4021=74, 4.0=71...(14) QD2 LEU 53 - H VAL 126 far 0 100 0 - 5.9-7.6 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 2.7-2.8 3.5=100 H LEU 122 + H VAL 126 OK 91 93 100 98 5.4-5.9 3.5/10405=77...(12) 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 1 assignment used, quality = 1.00: * H GLU 128 + H VAL 126 OK 100 100 100 100 3.9-4.1 7839/3.6=98...(11) 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 3 assignments used, quality = 1.00: * HA LEU 123 + H GLN 127 OK 100 100 100 100 3.2-3.8 3917/7809=96...(14) HB2 SER 50 + H GLN 127 OK 97 97 100 100 3.6-5.4 4037/2.9=69...(16) HB2 SER 130 + H GLN 127 OK 55 68 80 100 5.1-8.0 ~4181=93, ~4038=91...(7) 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 2 assignments used, quality = 1.00: * HA SER 124 + H GLN 127 OK 100 100 100 100 3.9-4.2 3965=100, 4049/7814=78...(10) HA SER 51 - H GLN 127 far 0 73 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 7805 from nnoeabs.peaks (8.04, 8.20, 119.68 ppm; 4.45 A): 1 out of 4 assignments used, quality = 1.00: * H CYS 125 + H GLN 127 OK 100 100 100 100 3.7-3.9 7786=82, 7792/3.5=72...(16) H SER 130 - H GLN 127 poor 20 99 20 - 4.9-5.5 H LEU 48 - H GLN 127 far 0 100 0 - 8.3-9.3 H ALA 52 - H GLN 127 far 0 92 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 7807 from nnoeabs.peaks (8.29, 8.20, 119.68 ppm; 5.58 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 126 + H GLN 127 OK 100 100 100 100 2.7-2.8 3.5=100 H ASP 131 - H GLN 127 far 0 83 0 - 6.3-6.9 H LEU 49 - H GLN 127 far 0 96 0 - 6.9-7.9 H LEU 96 - H GLN 127 far 0 90 0 - 8.2-8.6 H LEU 69 - H GLN 127 far 0 99 0 - 9.9-10.7 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 0 63 0 - 6.9-7.1 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 2 assignments used, quality = 1.00: * HB VAL 126 + H GLN 127 OK 100 100 100 100 2.5-2.9 4014=65, 2.1/4026=60...(21) HB2 GLU 128 - H GLN 127 poor 15 73 20 - 4.3-4.6 Violated in 0 structures by 0.00 A. Peak 7810 from nnoeabs.peaks (0.96, 8.20, 119.68 ppm; 4.17 A): 3 out of 4 assignments used, quality = 1.00: * QG1 VAL 126 + H GLN 127 OK 100 100 100 100 3.1-3.5 4020=100, 2.1/7809=81...(19) QG2 VAL 126 + H GLN 127 OK 99 99 100 100 3.9-4.1 4026=99, 2.1/7809=81...(22) QD1 LEU 123 + H GLN 127 OK 53 60 100 88 3.0-3.3 10727/4059=28...(13) QD2 LEU 53 - H GLN 127 far 0 97 0 - 6.5-7.7 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 3 assignments used, quality = 1.00: * QG2 VAL 126 + H GLN 127 OK 100 100 100 100 3.9-4.1 4026=100, 2.1/7809=85...(22) QG1 VAL 126 + H GLN 127 OK 99 99 100 100 3.1-3.5 4.3=100 QD2 LEU 53 - H GLN 127 far 0 100 0 - 6.5-7.7 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 5 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 0 65 0 - 4.7-5.6 HB2 SER 124 - H GLN 127 far 0 68 0 - 5.7-6.0 HB3 SER 51 - H GLN 127 far 0 96 0 - 9.0-11.5 HB2 SER 51 - H GLN 127 far 0 65 0 - 9.7-11.0 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 3.3-3.6 4040=90, 1.8/7814=79...(20) HB2 GLU 128 - H GLN 127 poor 18 73 25 - 4.3-4.6 QE MET 11 - H GLN 127 far 0 90 0 - 7.5-41.8 Violated in 0 structures by 0.00 A. Peak 7814 from nnoeabs.peaks (2.23, 8.20, 119.68 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 127 + H GLN 127 OK 100 100 100 100 2.1-2.5 4050=79, 1.8/7813=68...(22) HB3 GLU 128 - H GLN 127 far 0 100 0 - 5.4-6.1 HB3 LEU 96 - H GLN 127 far 0 97 0 - 6.5-7.2 Violated in 0 structures by 0.00 A. Peak 7815 from nnoeabs.peaks (2.35, 8.20, 119.68 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 127 + H GLN 127 OK 100 100 100 100 2.7-4.4 4059=100, 1.8/4068=86...(20) HG2 GLU 128 - H GLN 127 far 0 83 0 - 5.8-7.0 Violated in 1 structures by 0.01 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 2.9-3.8 4068=100, 1.8/4059=79...(22) 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 2.4-2.7 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 3 assignments used, quality = 1.00: * H ILE 129 + H GLN 127 OK 100 100 100 100 4.2-4.4 7860=83, 7855/3.2=75...(11) H SER 51 - H GLN 127 far 0 85 0 - 7.1-8.3 H ALA 52 - H GLN 127 far 0 68 0 - 8.9-10.0 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; 5.89 A increased from 5.23 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 127 + HE21 GLN 127 OK 100 100 100 100 3.3-5.9 5.6=100 HA SER 50 + HE21 GLN 127 OK 39 65 60 99 3.0-7.0 11874/10431=73...(8) HB2 SER 124 - HE21 GLN 127 far 3 68 5 - 6.3-9.6 HB3 SER 51 - HE21 GLN 127 far 0 96 0 - 7.0-10.5 HB2 SER 51 - HE21 GLN 127 far 0 65 0 - 7.6-11.7 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 2 assignments used, quality = 1.00: * HB2 GLN 127 + HE21 GLN 127 OK 100 100 100 100 3.3-5.0 4.5=100 HB2 GLU 128 - HE21 GLN 127 far 4 73 5 - 6.3-9.2 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 4 assignments used, quality = 1.00: * HB3 GLN 127 + HE21 GLN 127 OK 100 100 100 100 4.1-4.9 4.5=100 HB3 GLU 128 - HE21 GLN 127 far 0 100 0 - 6.3-9.5 HB3 LEU 96 - HE21 GLN 127 far 0 97 0 - 9.4-13.9 HG2 GLN 68 - HE21 GLN 127 far 0 100 0 - 9.5-16.5 Violated in 0 structures by 0.00 A. Peak 7826 from nnoeabs.peaks (2.35, 6.82, 112.36 ppm; 4.10 A increased from 3.64 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 127 + HE21 GLN 127 OK 100 100 100 100 3.9-4.1 3.5=100 HG2 GLU 128 - HE21 GLN 127 far 0 83 0 - 8.9-11.4 Violated in 3 structures by 0.00 A. Peak 7827 from nnoeabs.peaks (2.49, 6.82, 112.36 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + HE21 GLN 127 OK 100 100 100 100 3.4-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 7828 from nnoeabs.peaks (7.48, 6.82, 112.36 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 127 + HE21 GLN 127 OK 100 100 100 100 1.7-1.7 1.7=100 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; 5.05 A increased from 4.75 A): 2 out of 5 assignments used, quality = 0.99: * HA GLN 127 + HE22 GLN 127 OK 97 100 100 97 3.1-5.1 4060/3.5=83, 5.6=73...(4) HA SER 50 + HE22 GLN 127 OK 63 65 100 96 3.2-5.3 11874/10434=74...(9) HB2 SER 124 - HE22 GLN 127 far 0 68 0 - 5.8-8.8 HB3 SER 51 - HE22 GLN 127 far 0 96 0 - 7.2-9.3 HB2 SER 51 - HE22 GLN 127 far 0 65 0 - 8.2-10.3 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 2 assignments used, quality = 1.00: * HB2 GLN 127 + HE22 GLN 127 OK 100 100 100 100 2.2-4.1 4.5=100 HB2 GLU 128 - HE22 GLN 127 far 0 73 0 - 6.2-8.9 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 3 assignments used, quality = 1.00: * HB3 GLN 127 + HE22 GLN 127 OK 100 100 100 100 2.6-4.0 4.5=100 HB3 GLU 128 - HE22 GLN 127 far 0 100 0 - 6.5-9.5 HB3 LEU 96 - HE22 GLN 127 far 0 97 0 - 8.9-12.8 Violated in 0 structures by 0.00 A. Peak 7834 from nnoeabs.peaks (2.35, 7.48, 112.36 ppm; 3.74 A increased from 3.33 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 127 + HE22 GLN 127 OK 100 100 100 100 3.1-3.6 3.5=100 HG2 GLU 128 - HE22 GLN 127 far 0 83 0 - 8.9-11.1 Violated in 0 structures by 0.00 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 2.1-2.8 3.5=100 HG2 GLU 55 - HE22 GLN 127 far 0 81 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 7836 from nnoeabs.peaks (6.82, 7.48, 112.36 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 127 + HE22 GLN 127 OK 100 100 100 100 1.7-1.7 1.7=100 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 1 assignment used, quality = 1.00: * HA SER 124 + H GLU 128 OK 100 100 100 100 4.2-4.8 3965/3.2=86...(11) 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 3.4-3.7 3985=73, 3986/3.6=57...(21) HA ASP 47 - H GLU 128 far 0 96 0 - 7.7-8.7 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 = 0.99: * H VAL 126 + H GLU 128 OK 98 100 100 98 3.9-4.1 3.6/7839=67...(11) H ASP 131 + H GLU 128 OK 80 83 100 96 4.8-5.1 4084/2.9=53, 4.5/7879=47...(11) H LEU 96 - H GLU 128 far 0 90 0 - 7.8-8.5 H LEU 49 - H GLU 128 far 0 96 0 - 9.2-10.0 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 3.8-4.2 11598=100, 4006/7855=84...(20) HA ILE 129 + H GLU 128 OK 63 63 100 100 5.0-5.2 2.9/7855=99, 3.6/7879=85...(11) 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 2.4-2.7 3.2=100 H LEU 122 - H GLU 128 far 0 93 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 7843 from nnoeabs.peaks (3.97, 7.88, 119.85 ppm; 4.27 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 127 + H GLU 128 OK 100 100 100 100 3.4-3.5 3.6=100 HB2 SER 124 - H GLU 128 far 0 68 0 - 5.7-6.0 HA SER 50 - H GLU 128 far 0 65 0 - 7.2-8.1 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 4 assignments used, quality = 1.00: * HB2 GLN 127 + H GLU 128 OK 100 100 100 100 3.2-4.2 4048=61, 1.8/4058=54...(19) HB2 GLU 128 + H GLU 128 OK 73 73 100 100 2.1-2.3 3.6=97, 3.0/7854=43...(15) QE MET 11 - H GLU 128 far 0 90 0 - 6.1-41.9 HG3 GLN 134 - H GLU 128 far 0 71 0 - 8.9-11.4 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 3.1-3.6 3.6=98, 3.0/7854=43...(14) * HB3 GLN 127 + H GLU 128 OK 100 100 100 100 3.2-4.0 4058=59, 1.8/4048=55...(22) HB3 LEU 96 - H GLU 128 far 0 97 0 - 6.5-7.3 HG2 GLU 91 - H GLU 128 far 0 100 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. Peak 7846 from nnoeabs.peaks (2.35, 7.88, 119.85 ppm; 4.43 A increased from 4.17 A): 2 out of 3 assignments used, quality = 0.99: * HG2 GLN 127 + H GLU 128 OK 95 100 95 100 2.1-5.3 4059/3.2=68, 4060/3.6=68...(22) HG2 GLU 128 + H GLU 128 OK 83 83 100 100 3.7-4.4 4.6=91, 1.8/7854=81...(15) HB3 GLN 134 - H GLU 128 far 0 71 0 - 9.7-11.9 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 2 assignments used, quality = 1.00: * HG3 GLN 127 + H GLU 128 OK 100 100 100 100 3.6-5.3 4076=100, 4068/3.2=100...(20) HG2 MET 11 - H GLU 128 far 0 81 0 - 9.6-47.9 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 2 assignments used, quality = 1.00: * HA GLU 128 + H GLU 128 OK 100 100 100 100 2.9-2.9 2.9=100 HA ALA 88 - H GLU 128 far 0 99 0 - 9.8-10.9 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 2.1-2.3 3.6=100 HB2 GLN 127 + H GLU 128 OK 73 73 100 99 3.2-4.2 1.8/4058=55, 4.7=47...(19) HB VAL 126 - H GLU 128 far 0 73 0 - 4.8-5.0 HG3 GLU 91 - H GLU 128 far 0 63 0 - 8.4-11.6 HG3 GLN 134 - H GLU 128 far 0 100 0 - 8.9-11.4 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 3.1-3.6 3.6=98, 3.0/7854=43...(15) HB3 GLN 127 + H GLU 128 OK 100 100 100 100 3.2-4.0 4058=59, 1.8/4048=55...(22) HB3 LEU 96 - H GLU 128 far 0 97 0 - 6.5-7.3 HG2 GLU 91 - H GLU 128 far 0 100 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. Peak 7853 from nnoeabs.peaks (2.37, 7.88, 119.85 ppm; 4.50 A increased from 4.24 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 128 + H GLU 128 OK 100 100 100 100 3.7-4.4 4.6=96, 1.8/7854=83...(15) HG2 GLN 127 + H GLU 128 OK 79 83 95 100 2.1-5.3 3.0/4048=68, 3.0/4058=68...(22) 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 3.0-4.2 4110=93, 4111/2.9=74...(12) Violated in 0 structures by 0.00 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 2.4-2.6 7862=93, 7864/3.6=47...(18) H SER 51 - H GLU 128 far 0 85 0 - 9.4-10.7 H SER 94 - H GLU 128 far 0 97 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 7856 from nnoeabs.peaks (8.04, 7.88, 119.85 ppm; 4.63 A increased from 3.90 A): 2 out of 2 assignments used, quality = 1.00: * H SER 130 + H GLU 128 OK 100 100 100 100 3.9-4.5 7879=88, 3.6/7862=67...(12) H CYS 125 + H GLU 128 OK 98 99 100 99 4.4-4.7 2.9/7839=75, 7805/3.2=63...(12) Violated in 0 structures by 0.00 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 3.8-4.6 3986/7864=98...(16) HA ASP 47 - H ILE 129 far 0 96 0 - 8.1-9.3 HA LEU 69 - H ILE 129 far 0 73 0 - 8.8-9.8 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 2 assignments used, quality = 1.00: * HA VAL 126 + H ILE 129 OK 100 100 100 100 3.2-3.7 4006=80, 10402/7873=57...(19) HA ILE 129 + H ILE 129 OK 63 63 100 100 2.7-2.8 2.9=100 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 4.2-4.4 7820=100, 3.2/7855=81...(11) Violated in 0 structures by 0.00 A. Peak 7861 from nnoeabs.peaks (3.97, 8.00, 119.54 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 127 + H ILE 129 OK 100 100 100 100 4.3-4.8 3.6/7855=99, 2.9/7820=99...(9) HB2 SER 124 - H ILE 129 far 3 68 5 - 7.4-8.0 HA SER 50 - H ILE 129 far 0 65 0 - 8.9-9.7 HA GLU 91 - H ILE 129 far 0 97 0 - 9.6-10.5 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 2.4-2.6 7855=100, 3.6/7864=49...(19) H ALA 88 - H ILE 129 far 0 65 0 - 9.8-10.8 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 3.5-3.6 3.6=100 HA ALA 88 - H ILE 129 far 0 99 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 7864 from nnoeabs.peaks (2.08, 8.00, 119.54 ppm; 4.09 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 128 + H ILE 129 OK 100 100 100 100 2.8-3.6 4094=86, 1.8/7865=67...(15) HB2 GLN 127 - H ILE 129 far 0 73 0 - 5.4-6.2 HB VAL 126 - H ILE 129 far 0 73 0 - 5.4-5.9 HG3 GLU 91 - H ILE 129 far 0 63 0 - 7.1-10.5 HG3 GLN 134 - H ILE 129 far 0 100 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 7865 from nnoeabs.peaks (2.22, 8.00, 119.54 ppm; 4.42 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 128 + H ILE 129 OK 100 100 100 100 4.0-4.2 4.5=95, 1.8/7864=85...(16) HB3 GLN 127 - H ILE 129 far 0 100 0 - 5.4-6.1 HB3 LEU 96 - H ILE 129 far 0 97 0 - 5.9-6.4 HG2 GLU 91 - H ILE 129 far 0 100 0 - 7.7-10.8 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 2.5-4.0 4109=100, 1.8/4116=100...(16) HG2 GLN 127 + H ILE 129 OK 68 83 85 96 4.5-7.1 4.8/7820=74, 3.8/7861=57...(7) 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 2.0-3.2 4116=100, 1.8/4109=100...(16) 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 2 assignments used, quality = 1.00: * HA ILE 129 + H ILE 129 OK 100 100 100 100 2.7-2.8 2.9=100 HA VAL 126 + H ILE 129 OK 62 63 100 99 3.2-3.7 3.6/7820=50, 4006=40...(19) 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 4 assignments used, quality = 1.00: * HB ILE 129 + H ILE 129 OK 100 100 100 100 2.5-3.1 3.8=96, 2.1/7870=65...(14) HB2 GLU 91 - H ILE 129 far 0 99 0 - 8.2-10.7 HB2 GLN 134 - H ILE 129 far 0 87 0 - 9.5-11.2 HG2 ARG 90 - H ILE 129 far 0 83 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 7870 from nnoeabs.peaks (0.82, 8.00, 119.54 ppm; 3.84 A): 1 out of 6 assignments used, quality = 1.00: * QG2 ILE 129 + H ILE 129 OK 100 100 100 100 3.5-3.8 4.0=87, 2.1/7869=72...(20) QD1 LEU 122 - H ILE 129 far 0 92 0 - 7.2-9.4 QG1 VAL 133 - H ILE 129 far 0 92 0 - 7.2-8.5 QD2 LEU 49 - H ILE 129 far 0 71 0 - 7.3-7.9 QD1 LEU 53 - H ILE 129 far 0 63 0 - 7.7-10.0 QD1 LEU 70 - H ILE 129 far 0 100 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 7871 from nnoeabs.peaks (0.75, 8.00, 119.54 ppm; 4.09 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 129 + H ILE 129 OK 100 100 100 100 1.3-3.0 1.8/7872=77, 2.1/7873=76...(16) QD2 LEU 96 - H ILE 129 far 0 100 0 - 4.8-5.5 QD1 LEU 96 - H ILE 129 far 0 78 0 - 6.1-6.8 QD2 LEU 43 - H ILE 129 far 0 100 0 - 6.3-6.8 QG1 VAL 93 - H ILE 129 far 0 100 0 - 6.8-7.2 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 2 assignments used, quality = 1.00: * HG13 ILE 129 + H ILE 129 OK 100 100 100 100 1.3-3.8 1.8/7871=75, 2.1/7873=75...(14) HB2 LEU 43 - H ILE 129 far 0 89 0 - 9.7-11.3 Violated in 0 structures by 0.00 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 2.5-3.4 4160=70, 2.1/7872=66...(21) QD1 LEU 42 - H ILE 129 far 0 99 0 - 6.6-7.7 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 3 assignments used, quality = 1.00: * H SER 130 + H ILE 129 OK 100 100 100 100 2.8-3.1 3.6=100 H CYS 125 + H ILE 129 OK 78 99 80 99 5.8-6.2 7805/7860=62...(11) H LEU 48 - H ILE 129 far 0 97 0 - 10.0-11.3 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 4.0-4.5 7896=100, 7891/3.6=83...(14) H VAL 126 + H ILE 129 OK 82 83 100 100 4.8-4.9 2.9/4006=79, 3.5/7820=71...(11) H LEU 96 - H ILE 129 far 0 100 0 - 7.3-7.6 H LEU 123 - H ILE 129 far 0 97 0 - 9.0-9.3 H LEU 43 - H ILE 129 far 0 89 0 - 9.8-10.6 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 2 assignments used, quality = 1.00: * HA VAL 126 + H SER 130 OK 100 100 100 100 4.0-4.7 3.2/10497=78...(14) HA ILE 129 + H SER 130 OK 63 63 100 100 3.5-3.6 3.6=100 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 3.8-4.1 4036=100, 4181/3.9=60...(10) HA SER 50 - H SER 130 far 0 65 0 - 8.8-9.5 HB2 SER 124 - H SER 130 far 0 68 0 - 9.5-10.4 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 = 0.99: * H GLU 128 + H SER 130 OK 99 100 100 99 3.9-4.5 7855/3.6=73, 3.6/4036=67...(12) 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 1 assignment used, quality = 1.00: * HA GLU 128 + H SER 130 OK 100 100 100 100 4.3-4.7 2.9/7879=98...(9) 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 2.8-3.1 3.6=100 H SER 51 - H SER 130 far 0 85 0 - 9.8-10.8 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 3 assignments used, quality = 1.00: * HA ILE 129 + H SER 130 OK 100 100 100 100 3.5-3.6 3.6=100 HA VAL 126 + H SER 130 OK 62 63 100 98 4.0-4.7 3.2/10497=66...(14) HA LEU 42 - H SER 130 far 0 93 0 - 8.1-9.1 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 2 assignments used, quality = 1.00: * HB ILE 129 + H SER 130 OK 100 100 100 100 2.2-2.6 2.1/4143=65, 4135=62...(19) HB2 GLN 134 - H SER 130 far 0 87 0 - 7.5-9.0 Violated in 0 structures by 0.00 A. Peak 7884 from nnoeabs.peaks (0.82, 8.04, 112.76 ppm; 3.99 A increased from 3.75 A): 1 out of 7 assignments used, quality = 1.00: * QG2 ILE 129 + H SER 130 OK 100 100 100 100 3.4-3.9 4143=100, 2.1/7883=75...(17) QG1 VAL 133 - H SER 130 far 0 92 0 - 5.2-6.7 QD2 LEU 49 - H SER 130 far 0 71 0 - 7.7-8.1 QD1 LEU 53 - H SER 130 far 0 63 0 - 7.9-10.2 QD1 LEU 122 - H SER 130 far 0 92 0 - 8.6-10.5 HG13 ILE 80 - H SER 130 far 0 100 0 - 9.3-9.9 QG2 ILE 80 - H SER 130 far 0 99 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 7885 from nnoeabs.peaks (0.75, 8.04, 112.76 ppm; 4.28 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 129 + H SER 130 OK 100 100 100 100 3.3-4.4 2.9/7883=71, 3.2/4143=64...(13) QD2 LEU 43 + H SER 130 OK 100 100 100 100 3.9-4.5 11747/2.9=69, 11091=65...(17) QD2 LEU 96 - H SER 130 far 0 100 0 - 5.9-6.8 QD1 LEU 96 - H SER 130 far 0 78 0 - 7.1-7.9 QG1 VAL 93 - H SER 130 far 0 100 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 7886 from nnoeabs.peaks (1.74, 8.04, 112.76 ppm; 5.72 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 129 + H SER 130 OK 100 100 100 100 3.2-5.2 4159=100, 2.9/7883=97...(13) HB2 LEU 43 - H SER 130 far 0 89 0 - 6.8-8.6 HB2 LYS 39 - H SER 130 far 0 89 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 7887 from nnoeabs.peaks (0.64, 8.04, 112.76 ppm; 4.75 A increased from 4.47 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 129 + H SER 130 OK 100 100 100 100 4.0-4.6 4163/4143=81...(18) QD1 LEU 42 - H SER 130 far 0 99 0 - 5.7-6.6 Violated in 0 structures by 0.00 A. Peak 7888 from nnoeabs.peaks (3.78, 8.04, 112.76 ppm; 3.73 A): 2 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 2.1-3.1 3.9=85, 1.8/4176=70...(13) HA LEU 43 - H SER 130 far 0 100 0 - 4.8-5.9 HA VAL 133 - H SER 130 far 0 92 0 - 7.2-7.7 HA ARG 90 - H SER 130 far 0 96 0 - 9.3-10.5 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 5 assignments used, quality = 0.98: * HB2 SER 130 + H SER 130 OK 98 100 100 98 2.1-3.6 4176=89, 4180/7891=41...(9) HB2 SER 50 - H SER 130 far 0 90 0 - 6.6-8.4 HA LEU 123 - H SER 130 far 0 68 0 - 8.1-8.8 HA ARG 90 - H SER 130 far 0 63 0 - 9.3-10.5 HA GLU 40 - H SER 130 far 0 83 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 7890 from nnoeabs.peaks (3.77, 8.04, 112.76 ppm; 3.70 A): 2 out of 5 assignments used, quality = 1.00: * HB3 SER 130 + H SER 130 OK 99 100 100 99 2.1-3.1 3.9=83, 1.8/4176=69...(13) HA SER 130 + H SER 130 OK 99 99 100 100 2.7-2.8 2.9=100 HA LEU 43 - H SER 130 far 0 99 0 - 4.8-5.9 HA VAL 133 - H SER 130 far 0 99 0 - 7.2-7.7 HA ARG 90 - H SER 130 far 0 83 0 - 9.3-10.5 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 = 0.98: * H ASP 131 + H SER 130 OK 98 100 100 98 2.7-2.9 4.5=55, 4180/7889=41...(17) H VAL 126 - H SER 130 far 0 83 0 - 6.1-6.8 H LEU 43 - H SER 130 far 0 89 0 - 7.0-8.1 H LEU 96 - H SER 130 far 0 100 0 - 9.4-10.1 H LEU 69 - H SER 130 far 0 63 0 - 9.8-10.5 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 2 assignments used, quality = 1.00: * H VAL 132 + H SER 130 OK 100 100 100 100 4.3-4.7 7910=100, 3.3/7891=97...(14) H ASP 47 + H SER 130 OK 22 92 25 95 6.4-7.4 3.7/10498=72...(5) 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; 5.06 A increased from 4.76 A): 3 out of 6 assignments used, quality = 0.99: * HA GLN 127 + H ASP 131 OK 98 100 100 98 4.6-5.2 4036/7891=70...(7) HA SER 50 + H LEU 123 OK 33 51 70 94 5.0-6.7 11874/10512=71...(9) HB2 SER 124 + H LEU 123 OK 27 53 55 91 5.5-6.3 4.0/7761=70, 4.5/7776=52...(5) HA LEU 100 - H LEU 123 far 0 84 0 - 7.5-8.8 HA GLN 127 - H LEU 123 far 0 87 0 - 7.7-8.3 HA VAL 20 - H GLU 30 far 0 71 0 - 9.9-20.9 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 7 assignments used, quality = 0.98: * HA GLU 128 + H ASP 131 OK 96 100 100 96 3.3-3.5 4086/7904=47...(11) HA GLU 30 + H GLU 30 OK 52 52 100 100 2.5-2.9 3.0=100 HA LEU 53 - H LEU 123 far 0 70 0 - 5.9-7.5 HB THR 25 - H GLU 30 far 0 93 0 - 7.4-13.5 HA SER 99 - H LEU 123 far 0 64 0 - 7.7-9.1 HA SER 51 - H LEU 123 far 0 66 0 - 9.3-10.9 HA ALA 88 - H ASP 131 far 0 99 0 - 10.0-10.8 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 5 assignments used, quality = 0.99: * H ILE 129 + H ASP 131 OK 99 100 100 99 4.0-4.5 3.6/7891=72, 3.6/4084=57...(14) H SER 51 - H LEU 123 far 0 68 0 - 7.9-9.5 H ALA 52 - H LEU 123 far 0 53 0 - 8.0-9.8 H ILE 129 - H LEU 123 far 0 87 0 - 9.0-9.3 H LYS 36 - H GLU 30 far 0 92 0 - 9.4-11.3 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 3 assignments used, quality = 1.00: * HA ILE 129 + H ASP 131 OK 100 100 100 100 4.1-4.7 3.6/7891=100...(17) HA VAL 126 + H ASP 131 OK 56 63 100 90 6.4-7.0 4.8/7894=50...(8) HA VAL 126 + H LEU 123 OK 49 49 100 100 6.9-7.2 ~3917=75, ~3916=72...(21) 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 4 assignments used, quality = 1.00: * H SER 130 + H ASP 131 OK 100 100 100 100 2.7-2.9 7891=100, 7889/4180=46...(17) H CYS 125 + H LEU 123 OK 81 84 100 96 3.8-4.1 3.4/7761=53, 7776=51...(16) H ALA 52 - H LEU 123 far 0 85 0 - 8.0-9.8 H CYS 125 - H ASP 131 far 0 99 0 - 9.2-9.8 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 6 assignments used, quality = 1.00: * HA SER 130 + H ASP 131 OK 100 100 100 100 3.5-3.6 3.6=100 HB3 SER 130 + H ASP 131 OK 98 99 100 99 2.6-3.3 1.8/4180=72, 4.6=68...(13) HB2 SER 99 - H LEU 123 far 0 60 0 - 5.4-6.9 HA LEU 43 - H ASP 131 far 0 100 0 - 6.2-6.9 HA VAL 133 - H ASP 131 far 0 92 0 - 6.7-6.9 HA GLU 97 - H LEU 123 far 0 66 0 - 8.6-10.3 Violated in 0 structures by 0.00 A. Peak 7900 from nnoeabs.peaks (3.82, 8.27, 119.63 ppm; 3.94 A): 2 out of 7 assignments used, quality = 0.99: * HB2 SER 130 + H ASP 131 OK 97 100 100 97 3.1-4.3 4180=82, 7889/7891=53...(11) HA LEU 123 + H LEU 123 OK 53 53 100 100 2.7-2.8 2.9=100 HA VAL 118 - H LEU 123 far 0 85 0 - 6.1-6.9 HB2 SER 50 - H LEU 123 far 0 74 0 - 6.3-8.4 HA LEU 62 - H LEU 123 far 0 58 0 - 7.6-8.7 HB2 SER 50 - H ASP 131 far 0 90 0 - 7.7-9.1 HA LEU 123 - H ASP 131 far 0 68 0 - 9.7-10.5 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 6 assignments used, quality = 1.00: HA SER 130 + H ASP 131 OK 99 99 100 100 3.5-3.6 3.6=100 * HB3 SER 130 + H ASP 131 OK 99 100 100 99 2.6-3.3 1.8/4180=70, 4.6=65...(13) HB2 SER 99 - H LEU 123 far 0 75 0 - 5.4-6.9 HA LEU 43 - H ASP 131 far 0 99 0 - 6.2-6.9 HA VAL 133 - H ASP 131 far 0 99 0 - 6.7-6.9 HA GLU 97 - H LEU 123 far 0 80 0 - 8.6-10.3 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 5 assignments used, quality = 1.00: * HA ASP 131 + H ASP 131 OK 100 100 100 100 2.7-2.8 2.9=100 HA THR 25 - H GLU 30 far 0 79 0 - 7.3-12.5 HA ARG 23 - H GLU 30 far 0 69 0 - 7.9-16.2 HA LYS 24 - H GLU 30 far 0 57 0 - 8.3-17.0 HA ASN 59 - H LEU 123 far 0 53 0 - 9.2-10.5 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 5 assignments used, quality = 0.99: * HB2 ASP 131 + H ASP 131 OK 99 100 100 99 2.1-2.2 4196=74, 1.8/7904=71...(13) HB2 ASN 121 - H LEU 123 far 0 51 0 - 4.7-5.7 HB2 ASN 120 - H LEU 123 far 0 46 0 - 5.1-5.9 HB3 ASN 120 - H LEU 123 far 0 46 0 - 5.6-6.2 HB3 ASP 35 - H GLU 30 far 0 69 0 - 7.4-9.1 Violated in 0 structures by 0.00 A. Peak 7904 from nnoeabs.peaks (2.87, 8.27, 119.63 ppm; 3.25 A): 1 out of 4 assignments used, quality = 0.99: * HB3 ASP 131 + H ASP 131 OK 99 100 100 99 2.9-3.0 4202=75, 1.8/7903=70...(14) HB3 ASP 47 - H ASP 131 far 0 76 0 - 8.9-10.5 HE2 LYS 95 - H LEU 123 far 0 77 0 - 9.9-13.7 HB2 ASN 116 - H LEU 123 far 0 75 0 - 10.0-11.2 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 6 assignments used, quality = 1.00: * H VAL 132 + H ASP 131 OK 100 100 100 100 2.7-3.0 3.3=100 H LEU 100 - H LEU 123 far 0 75 0 - 6.9-8.7 H ASP 47 - H ASP 131 far 0 92 0 - 8.1-9.0 H SER 9 - H ASP 131 far 0 90 0 - 8.6-53.9 H GLU 97 - H LEU 123 far 0 49 0 - 8.7-9.9 H ASN 116 - H LEU 123 far 0 53 0 - 10.0-10.5 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 4 assignments used, quality = 1.00: * H VAL 133 + H ASP 131 OK 100 100 100 100 3.8-4.1 7925=96, 11723/7903=46...(13) H ILE 32 + H GLU 30 OK 89 93 100 96 3.5-4.2 10819/3.6=61...(10) H ASN 121 + H LEU 123 OK 53 58 100 92 3.9-4.4 7704=59, 3.6/11560=58...(10) H LEU 22 - H GLU 30 far 0 93 0 - 9.9-20.7 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 6 assignments used, quality = 1.00: * HA GLU 128 + H VAL 132 OK 100 100 100 100 4.1-4.6 4195/7914=77...(11) HA GLU 128 - H SER 9 far 0 73 0 - 6.0-53.2 HA ALA 88 - H VAL 132 far 0 99 0 - 7.5-8.3 HA VAL 105 - H SER 9 far 0 71 0 - 7.6-47.7 HA ALA 88 - H SER 9 far 0 71 0 - 8.1-51.7 HB THR 18 - H SER 9 far 0 73 0 - 8.2-29.4 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 3.4-3.9 4125=99, 4126/7917=70...(24) HA VAL 126 - H VAL 132 far 0 63 0 - 7.9-8.2 HA ILE 129 - H SER 9 far 0 73 0 - 9.3-49.3 HA VAL 77 - H VAL 132 far 0 93 0 - 9.4-9.8 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 2 assignments used, quality = 1.00: * H SER 130 + H VAL 132 OK 100 100 100 100 4.3-4.7 7891/3.3=78, 3.6/7909=54...(14) H VAL 20 - H SER 9 far 0 39 0 - 8.1-32.3 Violated in 2 structures by 0.00 A. Peak 7912 from nnoeabs.peaks (8.27, 8.47, 118.09 ppm; 3.63 A): 1 out of 5 assignments used, quality = 1.00: * H ASP 131 + H VAL 132 OK 100 100 100 100 2.7-3.0 3.3=100 H LEU 96 - H SER 9 far 0 72 0 - 8.2-45.2 H ASP 131 - H SER 9 far 0 73 0 - 8.6-53.9 H LEU 43 - H VAL 132 far 0 89 0 - 9.3-10.1 H VAL 126 - H VAL 132 far 0 83 0 - 9.6-9.9 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 5 assignments used, quality = 1.00: * HA ASP 131 + H VAL 132 OK 100 100 100 100 3.6-3.6 3.6=100 HA ALA 21 - H SER 9 far 0 57 0 - 7.8-35.2 HA THR 18 - H SER 9 far 0 60 0 - 8.0-31.0 HA ALA 12 - H SER 9 far 0 48 0 - 8.1-11.9 HA ASP 131 - H SER 9 far 0 73 0 - 8.7-55.3 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 3.3-3.5 4200=76, 1.8/7915=69...(17) HB2 ASP 131 - H SER 9 far 0 73 0 - 6.8-54.7 HB3 ASN 13 - H SER 9 far 0 73 0 - 7.0-16.5 HB2 TYR 76 - H VAL 132 far 0 95 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 7915 from nnoeabs.peaks (2.87, 8.47, 118.09 ppm; 3.77 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 131 + H VAL 132 OK 100 100 100 100 2.2-2.6 4206=83, 1.8/7914=77...(24) HE2 LYS 95 - H SER 9 far 3 63 5 - 3.6-47.5 HE3 LYS 95 - H SER 9 far 0 63 0 - 4.6-47.6 HB3 ASP 131 - H SER 9 far 0 73 0 - 6.0-53.7 Violated in 0 structures by 0.00 A. Peak 7916 from nnoeabs.peaks (3.52, 8.47, 118.09 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 132 + H VAL 132 OK 100 100 100 100 2.7-2.8 3.0=100 HA VAL 132 - H SER 9 far 0 73 0 - 7.8-54.1 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 4 assignments used, quality = 1.00: * HB VAL 132 + H VAL 132 OK 100 100 100 100 2.8-3.0 4214=77, 2.1/4226=43...(19) HB VAL 105 - H SER 9 far 0 62 0 - 7.6-46.1 HB VAL 132 - H SER 9 far 0 73 0 - 9.0-51.3 HG2 GLU 97 - H SER 9 far 0 69 0 - 9.2-42.4 Violated in 0 structures by 0.00 A. Peak 7918 from nnoeabs.peaks (1.13, 8.47, 118.09 ppm; 3.26 A): 2 out of 6 assignments used, quality = 1.00: * QG1 VAL 132 + H VAL 132 OK 99 100 100 99 3.6-3.7 2.1/7917=63, 4.0=54...(25) QG2 VAL 132 + H VAL 132 OK 99 99 100 100 1.8-1.9 4226=64, 2.1/7917=63...(29) QG2 VAL 132 - H SER 9 far 0 70 0 - 5.5-42.9 QG1 VAL 132 - H SER 9 far 0 73 0 - 7.2-44.2 HG3 LYS 39 - H VAL 132 far 0 68 0 - 8.3-8.9 HG2 LYS 39 - H VAL 132 far 0 100 0 - 8.6-10.5 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 6 assignments used, quality = 1.00: * QG2 VAL 132 + H VAL 132 OK 100 100 100 100 1.8-1.9 4226=65, 2.1/7917=63...(29) QG1 VAL 132 + H VAL 132 OK 98 99 100 99 3.6-3.7 2.1/7917=63, 4.0=54...(25) QG2 VAL 132 - H SER 9 far 0 73 0 - 5.5-42.9 QG1 VAL 132 - H SER 9 far 0 70 0 - 7.2-44.2 HG3 LYS 39 - H VAL 132 far 0 87 0 - 8.3-8.9 HG2 LYS 39 - H VAL 132 far 0 100 0 - 8.6-10.5 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 5 assignments used, quality = 1.00: * H VAL 133 + H VAL 132 OK 100 100 100 100 2.6-2.8 3.3=100 H GLU 91 - H SER 9 far 0 54 0 - 6.7-48.5 H LEU 22 - H SER 9 far 0 73 0 - 8.4-33.8 H GLU 91 - H VAL 132 far 0 83 0 - 9.0-9.8 H PHE 87 - H VAL 132 far 0 60 0 - 9.6-10.3 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 2 assignments used, quality = 1.00: * H GLN 134 + H VAL 132 OK 100 100 100 100 4.1-4.5 7936/3.3=84, 7940=73...(8) HE22 GLN 127 - H SER 9 far 0 69 0 - 9.2-57.3 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): 1 out of 4 assignments used, quality = 1.00: * HA ILE 129 + H VAL 133 OK 100 100 100 100 4.2-4.9 4126/7929=95...(14) HA VAL 77 - H VAL 133 far 0 93 0 - 8.1-8.5 HA VAL 126 - H VAL 133 far 0 63 0 - 8.7-9.1 HA LEU 42 - H VAL 133 far 0 93 0 - 9.6-10.1 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 = 0.99: * H ASP 131 + H VAL 133 OK 99 100 100 99 3.8-4.1 7903/11723=48...(13) H LEU 43 - H VAL 133 far 0 89 0 - 7.2-8.0 H GLU 40 - H VAL 133 far 0 97 0 - 9.5-10.4 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 1 assignment used, quality = 1.00: * HA ASP 131 + H VAL 133 OK 100 100 100 100 3.8-4.3 2.9/7925=99...(14) 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 2.6-2.8 3.3=100 H ASP 47 - H VAL 133 far 0 92 0 - 9.9-10.6 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 3.4-3.5 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 2.8-3.1 4219=80, 7917/3.3=59...(21) HB2 PRO 81 - H VAL 133 far 0 71 0 - 9.4-10.8 Violated in 0 structures by 0.00 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 3.9-4.1 4.2=82, 2.1/7929=76...(25) QG2 VAL 132 + H VAL 133 OK 99 99 100 100 3.5-3.7 2.1/7929=76, 4.4=75...(32) HG3 LYS 39 - H VAL 133 far 0 68 0 - 5.8-6.3 HG2 LYS 39 - H VAL 133 far 0 100 0 - 6.0-7.9 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 3.5-3.7 2.1/7929=76, 4.4=75...(32) QG1 VAL 132 + H VAL 133 OK 99 99 100 100 3.9-4.1 4.2=82, 2.1/7929=76...(25) HG3 LYS 39 - H VAL 133 far 0 87 0 - 5.8-6.3 HG2 LYS 39 - H VAL 133 far 0 100 0 - 6.0-7.9 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 3.4-3.8 3.6/7925=34...(19) HB3 SER 130 - H VAL 133 far 0 99 0 - 5.3-5.9 HA LEU 43 - H VAL 133 far 0 93 0 - 6.4-7.0 HA ARG 90 - H VAL 133 far 0 65 0 - 9.6-10.5 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 2.1-2.7 2.1/7935=72, 4.0=68...(19) HB2 GLN 82 - H VAL 133 far 0 96 0 - 7.7-10.3 Violated in 0 structures by 0.00 A. Peak 7934 from nnoeabs.peaks (0.84, 8.14, 117.00 ppm; 3.91 A increased from 3.48 A): 2 out of 4 assignments used, quality = 1.00: * QG1 VAL 133 + H VAL 133 OK 100 100 100 100 3.2-3.8 4245=95, 2.1/7935=85...(22) QG2 ILE 129 + H VAL 133 OK 22 92 25 97 4.2-5.1 11747/7929=41...(17) HG13 ILE 80 - H VAL 133 far 0 95 0 - 5.9-6.7 QG2 ILE 80 - H VAL 133 far 0 76 0 - 6.4-7.1 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 2.0-3.3 4251=96, 2.1/7933=59...(26) QG1 VAL 77 - H VAL 133 far 0 83 0 - 9.5-9.8 Violated in 1 structures by 0.00 A. Peak 7936 from nnoeabs.peaks (7.49, 8.14, 117.00 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 134 + H VAL 133 OK 100 100 100 100 2.3-2.6 7942=98, 7944/7933=42...(13) H LEU 42 - H VAL 133 far 0 100 0 - 9.2-10.0 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): 2 out of 4 assignments used, quality = 1.00: * HA SER 130 + H GLN 134 OK 99 100 100 99 3.9-5.1 11747/10593=57...(8) HA VAL 133 + H GLN 134 OK 92 92 100 100 3.4-3.6 3.6=100 HB3 SER 130 - H GLN 134 far 0 99 0 - 5.4-6.9 HA LEU 43 - H GLN 134 far 0 100 0 - 6.4-7.4 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 1 assignment used, quality = 0.99: * HA ASP 131 + H GLN 134 OK 99 100 100 99 3.1-3.5 4192=72, 4193/7948=58...(9) 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 4.1-4.5 7921=100, 3.3/7936=93...(8) H ASP 47 - H GLN 134 far 0 92 0 - 9.9-10.9 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 4.0-4.8 3.6/7936=91...(7) 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 2.3-2.6 7936=100, 7933/7944=43...(13) Violated in 0 structures by 0.00 A. Peak 7943 from nnoeabs.peaks (3.77, 7.49, 116.34 ppm; 4.89 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 133 + H GLN 134 OK 100 100 100 100 3.4-3.6 3.6=100 HA SER 130 + H GLN 134 OK 90 92 100 98 3.9-5.1 11747/10593=52...(8) HB3 SER 130 - H GLN 134 far 10 99 10 - 5.4-6.9 HA LEU 43 - H GLN 134 far 0 93 0 - 6.4-7.4 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 2.5-3.2 2.1/4250=74, 4.6=72...(13) HB2 GLN 82 - H GLN 134 far 0 96 0 - 8.1-10.8 Violated in 0 structures by 0.00 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 2.4-3.9 4250=100, 2.1/7944=70...(19) QG2 ILE 129 - H GLN 134 far 0 92 0 - 6.2-6.9 HG13 ILE 80 - H GLN 134 far 0 95 0 - 6.9-8.0 QG2 ILE 80 - H GLN 134 far 0 76 0 - 7.1-8.0 Violated in 0 structures by 0.00 A. Peak 7946 from nnoeabs.peaks (1.04, 7.49, 116.34 ppm; 4.32 A increased from 4.06 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 133 + H GLN 134 OK 100 100 100 100 3.6-4.3 4256=99, 2.1/4250=80...(18) 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 1 assignment used, quality = 1.00: * HA GLN 134 + H GLN 134 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7948 from nnoeabs.peaks (2.02, 7.49, 116.34 ppm; 3.66 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLN 134 + H GLN 134 OK 100 100 100 100 2.6-3.6 4.0=75, 1.8/7949=73...(15) HG3 ARG 135 - H GLN 134 far 10 96 10 - 3.9-5.5 HG2 PRO 81 - H GLN 134 far 0 78 0 - 6.8-8.6 HB ILE 129 - H GLN 134 far 0 87 0 - 7.1-8.2 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 2.4-3.6 4.0=77, 1.8/7948=74...(17) HG2 GLU 40 - H GLN 134 far 0 92 0 - 9.2-12.7 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 2.1-2.8 1.8/7951=73, 4286=70...(18) 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 5 assignments used, quality = 1.00: * HG3 GLN 134 + H GLN 134 OK 100 100 100 100 1.9-3.7 1.8/7950=75, 4295=74...(16) HG3 PRO 81 - H GLN 134 far 0 57 0 - 6.5-8.2 HB3 LYS 39 - H GLN 134 far 0 100 0 - 7.4-8.1 HB3 GLN 82 - H GLN 134 far 0 97 0 - 7.5-11.0 HB2 GLU 128 - H GLN 134 far 0 100 0 - 9.7-10.3 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 5.6-6.1 1.7/7964=99, 3.5/7950=95...(8) Violated in 1 structures by 0.01 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 2.5-2.8 7972=100, 4.4/7948=29...(11) HZ PHE 89 - H GLN 134 far 0 99 0 - 7.4-9.0 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 2 assignments used, quality = 1.00: * H GLN 134 + HE21 GLN 134 OK 100 100 100 100 5.6-6.1 7952=100, 7964/1.7=100...(8) H LEU 42 - HE21 GLN 134 far 0 100 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 7957 from nnoeabs.peaks (4.35, 6.89, 112.66 ppm; 5.84 A increased from 4.67 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 134 + HE21 GLN 134 OK 100 100 100 100 4.9-6.0 5.4=100 HA PRO 117 + HD21 ASN 121 OK 57 66 100 87 5.0-6.2 2.3/7958=36...(10) HA ASP 47 - HE21 GLN 134 far 0 97 0 - 7.4-9.2 HA CYS 125 - HD21 ASN 121 far 0 76 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 7958 from nnoeabs.peaks (2.02, 6.89, 112.66 ppm; 4.20 A): 2 out of 14 assignments used, quality = 0.93: * HB2 GLN 134 + HE21 GLN 134 OK 86 100 90 96 3.6-5.2 4.3=91, ~7965=35, 7948/7952=31 HB3 PRO 117 + HD21 ASN 121 OK 52 69 100 75 3.4-4.5 10316/5.6=26...(9) HB3 MET 11 - HD22 ASN 13 poor 5 69 30 26 3.1-9.4 10653/5.6=25 QE MET 11 - HD22 ASN 13 far 5 51 10 - 4.4-11.2 HB3 GLU 91 - HD22 ASN 13 far 3 62 5 - 4.2-40.4 HB2 GLU 91 - HD22 ASN 13 far 2 40 5 - 4.2-39.8 HG3 PRO 117 - HD21 ASN 121 far 0 37 0 - 5.3-6.5 HG2 ARG 90 - HD22 ASN 13 far 0 69 0 - 7.8-34.8 HB VAL 20 - HD22 ASN 13 far 0 52 0 - 8.0-20.2 HB3 GLU 40 - HE21 GLN 134 far 0 92 0 - 8.6-11.5 QE MET 11 - HD21 ASN 121 far 0 57 0 - 9.1-40.2 HB ILE 129 - HE21 GLN 134 far 0 87 0 - 9.2-10.9 HG3 ARG 135 - HE21 GLN 134 far 0 96 0 - 9.3-10.9 HB2 GLU 44 - HE21 GLN 134 far 0 100 0 - 9.6-11.2 Violated in 1 structures by 0.00 A. Peak 7959 from nnoeabs.peaks (2.33, 6.89, 112.66 ppm; 4.39 A): 1 out of 6 assignments used, quality = 0.95: * HB3 GLN 134 + HE21 GLN 134 OK 95 100 95 100 3.6-5.1 4.3=100 HG2 GLU 102 - HD21 ASN 121 far 0 39 0 - 5.4-7.3 HG2 GLU 40 - HE21 GLN 134 far 0 92 0 - 7.7-11.6 HG2 GLN 127 - HE21 GLN 134 far 0 71 0 - 8.2-12.3 HG2 GLU 44 - HE21 GLN 134 far 0 99 0 - 8.8-10.9 HB3 GLN 101 - HD22 ASN 13 far 0 35 0 - 9.3-35.0 Violated in 2 structures by 0.05 A. Peak 7960 from nnoeabs.peaks (2.65, 6.89, 112.66 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 134 + HE21 GLN 134 OK 100 100 100 100 3.4-3.9 3.5=100 HB2 ASP 71 - HD22 ASN 13 far 0 49 0 - 6.3-35.3 Violated in 1 structures by 0.00 A. Peak 7961 from nnoeabs.peaks (2.08, 6.89, 112.66 ppm; 4.31 A increased from 4.06 A): 2 out of 9 assignments used, quality = 1.00: * HG3 GLN 134 + HE21 GLN 134 OK 100 100 100 100 3.4-4.1 3.5=100 HG2 PRO 117 + HD21 ASN 121 OK 24 41 85 68 4.1-5.2 2.3/7958=26, ~3710=15...(10) HB VAL 118 - HD21 ASN 121 far 0 47 0 - 5.0-5.8 HB2 GLU 102 - HD21 ASN 121 far 0 77 0 - 5.8-8.4 HG3 GLU 91 - HD22 ASN 13 far 0 38 0 - 6.6-41.1 HB3 GLN 82 - HD22 ASN 13 far 0 64 0 - 6.9-42.7 HB3 LYS 39 - HE21 GLN 134 far 0 100 0 - 7.2-9.9 HB2 GLN 127 - HE21 GLN 134 far 0 71 0 - 8.4-11.5 HB3 GLU 44 - HE21 GLN 134 far 0 100 0 - 9.2-10.8 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 2 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 - 9.8-33.7 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; 4.74 A increased from 4.46 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 134 + HE22 GLN 134 OK 100 100 100 100 4.1-4.8 7950/3.5=75, 7951/3.5=75...(10) H LEU 42 - HE22 GLN 134 far 0 100 0 - 8.1-11.0 Violated in 1 structures by 0.00 A. Peak 7965 from nnoeabs.peaks (4.35, 7.13, 112.66 ppm; 4.98 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 134 + HE22 GLN 134 OK 100 100 100 100 3.9-5.3 4261/3.5=79, 4296/3.5=79...(11) HA ASP 47 - HE22 GLN 134 far 0 97 0 - 7.8-9.2 Violated in 1 structures by 0.02 A. Peak 7966 from nnoeabs.peaks (2.02, 7.13, 112.66 ppm; 4.43 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 134 + HE22 GLN 134 OK 100 100 100 100 2.5-4.6 4.3=100 HB ILE 129 - HE22 GLN 134 far 0 87 0 - 8.1-10.6 HG3 ARG 135 - HE22 GLN 134 far 0 96 0 - 8.4-9.9 HB3 GLU 40 - HE22 GLN 134 far 0 92 0 - 8.4-11.7 HB2 GLU 44 - HE22 GLN 134 far 0 100 0 - 9.2-11.3 HG2 PRO 81 - HE22 GLN 134 far 0 78 0 - 9.6-11.5 Violated in 2 structures by 0.02 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 2.0-4.6 4.3=100 HG2 GLU 40 - HE22 GLN 134 far 0 92 0 - 6.6-12.1 HG2 GLN 127 - HE22 GLN 134 far 0 71 0 - 8.2-11.9 HG2 GLU 44 - HE22 GLN 134 far 0 99 0 - 8.6-10.9 Violated in 1 structures by 0.00 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 2.1-3.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 7969 from nnoeabs.peaks (2.08, 7.13, 112.66 ppm; 3.97 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLN 134 + HE22 GLN 134 OK 100 100 100 100 2.1-3.6 3.5=100 HB3 LYS 39 - HE22 GLN 134 far 0 100 0 - 6.4-9.5 HB2 GLN 127 - HE22 GLN 134 far 0 71 0 - 8.4-11.1 HB3 GLU 44 - HE22 GLN 134 far 0 100 0 - 8.7-11.2 HG3 PRO 81 - HE22 GLN 134 far 0 57 0 - 9.3-11.0 Violated in 0 structures by 0.00 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 1 assignment used, quality = 0.99: * H GLN 134 + H ARG 135 OK 99 100 100 99 2.5-2.8 7954=88, 7948/4.4=27...(11) 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 2.9-3.5 3.6=100 HA PRO 81 - H ARG 135 far 0 90 0 - 9.2-10.3 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 = 0.99: HG3 ARG 135 + H ARG 135 OK 96 96 100 100 2.3-3.6 1.8/7983=83, 4336=68...(22) * HB2 GLN 134 + H ARG 135 OK 76 100 80 95 3.2-4.3 4.4=62, 7948/7972=56...(6) HG2 PRO 81 - H ARG 135 far 0 78 0 - 5.4-8.0 HB ILE 129 - H ARG 135 far 0 87 0 - 9.1-10.3 QE MET 11 - H ARG 135 far 0 83 0 - 9.7-44.1 Violated in 0 structures by 0.00 A. Peak 7975 from nnoeabs.peaks (2.33, 7.31, 125.67 ppm; 4.84 A increased from 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 134 + H ARG 135 OK 100 100 100 100 3.0-4.7 4.4=100 Violated in 0 structures by 0.00 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 4.4-4.9 4.9=93, 1.8/7977=84...(12) Violated in 1 structures by 0.01 A. Peak 7977 from nnoeabs.peaks (2.08, 7.31, 125.67 ppm; 4.62 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 134 + H ARG 135 OK 100 100 100 100 3.7-5.1 4.9=82, 7951/7972=77...(11) HG3 PRO 81 - H ARG 135 far 0 57 0 - 5.6-7.6 HB3 GLN 82 - H ARG 135 far 0 97 0 - 5.6-9.2 HB3 LYS 39 - H ARG 135 far 0 100 0 - 8.3-9.1 Violated in 4 structures by 0.05 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 2.7-2.8 3.0=100 HD3 PRO 81 - H ARG 135 far 0 83 0 - 6.8-8.8 Violated in 0 structures by 0.00 A. Peak 7981 from nnoeabs.peaks (1.90, 7.31, 125.67 ppm; 3.71 A increased from 3.30 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 135 + H ARG 135 OK 100 100 100 100 2.6-3.6 1.8/7982=86, 4.0=81...(20) HB3 ARG 84 - H ARG 135 far 0 100 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 7982 from nnoeabs.peaks (1.82, 7.31, 125.67 ppm; 3.20 A): 1 out of 2 assignments used, quality = 0.99: * HB3 ARG 135 + H ARG 135 OK 99 100 100 99 2.5-3.6 1.8/7981=55, 4.0=52...(19) HB2 ARG 84 - H ARG 135 far 0 98 0 - 7.7-10.6 Violated in 1 structures by 0.02 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 2.1-3.8 1.8/7984=66, 4328=62...(26) HD3 LYS 39 - H ARG 135 far 0 100 0 - 5.6-7.7 HB ILE 80 - H ARG 135 far 0 65 0 - 9.0-10.0 HB2 LEU 43 - H ARG 135 far 0 89 0 - 9.1-10.2 Violated in 1 structures by 0.02 A. Peak 7984 from nnoeabs.peaks (2.03, 7.31, 125.67 ppm; 3.51 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 135 + H ARG 135 OK 100 100 100 100 2.3-3.6 1.8/7983=77, 4336=62...(23) HB2 GLN 134 - H ARG 135 far 14 96 15 - 3.2-4.3 HG3 PRO 81 - H ARG 135 far 0 85 0 - 5.6-7.6 QE MET 11 - H ARG 135 far 0 99 0 - 9.7-44.1 Violated in 1 structures by 0.00 A. Peak 7985 from nnoeabs.peaks (2.94, 7.31, 125.67 ppm; 4.78 A increased from 4.25 A): 3 out of 3 assignments used, quality = 1.00: * HD2 ARG 135 + H ARG 135 OK 100 100 100 100 3.1-4.8 3.0/7983=89, 3.0/7984=87...(26) HE2 LYS 39 + H ARG 135 OK 66 99 85 79 4.8-8.2 10571/10632=42...(6) HE3 LYS 39 + H ARG 135 OK 53 97 85 65 4.4-7.1 11738/3.6=24...(6) Violated in 0 structures by 0.00 A. Peak 7986 from nnoeabs.peaks (3.23, 7.31, 125.67 ppm; 4.91 A increased from 4.62 A): 1 out of 4 assignments used, quality = 1.00: * HD3 ARG 135 + H ARG 135 OK 100 100 100 100 4.3-4.9 3.0/7983=91, 3.0/7984=89...(26) HB2 HIS 5 - H ARG 135 far 0 100 0 - 7.6-66.3 HB3 HIS 4 - H ARG 135 far 0 100 0 - 8.0-70.4 HB3 HIS 8 - H ARG 135 far 0 73 0 - 8.4-55.9 Violated in 0 structures by 0.00 A. Peak 9012 from nnoeabs.peaks (4.53, 7.97, 121.77 ppm; 4.70 A increased from 4.42 A): 1 out of 3 assignments used, quality = 0.91: HA ASP 35 + H ILE 37 OK 91 97 100 94 4.0-4.7 962/4.4=61...(8) HA SER 38 - H ILE 37 far 0 99 0 - 5.4-5.7 HA TYR 72 - H ILE 37 far 0 87 0 - 5.7-6.7 Violated in 1 structures by 0.00 A. Peak 9029 from nnoeabs.peaks (8.29, 7.98, 119.00 ppm; 5.83 A): 2 out of 3 assignments used, quality = 0.98: H GLU 40 + H SER 38 OK 92 97 100 96 4.9-5.4 6448/6432=74...(5) H LEU 43 + H SER 38 OK 75 100 100 75 5.5-6.0 9023/6423=45...(3) H TYR 72 - H SER 38 far 0 57 0 - 7.7-8.6 Violated in 0 structures by 0.00 A. Peak 9035 from nnoeabs.peaks (6.48, 8.69, 124.20 ppm; 5.14 A): 2 out of 2 assignments used, quality = 0.99: QE TYR 76 + H LYS 39 OK 96 97 100 99 2.0-2.4 9036/2.8=68...(11) QD TYR 76 + H LYS 39 OK 81 83 100 98 4.0-4.4 ~9036=53, ~9036=51...(9) Violated in 0 structures by 0.00 A. Peak 9040 from nnoeabs.peaks (1.18, 7.98, 119.00 ppm; 3.89 A): 1 out of 4 assignments used, quality = 0.92: QB ALA 41 + H SER 38 OK 92 93 100 98 1.9-2.3 10819/6423=53...(13) HG3 LYS 39 - H SER 38 far 0 63 0 - 7.1-7.6 HG12 ILE 80 - H SER 38 far 0 65 0 - 9.5-11.2 QG2 VAL 77 - H SER 38 far 0 100 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 9076 from nnoeabs.peaks (1.69, 7.49, 120.97 ppm; 5.29 A): 0 out of 6 assignments used, quality = 0.00: HD2 LYS 39 - H LEU 42 far 5 95 5 - 5.7-7.9 HD3 LYS 39 - H LEU 42 far 0 76 0 - 6.7-8.5 HD3 LYS 36 - H LEU 42 far 0 81 0 - 7.9-9.0 HG LEU 48 - H LEU 42 far 0 76 0 - 9.4-11.3 HD2 LYS 36 - H LEU 42 far 0 81 0 - 9.4-10.3 HB2 LEU 69 - H LEU 42 far 0 78 0 - 9.5-10.1 Violated in 20 structures by 0.95 A. Peak 9130 from nnoeabs.peaks (1.18, 8.33, 119.61 ppm; 5.22 A increased from 4.91 A): 1 out of 2 assignments used, quality = 0.98: QB ALA 41 + H GLU 44 OK 98 98 100 100 5.0-5.2 2.1/6515=92, 3.7/6516=65...(11) HG3 LYS 39 - H GLU 44 far 0 76 0 - 6.0-7.7 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 1 assignment used, quality = 1.00: QB ALA 46 + H GLU 44 OK 100 100 100 100 4.5-4.6 3.1/6531=69, 1348/3.6=68...(9) Violated in 0 structures by 0.00 A. Peak 9142 from nnoeabs.peaks (6.80, 7.69, 120.85 ppm; 5.36 A increased from 5.04 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 72 + H CYS 45 OK 100 100 100 100 4.6-5.3 9532=85, 9547/3.5=79...(17) HE21 GLN 127 - H CYS 45 far 0 87 0 - 9.4-15.2 Violated in 0 structures by 0.00 A. Peak 9149 from nnoeabs.peaks (2.18, 7.69, 120.85 ppm; 4.68 A): 0 out of 3 assignments used, quality = 0.00: HB3 GLN 68 - H CYS 45 far 0 100 0 - 6.7-7.7 HB3 LEU 69 - H CYS 45 far 0 95 0 - 7.4-8.1 HB VAL 133 - H CYS 45 far 0 96 0 - 9.0-9.6 Violated in 20 structures by 1.73 A. Peak 9152 from nnoeabs.peaks (1.34, 7.69, 120.85 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 46 + H CYS 45 OK 100 100 100 100 4.1-4.3 9132/3.4=61...(12) 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 1 assignment used, quality = 0.93: QD1 LEU 69 + H CYS 45 OK 93 93 100 100 4.5-4.8 9165/3.2=97, 9160/3.5=93...(21) Violated in 0 structures by 0.00 A. Peak 9163 from nnoeabs.peaks (0.89, 7.69, 120.85 ppm; 5.84 A): 3 out of 3 assignments used, quality = 0.95: QD2 LEU 69 + H CYS 45 OK 76 76 100 100 3.8-4.5 2.1/11082=84...(24) QD1 LEU 49 + H CYS 45 OK 60 83 100 73 5.6-6.3 10888/3.5=37...(5) QD2 LEU 48 + H CYS 45 OK 45 90 50 100 5.3-7.0 ~10886=65, ~1438=59...(30) Violated in 0 structures by 0.00 A. Peak 9165 from nnoeabs.peaks (0.99, 8.54, 121.48 ppm; 4.05 A): 1 out of 5 assignments used, quality = 0.89: QD1 LEU 69 + H ALA 46 OK 89 89 100 100 2.8-3.1 11083=81, 11046/3.1=58...(25) QG2 VAL 126 - H ALA 46 far 0 63 0 - 5.9-6.4 QG2 VAL 118 - H HIS 5 far 0 76 0 - 6.2-46.8 QG2 VAL 105 - H HIS 5 far 0 86 0 - 6.8-43.4 QD2 LEU 53 - H HIS 5 far 0 61 0 - 8.4-50.9 Violated in 0 structures by 0.00 A. Peak 9166 from nnoeabs.peaks (0.78, 8.54, 121.48 ppm; 5.04 A): 1 out of 14 assignments used, quality = 0.73: QD2 LEU 43 + H ALA 46 OK 73 73 100 100 4.4-5.1 9176/3.1=90, 3.9/6550=63...(7) QD2 LEU 49 - H ALA 46 far 0 87 0 - 6.5-7.3 HG12 ILE 129 - H ALA 46 far 0 60 0 - 6.6-10.0 QD2 LEU 122 - H HIS 5 far 0 90 0 - 6.9-46.1 QD1 LEU 96 - H ALA 46 far 0 99 0 - 7.3-7.9 QD2 LEU 43 - H HIS 5 far 0 63 0 - 7.9-54.7 QD1 LEU 53 - H ALA 46 far 0 92 0 - 8.2-9.4 QD1 LEU 122 - H ALA 46 far 0 63 0 - 8.6-10.6 QD1 LEU 103 - H HIS 5 far 0 92 0 - 8.6-47.8 QD1 LEU 53 - H HIS 5 far 0 81 0 - 8.7-51.0 QD1 ILE 37 - H ALA 46 far 0 100 0 - 8.9-9.3 QD1 LEU 122 - H HIS 5 far 0 53 0 - 8.9-47.2 QG1 VAL 93 - H ALA 46 far 0 60 0 - 9.2-9.7 QD2 LEU 119 - H HIS 5 far 0 68 0 - 9.4-50.9 Violated in 1 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 4.1-4.5 9177/3.1=95...(12) Violated in 0 structures by 0.00 A. Peak 9180 from nnoeabs.peaks (0.94, 8.46, 118.99 ppm; 4.81 A): 3 out of 7 assignments used, quality = 0.99: QG1 VAL 126 + H ASP 47 OK 88 89 100 99 4.2-4.4 10409/6568=72...(13) QD1 LEU 48 + H ASP 47 OK 83 90 95 96 4.7-5.4 4.8/6579=60, 3.1/9196=39...(9) QD1 LEU 49 + H ASP 47 OK 56 65 100 86 4.1-5.0 4.7/6573=46, 9209/3.6=42...(10) QG2 VAL 126 - H ASP 47 far 0 73 0 - 6.4-6.6 QD1 LEU 123 - H ASP 47 far 0 96 0 - 7.5-8.0 QG2 ILE 37 - H ASP 47 far 0 100 0 - 9.1-9.6 QD2 LEU 53 - H ASP 47 far 0 65 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 9181 from nnoeabs.peaks (0.77, 8.46, 118.99 ppm; 5.93 A): 1 out of 6 assignments used, quality = 0.83: QD2 LEU 43 + H ASP 47 OK 83 83 100 100 4.8-5.4 9176/6568=96...(8) QD2 LEU 49 - H ASP 47 far 0 78 0 - 6.7-7.3 QD1 LEU 53 - H ASP 47 far 0 85 0 - 7.4-8.4 HG12 ILE 129 - H ASP 47 far 0 71 0 - 7.7-11.0 QD2 LEU 96 - H ASP 47 far 0 68 0 - 7.9-9.3 QD1 LEU 96 - H ASP 47 far 0 100 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 9198 from nnoeabs.peaks (1.50, 8.04, 122.99 ppm; 5.50 A): 1 out of 5 assignments used, quality = 1.00: HB2 LEU 49 + H LEU 48 OK 100 100 100 100 4.8-5.3 6604/6589=88...(13) QB ALA 52 - H LEU 48 far 4 78 5 - 6.0-6.6 HG LEU 69 - H LEU 48 far 0 95 0 - 6.5-6.9 HG LEU 42 - H LEU 48 far 0 92 0 - 8.0-8.5 HB2 LEU 53 - H LEU 48 far 0 83 0 - 9.3-11.2 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 3.9-4.2 9446=91, 11703/6589=73...(15) QG2 THR 54 - H LEU 48 far 0 99 0 - 7.8-8.5 Violated in 0 structures by 0.00 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 4.5-4.9 11703/3.2=77...(14) QG2 THR 54 + H SER 50 OK 46 85 100 54 5.5-5.8 9278/6621=25...(5) QG2 THR 65 - H SER 60 far 0 91 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 9213 from nnoeabs.peaks (1.33, 8.66, 113.28 ppm; 5.78 A): 1 out of 1 assignment used, quality = 0.94: QB ALA 46 + H SER 50 OK 94 95 100 100 5.0-5.3 10409/11785=88, ~1455=59...(9) 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 7 assignments used, quality = 1.00: HB VAL 126 + H SER 50 OK 88 89 100 100 3.7-4.4 2.1/11785=96...(12) HG3 PRO 58 + H SER 60 OK 80 80 100 100 5.1-5.5 1.8/10978=81...(9) HB3 GLN 61 + H SER 60 OK 74 85 100 87 4.6-4.8 4.0/6750=63, 4.6/6746=27...(7) HB2 GLN 61 + H SER 60 OK 64 89 90 80 5.2-5.8 4.0/6750=63, 4.6/6746=27...(4) HB VAL 57 - H SER 60 far 0 94 0 - 6.3-6.6 HB VAL 112 - H SER 60 far 0 49 0 - 6.9-9.1 HB2 GLU 128 - H SER 50 far 0 99 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 9220 from nnoeabs.peaks (1.43, 7.98, 115.88 ppm; 5.08 A increased from 4.78 A): 1 out of 3 assignments used, quality = 0.93: QB ALA 92 + H SER 94 OK 93 93 100 100 4.6-4.9 7267/3.6=80...(19) HG3 LYS 19 - H SER 94 far 0 90 0 - 9.3-40.7 HG2 LYS 86 - H SER 94 far 0 84 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 9221 from nnoeabs.peaks (1.94, 7.98, 115.88 ppm; 4.37 A increased from 4.11 A): 3 out of 6 assignments used, quality = 0.90: HB2 LYS 95 + H SER 94 OK 66 92 75 96 4.7-5.6 9948/9220=35...(17) HB3 ARG 90 + H SER 94 OK 52 92 100 57 3.9-4.5 3.0/7275=52, 9964/3.6=9 HG LEU 53 + H SER 51 OK 40 99 45 89 4.8-7.0 1662/6658=39, ~10963=34...(10) HB3 LEU 49 - H SER 51 poor 19 63 30 - 4.8-5.4 HB3 LYS 95 - H SER 94 far 0 93 0 - 6.1-6.4 HB2 MET 11 - H SER 94 far 0 71 0 - 6.4-39.3 Violated in 0 structures by 0.00 A. Peak 9223 from nnoeabs.peaks (1.25, 7.99, 115.96 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.97: QG2 THR 54 + H SER 51 OK 90 90 100 100 3.9-4.6 ~1614=80, ~1691=78...(9) QG2 THR 65 + H SER 51 OK 70 71 100 98 5.0-5.6 11703/6610=73...(9) Violated in 0 structures by 0.00 A. Peak 9224 from nnoeabs.peaks (1.47, 7.99, 115.96 ppm; 4.47 A): 2 out of 3 assignments used, quality = 0.95: QB ALA 52 + H SER 51 OK 84 93 100 91 4.1-4.3 6662/6658=53...(10) HB2 LEU 49 + H SER 51 OK 66 66 100 99 4.5-4.9 3.9/6610=53, ~6619=49...(24) HG3 LYS 86 - H SER 94 far 0 100 0 - 9.1-12.4 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 11 assignments used, quality = 0.67: HD3 LYS 95 + H SER 94 OK 53 83 65 98 3.6-6.8 7303/3.4=25, 3.7/9221=22...(21) HD2 LYS 95 + H SER 94 OK 31 92 35 97 4.2-6.6 7303/3.4=26, 3.7/9221=22...(21) HB2 LEU 98 - H SER 94 far 0 95 0 - 6.6-7.9 HB2 LEU 123 - H SER 51 far 0 88 0 - 7.3-8.9 QB ALA 88 - H SER 94 far 0 78 0 - 7.7-8.5 HG LEU 70 - H SER 94 far 0 65 0 - 8.0-9.0 HB2 LEU 122 - H SER 51 far 0 49 0 - 8.5-10.7 HG LEU 62 - H SER 51 far 0 90 0 - 8.6-9.2 HD3 LYS 19 - H SER 94 far 0 97 0 - 9.0-41.6 HD2 LYS 19 - H SER 94 far 0 97 0 - 9.4-41.9 HB2 LEU 122 - H SER 94 far 0 57 0 - 9.6-11.3 Violated in 7 structures by 0.10 A. Peak 9226 from nnoeabs.peaks (2.22, 7.99, 115.96 ppm; 5.19 A): 1 out of 6 assignments used, quality = 0.90: HB3 LEU 96 + H SER 94 OK 90 90 100 100 5.0-5.3 9975/3.4=67...(16) HB3 GLN 127 - H SER 51 far 0 92 0 - 6.0-8.5 HG2 GLU 91 - H SER 94 far 0 99 0 - 6.1-7.4 HB3 GLU 97 - H SER 94 far 0 100 0 - 6.8-7.1 HG2 GLN 68 - H SER 51 far 0 88 0 - 9.5-10.9 HB3 GLU 128 - H SER 94 far 0 100 0 - 9.8-10.7 Violated in 2 structures by 0.01 A. Peak 9227 from nnoeabs.peaks (0.90, 8.03, 125.41 ppm; 3.96 A): 1 out of 7 assignments used, quality = 0.40: QD2 LEU 48 + H ALA 52 OK 40 99 50 81 4.1-5.3 10961/1620=44...(7) QD2 LEU 123 - H ALA 52 far 0 90 0 - 5.5-6.6 QD1 LEU 49 - H ALA 52 far 0 96 0 - 5.6-6.1 QD1 LEU 62 - H ALA 52 far 0 95 0 - 5.8-6.3 QD1 LEU 123 - H ALA 52 far 0 65 0 - 5.8-6.4 QD1 LEU 48 - H ALA 52 far 0 76 0 - 5.9-6.6 QG2 VAL 63 - H ALA 52 far 0 97 0 - 9.8-10.4 Violated in 20 structures by 0.65 A. Peak 9228 from nnoeabs.peaks (0.68, 8.03, 125.41 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 62 + H ALA 52 OK 100 100 100 100 3.8-4.1 10996/2.9=91...(13) QD2 LEU 100 - H ALA 52 far 0 100 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 9233 from nnoeabs.peaks (1.25, 8.03, 125.41 ppm; 5.27 A): 2 out of 2 assignments used, quality = 1.00: QG2 THR 54 + H ALA 52 OK 97 100 100 97 3.9-5.2 6684/6673=69...(8) QG2 THR 65 + H ALA 52 OK 87 89 100 98 4.6-5.2 9432/9228=50, 9446=43...(12) Violated in 0 structures by 0.00 A. Peak 9234 from nnoeabs.peaks (1.94, 8.03, 125.41 ppm; 5.56 A increased from 4.45 A): 2 out of 2 assignments used, quality = 0.87: HB3 LEU 49 + H ALA 52 OK 68 68 100 100 5.0-5.6 4.6/6645=60, 3.0/1544=43...(27) HG LEU 53 + H ALA 52 OK 60 99 60 100 4.2-6.5 9240/2.9=97...(14) Violated in 0 structures by 0.00 A. Peak 9250 from nnoeabs.peaks (1.23, 7.71, 113.84 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.95: QG2 THR 54 + H LEU 53 OK 95 97 100 99 3.0-4.0 1697/6675=73...(8) QG2 THR 65 - H LEU 53 far 0 100 0 - 5.6-6.5 Violated in 0 structures by 0.00 A. Peak 9251 from nnoeabs.peaks (0.66, 7.71, 113.84 ppm; 4.56 A): 1 out of 2 assignments used, quality = 0.96: QD2 LEU 62 + H LEU 53 OK 96 96 100 100 2.8-3.3 9232/6662=79...(12) QD2 LEU 100 - H LEU 53 far 0 92 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 9261 from nnoeabs.peaks (8.00, 7.75, 122.78 ppm; 5.56 A increased from 4.68 A): 2 out of 3 assignments used, quality = 0.97: H VAL 57 + H GLU 55 OK 93 100 100 93 5.3-5.6 4.1/9280=70, 4.1/9279=47...(7) H ALA 52 + H GLU 55 OK 58 65 100 89 4.7-5.4 2.9/9264=55, 2.9/9267=49...(5) H SER 51 - H GLU 55 far 0 87 0 - 6.2-6.9 Violated in 0 structures by 0.00 A. Peak 9264 from nnoeabs.peaks (4.15, 7.75, 122.78 ppm; 3.98 A): 2 out of 3 assignments used, quality = 0.89: HA ALA 52 + H GLU 55 OK 77 81 100 95 3.0-3.7 11905/6692=36...(10) HA LEU 53 + H GLU 55 OK 55 68 100 80 3.5-4.2 3.6/6687=65...(6) HA3 GLY 114 - H GLU 55 far 0 60 0 - 7.4-10.1 Violated in 0 structures by 0.00 A. Peak 9266 from nnoeabs.peaks (3.67, 7.75, 122.78 ppm; 4.85 A increased from 4.31 A): 2 out of 2 assignments used, quality = 0.98: HD2 PRO 56 + H GLU 55 OK 92 92 100 100 4.7-4.8 4.8=100 HD3 PRO 56 + H GLU 55 OK 76 76 100 100 5.0-5.1 4.8=100 Violated in 0 structures by 0.00 A. Peak 9267 from nnoeabs.peaks (1.50, 7.75, 122.78 ppm; 4.71 A): 2 out of 3 assignments used, quality = 0.86: QB ALA 52 + H GLU 55 OK 72 81 100 90 4.2-4.5 2.1/9264=52...(8) HB2 LEU 53 + H GLU 55 OK 51 81 80 79 4.9-5.6 4.6/6687=66, 3.0/9264=32 HB2 LEU 49 - H GLU 55 far 0 100 0 - 9.4-10.0 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 3.1-5.6 4.9/6687=70, 11227=54...(7) HG3 GLN 61 - H THR 54 far 0 60 0 - 8.3-9.7 Violated in 2 structures by 0.03 A. Peak 9279 from nnoeabs.peaks (0.93, 7.75, 122.78 ppm; 5.17 A increased from 4.14 A): 2 out of 7 assignments used, quality = 0.92: QG1 VAL 57 + H GLU 55 OK 89 89 100 100 4.7-5.1 2.1/9280=85...(8) QD1 LEU 62 + H GLU 55 OK 33 87 75 51 5.0-6.1 11809/9267=18...(6) QD1 LEU 123 - H GLU 55 far 0 100 0 - 7.0-7.3 QD1 LEU 119 - H GLU 55 far 0 97 0 - 7.5-8.4 QD2 LEU 48 - H GLU 55 far 0 76 0 - 7.9-9.1 QG1 VAL 126 - H GLU 55 far 0 71 0 - 9.4-10.3 QD1 LEU 49 - H GLU 55 far 0 85 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 9280 from nnoeabs.peaks (0.84, 7.75, 122.78 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.77: QG2 VAL 57 + H GLU 55 OK 77 81 100 96 3.4-3.7 9314/3.8=50, 2.1/9279=49...(11) Violated in 0 structures by 0.00 A. Peak 9335 from nnoeabs.peaks (3.98, 6.60, 111.09 ppm; 5.04 A): 1 out of 6 assignments used, quality = 0.71: HB3 SER 107 + HD21 ASN 59 OK 71 73 100 96 2.0-4.3 3.0/11786=65...(10) HB3 SER 106 - HD21 ASN 59 poor 20 99 20 - 4.4-8.7 HB2 SER 106 - HD21 ASN 59 poor 14 87 30 55 5.3-7.4 10096/11424=35...(6) HA SER 60 - HD21 ASN 59 lone 2 71 45 6 3.1-6.6 3389/11428=3, 3405/11713=2 HA LEU 100 - HD21 ASN 59 far 0 76 0 - 6.7-9.3 HB3 SER 99 - HD21 ASN 59 far 0 81 0 - 8.7-11.2 Violated in 0 structures by 0.00 A. Peak 9338 from nnoeabs.peaks (4.45, 8.66, 113.17 ppm; 4.66 A): 1 out of 7 assignments used, quality = 1.00: HA PRO 58 + H SER 60 OK 100 100 100 100 3.9-4.2 6709/6736=76...(10) HB THR 54 - H SER 50 far 0 86 0 - 7.7-9.3 HA ASN 120 - H SER 50 far 0 56 0 - 8.5-9.2 HA VAL 112 - H SER 60 far 0 57 0 - 8.5-9.8 HA THR 54 - H SER 50 far 0 54 0 - 8.6-9.3 HA SER 106 - H SER 60 far 0 99 0 - 8.7-11.4 HA ASP 64 - H SER 60 far 0 99 0 - 8.7-9.3 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 3 assignments used, quality = 0.98: HG LEU 103 + HD21 ASN 59 OK 97 97 100 100 2.0-5.1 2.1/11424=88, 11428=79...(12) HB2 LEU 103 + HD21 ASN 59 OK 43 97 45 99 5.0-6.4 3.2/11424=75...(12) HB2 LEU 119 - HD21 ASN 59 far 0 81 0 - 6.3-8.7 Violated in 0 structures by 0.00 A. Peak 9341 from nnoeabs.peaks (1.41, 6.60, 111.09 ppm; 5.65 A): 2 out of 3 assignments used, quality = 0.91: QB ALA 109 + HD21 ASN 59 OK 80 81 100 99 2.4-5.6 9356/3.5=73, 9353/3.5=68...(12) QB ALA 108 + HD21 ASN 59 OK 55 71 85 91 5.0-6.6 2.9/11482=79...(7) QB ALA 110 - HD21 ASN 59 far 0 65 0 - 6.4-8.2 Violated in 0 structures by 0.00 A. Peak 9342 from nnoeabs.peaks (0.91, 6.60, 111.09 ppm; 4.44 A): 1 out of 5 assignments used, quality = 0.52: QG2 VAL 63 + HD21 ASN 59 OK 52 100 55 95 2.2-5.8 10967/3.5=57...(12) QD1 LEU 119 - HD21 ASN 59 poor 18 63 55 52 3.4-7.2 2.1/9343=21, ~9348=13...(8) QG2 VAL 112 - HD21 ASN 59 far 10 97 10 - 4.8-7.8 QG1 VAL 118 - HD21 ASN 59 far 0 93 0 - 5.0-6.4 QD1 LEU 62 - HD21 ASN 59 far 0 100 0 - 5.1-6.1 Violated in 11 structures by 0.56 A. Peak 9343 from nnoeabs.peaks (0.79, 6.60, 111.09 ppm; 3.88 A): 2 out of 8 assignments used, quality = 0.99: QD1 LEU 103 + HD21 ASN 59 OK 99 99 100 100 2.2-3.2 11424=70, 11427/1.7=55...(16) QD2 LEU 119 + HD21 ASN 59 OK 32 96 55 61 3.3-5.8 9355/3.5=18, 9363/3.5=17...(7) QG1 VAL 63 - HD21 ASN 59 far 0 99 0 - 4.5-8.2 QD1 LEU 122 - HD21 ASN 59 far 0 87 0 - 6.3-10.4 QD2 LEU 122 - HD21 ASN 59 far 0 100 0 - 6.6-9.3 QD2 LEU 49 - HD21 ASN 59 far 0 99 0 - 8.3-10.6 QD1 LEU 53 - HD21 ASN 59 far 0 100 0 - 8.3-10.6 QD1 LEU 96 - HD21 ASN 59 far 0 89 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 9346 from nnoeabs.peaks (1.39, 7.79, 111.09 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: QB ALA 109 + HD22 ASN 59 OK 100 100 100 100 2.1-5.9 9353/3.5=88, 9356/3.5=72...(14) QB ALA 108 + HD22 ASN 59 OK 92 100 100 93 4.3-6.6 ~11482=81, 9341/1.7=27...(5) QB ALA 110 + HD22 ASN 59 OK 22 99 75 30 5.5-8.2 9349/6720=19, 9356/3.5=8 HB3 LEU 100 - HD22 ASN 59 far 0 97 0 - 8.8-12.8 Violated in 0 structures by 0.00 A. Peak 9347 from nnoeabs.peaks (0.91, 7.79, 111.09 ppm; 5.12 A): 3 out of 5 assignments used, quality = 0.78: QD1 LEU 62 + HD22 ASN 59 OK 48 100 50 97 5.2-7.3 9388/4.4=71...(6) QG2 VAL 63 + HD22 ASN 59 OK 44 100 45 99 2.6-7.0 10967/3.5=72...(8) QD1 LEU 119 + HD22 ASN 59 OK 22 63 55 65 2.3-8.3 9342/1.7=24, 2.1/9348=21...(9) QG2 VAL 112 - HD22 ASN 59 poor 17 97 55 32 3.8-8.1 10732/9346=19...(4) QG1 VAL 118 - HD22 ASN 59 far 5 93 5 - 5.7-7.6 Violated in 0 structures by 0.00 A. Peak 9348 from nnoeabs.peaks (0.78, 7.79, 111.09 ppm; 4.56 A): 2 out of 7 assignments used, quality = 1.00: QD1 LEU 103 + HD22 ASN 59 OK 100 100 100 100 3.3-4.5 11427=95, 11424/1.7=84...(14) QD2 LEU 119 + HD22 ASN 59 OK 38 90 55 76 2.8-6.9 9355/3.5=25, 9363/3.5=23...(9) QG1 VAL 63 - HD22 ASN 59 poor 16 100 30 54 4.7-9.5 ~9342=42, 2.1/9347=21 QD2 LEU 122 - HD22 ASN 59 far 0 100 0 - 7.5-10.2 QD1 LEU 122 - HD22 ASN 59 far 0 78 0 - 7.5-11.1 QD1 LEU 53 - HD22 ASN 59 far 0 98 0 - 8.2-11.6 QD2 LEU 49 - HD22 ASN 59 far 0 96 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 9349 from nnoeabs.peaks (1.39, 8.89, 122.23 ppm; 4.74 A): 2 out of 3 assignments used, quality = 0.93: QB ALA 109 + H ASN 59 OK 90 100 100 90 2.7-4.4 9353/6717=47...(8) QB ALA 110 + H ASN 59 OK 29 100 55 52 4.4-6.2 10930/6711=28...(5) QB ALA 108 - H ASN 59 far 0 100 0 - 6.8-8.1 Violated in 0 structures by 0.00 A. Peak 9350 from nnoeabs.peaks (0.89, 8.89, 122.23 ppm; 5.46 A increased from 4.86 A): 3 out of 4 assignments used, quality = 0.96: QG2 VAL 63 + H ASN 59 OK 77 83 100 93 5.5-6.0 10967/6717=58...(9) QD1 LEU 62 + H ASN 59 OK 76 76 100 100 4.6-5.4 9388/2.9=62, ~11000=57...(27) QG2 VAL 57 + H ASN 59 OK 24 63 100 38 5.2-5.8 9378/11224=16...(4) QG1 VAL 118 - H ASN 59 far 0 98 0 - 7.7-9.1 Violated in 0 structures by 0.00 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 1.8-5.5 9312/9371=78...(7) HB2 LEU 49 - HE22 GLN 61 far 0 93 0 - 8.7-11.6 Violated in 0 structures by 0.00 A. Peak 9371 from nnoeabs.peaks (0.94, 7.56, 111.48 ppm; 4.42 A increased from 4.16 A): 1 out of 12 assignments used, quality = 0.96: QG1 VAL 57 + HE22 GLN 61 OK 96 97 100 100 2.3-4.4 9376/1.7=85, 9377/3.5=61...(15) QD1 LEU 62 - HE22 GLN 61 far 11 73 15 - 3.9-8.6 QD1 LEU 48 - HE22 GLN 61 far 5 93 5 - 5.0-8.9 QD2 LEU 48 - HE22 GLN 61 lone 2 60 35 8 4.2-8.3 9231/9369=7 QD2 LEU 53 - HE22 GLN 61 far 0 60 0 - 5.0-10.3 QG2 VAL 63 - HE22 GLN 61 far 0 65 0 - 5.3-9.5 QD1 LEU 119 - HE22 GLN 61 far 0 100 0 - 7.3-12.6 QD1 LEU 49 - HE22 GLN 61 far 0 71 0 - 7.3-9.3 QG2 VAL 112 - HE22 GLN 61 far 0 93 0 - 8.8-13.3 QD1 LEU 123 - HE22 GLN 61 far 0 97 0 - 9.0-13.0 QG2 VAL 126 - HE22 GLN 61 far 0 68 0 - 9.2-11.9 QG1 VAL 126 - HE22 GLN 61 far 0 85 0 - 9.3-11.7 Violated in 0 structures by 0.00 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 2.1-4.3 9312/9376=95...(6) HB2 LEU 49 - HE21 GLN 61 far 0 78 0 - 8.3-10.9 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 10 assignments used, quality = 0.98: QG1 VAL 57 + HE21 GLN 61 OK 98 99 100 99 2.4-3.5 9371/1.7=67, 9377/3.5=56...(13) QD2 LEU 53 - HE21 GLN 61 far 7 71 10 - 4.0-9.2 QD1 LEU 62 - HE21 GLN 61 far 6 63 10 - 3.3-7.4 QD1 LEU 48 - HE21 GLN 61 far 0 87 0 - 5.4-8.8 QD1 LEU 119 - HE21 GLN 61 far 0 100 0 - 6.9-11.4 QD1 LEU 49 - HE21 GLN 61 far 0 60 0 - 7.2-9.0 QD1 LEU 123 - HE21 GLN 61 far 0 93 0 - 8.8-12.0 QG2 VAL 126 - HE21 GLN 61 far 0 78 0 - 8.8-11.4 QG2 VAL 112 - HE21 GLN 61 far 0 87 0 - 8.9-12.3 QG1 VAL 126 - HE21 GLN 61 far 0 92 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 9380 from nnoeabs.peaks (0.84, 7.56, 111.48 ppm; 6.39 A increased from 6.01 A): 1 out of 2 assignments used, quality = 0.85: QG2 VAL 57 + HE22 GLN 61 OK 85 85 100 100 1.8-6.1 2.1/9371=98, ~9376=94...(13) QD2 LEU 69 - HE22 GLN 61 far 0 68 0 - 8.8-10.5 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 2 assignments used, quality = 0.85: QG2 VAL 57 + HE21 GLN 61 OK 85 85 100 100 1.7-4.7 2.1/9376=100, ~9371=85...(13) QD2 LEU 69 - HE21 GLN 61 far 0 68 0 - 8.7-10.4 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 2 assignments used, quality = 0.95: HB3 LEU 62 + H VAL 63 OK 95 95 100 100 3.0-3.9 4.5=100 QG2 THR 115 - H VAL 63 far 0 76 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 9409 from nnoeabs.peaks (1.39, 7.96, 120.19 ppm; 5.97 A): 0 out of 3 assignments used, quality = 0.00: HB3 LEU 100 - H ASP 64 far 0 93 0 - 7.1-8.0 QB ALA 109 - H ASP 64 far 0 100 0 - 9.5-10.8 QB ALA 110 - H ASP 64 far 0 97 0 - 9.8-11.6 Violated in 20 structures by 1.23 A. Peak 9410 from nnoeabs.peaks (2.10, 7.96, 120.19 ppm; 3.86 A): 0 out of 4 assignments used, quality = 0.00: HB2 GLN 61 - H ASP 64 far 0 100 0 - 5.8-6.0 HB3 GLN 61 - H ASP 64 far 0 100 0 - 5.8-6.1 HB VAL 57 - H ASP 64 far 0 97 0 - 8.0-8.5 HG3 PRO 58 - H ASP 64 far 0 60 0 - 8.4-8.9 Violated in 20 structures by 1.31 A. Peak 9415 from nnoeabs.peaks (0.90, 8.38, 118.14 ppm; 5.24 A increased from 4.19 A): 3 out of 11 assignments used, quality = 1.00: QG2 VAL 63 + H THR 65 OK 96 96 100 100 5.1-5.3 6826/6837=80...(16) QD1 LEU 49 + H THR 65 OK 93 93 100 100 4.8-5.6 9421/6842=82...(13) QD1 LEU 48 + H THR 65 OK 25 71 45 77 5.6-6.2 10957/4.0=38...(7) QD2 LEU 69 - H THR 65 far 0 60 0 - 6.1-6.4 QD2 LEU 48 - H THR 65 far 0 97 0 - 6.1-7.9 QD1 LEU 62 - H THR 65 far 0 92 0 - 6.6-6.8 QG2 VAL 20 - H ASP 35 far 0 96 0 - 8.2-17.1 QG1 VAL 118 - H THR 65 far 0 100 0 - 8.3-9.2 QD1 LEU 22 - H ASP 35 far 0 97 0 - 9.0-16.9 QG1 VAL 20 - H ASP 35 far 0 94 0 - 9.4-19.6 QD1 LEU 123 - H THR 65 far 0 60 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 9416 from nnoeabs.peaks (0.79, 8.38, 118.14 ppm; 4.37 A increased from 4.11 A): 3 out of 11 assignments used, quality = 1.00: QG1 VAL 63 + H THR 65 OK 99 99 100 100 4.5-4.9 6825/6837=66...(17) QD2 LEU 49 + H THR 65 OK 98 99 100 99 4.4-4.8 9431/4.0=63, 9419/2.9=44...(16) QD1 ILE 32 + H ASP 35 OK 83 91 100 91 3.7-4.6 10846/4.0=46...(7) QD1 ILE 37 - H ASP 35 far 5 93 5 - 4.6-5.8 QD1 LEU 122 - H THR 65 far 0 87 0 - 5.4-8.3 QD2 LEU 122 - H THR 65 far 0 100 0 - 6.3-8.4 QD1 LEU 53 - H THR 65 far 0 100 0 - 6.7-7.7 QD1 LEU 96 - H THR 65 far 0 89 0 - 6.8-7.2 QD1 LEU 103 - H THR 65 far 0 99 0 - 7.5-8.4 QD2 LEU 119 - H THR 65 far 0 96 0 - 7.9-8.5 QD1 LEU 70 - H THR 65 far 0 57 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 9417 from nnoeabs.peaks (0.67, 8.38, 118.14 ppm; 4.85 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 100 + H THR 65 OK 98 100 100 99 4.4-4.9 9384/3.5=73...(13) QD2 LEU 62 + H THR 65 OK 96 100 100 96 4.8-5.2 1998/6834=76...(5) 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 3 assignments used, quality = 0.98: HB VAL 63 + H THR 65 OK 98 98 100 100 4.7-4.8 6824/6837=82...(12) HG2 PRO 58 - H THR 65 far 0 93 0 - 7.7-8.3 HB3 LEU 53 - H THR 65 far 0 85 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 9433 from nnoeabs.peaks (0.89, 8.90, 110.50 ppm; 4.00 A): 1 out of 8 assignments used, quality = 0.84: QD1 LEU 49 + H GLY 66 OK 84 87 100 97 3.3-4.4 9421/6853=45...(15) QD2 LEU 69 - H GLY 66 far 0 71 0 - 4.9-5.2 QG2 VAL 63 - H GLY 66 far 0 90 0 - 5.0-5.2 QD1 LEU 62 - H GLY 66 far 0 85 0 - 6.1-6.5 QD1 LEU 48 - H GLY 66 far 0 60 0 - 6.1-6.9 QG1 VAL 118 - H GLY 66 far 0 100 0 - 7.0-7.8 QD2 LEU 48 - H GLY 66 far 0 93 0 - 7.0-8.4 QD2 LEU 123 - H GLY 66 far 0 97 0 - 9.3-10.2 Violated in 4 structures by 0.04 A. Peak 9434 from nnoeabs.peaks (0.80, 8.90, 110.50 ppm; 3.96 A): 3 out of 10 assignments used, quality = 1.00: QD2 LEU 49 + H GLY 66 OK 99 100 100 99 2.5-2.8 2.1/9433=70, 9431/4.4=40...(18) QG1 VAL 63 + H GLY 66 OK 68 89 80 95 4.3-4.7 10974/9384=41...(17) QD1 LEU 122 + H GLY 66 OK 52 99 85 62 3.4-6.2 9487/10045=29...(10) QD2 LEU 122 - H GLY 66 far 0 95 0 - 4.6-6.4 QD1 LEU 96 - H GLY 66 far 0 63 0 - 4.7-5.1 QD1 LEU 53 - H GLY 66 far 0 99 0 - 5.5-6.4 QD1 LEU 103 - H GLY 66 far 0 87 0 - 7.0-7.6 QD2 LEU 119 - H GLY 66 far 0 100 0 - 7.5-8.3 QD1 LEU 70 - H GLY 66 far 0 85 0 - 8.3-8.7 QG2 ILE 129 - H GLY 66 far 0 78 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 9435 from nnoeabs.peaks (0.67, 8.90, 110.50 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 100 + H GLY 66 OK 100 100 100 100 2.7-3.1 9384=99, 2.1/10045=52...(17) QD2 LEU 62 - H GLY 66 poor 20 100 20 - 4.7-5.2 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 99 4.7-4.9 3.6/6845=92...(10) HA2 GLY 66 + H THR 65 OK 90 92 100 98 5.1-5.3 3.6/6845=92...(8) HD2 PRO 58 - H THR 65 far 0 71 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 9452 from nnoeabs.peaks (2.22, 8.65, 120.06 ppm; 5.18 A): 2 out of 10 assignments used, quality = 0.99: HB2 GLN 68 + H HIS 67 OK 93 100 95 98 4.6-6.3 3.7/6872=84...(11) HG2 GLN 68 + H HIS 67 OK 91 98 95 98 4.1-6.5 2150/6872=79...(13) HB3 GLU 128 - H HIS 8 far 4 75 5 - 5.6-54.4 HB3 GLN 104 - H HIS 67 far 0 100 0 - 6.8-7.7 HB3 GLU 97 - H HIS 67 far 0 99 0 - 7.8-9.1 HB3 GLN 104 - H HIS 8 far 0 76 0 - 8.0-52.5 HB3 GLN 127 - H HIS 8 far 0 75 0 - 8.2-58.4 HB3 LEU 96 - H HIS 67 far 0 93 0 - 9.1-9.7 HB2 GLN 101 - H HIS 67 far 0 90 0 - 9.6-10.8 HB2 GLN 101 - H HIS 8 far 0 63 0 - 9.9-45.4 Violated in 0 structures by 0.00 A. Peak 9458 from nnoeabs.peaks (1.69, 8.65, 120.06 ppm; 5.43 A increased from 4.83 A): 1 out of 6 assignments used, quality = 0.73: HB3 LEU 70 + H HIS 67 OK 73 73 100 100 5.1-5.5 3.2/11100=71, ~11089=53...(23) HB2 LEU 69 - H HIS 67 far 0 78 0 - 6.1-6.6 HG LEU 98 - H HIS 8 far 0 58 0 - 6.2-46.9 HB2 LEU 70 - H HIS 67 far 0 81 0 - 6.8-7.3 HG2 ARG 135 - H HIS 8 far 0 56 0 - 8.1-58.4 HG LEU 48 - H HIS 67 far 0 76 0 - 9.9-11.2 Violated in 1 structures by 0.00 A. Peak 9460 from nnoeabs.peaks (0.80, 8.65, 120.06 ppm; 4.00 A): 2 out of 13 assignments used, quality = 0.99: QG1 VAL 63 + H HIS 67 OK 92 95 100 98 3.6-3.9 10974/9461=44...(13) QD2 LEU 49 + H HIS 67 OK 91 100 100 91 4.3-4.5 9208/3.6=28, 9208/3.6=28...(15) QD1 LEU 122 - H HIS 67 poor 19 97 20 - 4.3-6.7 QD1 LEU 96 - H HIS 67 far 0 73 0 - 4.7-5.1 QD2 LEU 122 - H HIS 67 far 0 98 0 - 5.8-6.9 QD1 LEU 70 - H HIS 67 far 0 76 0 - 6.7-7.2 QD1 LEU 53 - H HIS 67 far 0 100 0 - 7.6-8.6 QD1 LEU 103 - H HIS 67 far 0 93 0 - 8.2-8.7 QG1 VAL 63 - H HIS 8 far 0 67 0 - 8.5-44.0 QD2 LEU 119 - H HIS 67 far 0 100 0 - 9.2-10.2 QD2 LEU 122 - H HIS 8 far 0 71 0 - 9.6-43.1 QG2 ILE 129 - H HIS 8 far 0 44 0 - 9.8-42.1 QG2 ILE 129 - H HIS 67 far 0 68 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 9461 from nnoeabs.peaks (0.68, 8.65, 120.06 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 100 + H HIS 67 OK 100 100 100 100 2.2-2.9 10990=94, 2.1/11037=67...(19) QD2 LEU 62 - H HIS 67 far 0 100 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 9474 from nnoeabs.peaks (0.81, 7.86, 121.44 ppm; 5.81 A increased from 5.16 A): 3 out of 11 assignments used, quality = 1.00: QD2 LEU 49 + H GLN 68 OK 94 96 100 98 5.4-5.9 9419/2064=52...(10) QG2 ILE 80 + H ALA 88 OK 78 79 100 98 5.6-6.4 9831/7170=58...(12) QG1 VAL 63 + H GLN 68 OK 67 68 100 98 5.7-6.0 9465/6882=60...(8) QD1 LEU 122 - H GLN 68 far 15 100 15 - 6.1-8.5 QG2 ILE 129 - H ALA 88 far 0 72 0 - 7.0-7.9 QD1 LEU 70 - H GLN 68 far 0 97 0 - 7.1-7.3 QD2 LEU 122 - H GLN 68 far 0 78 0 - 7.6-8.6 HG13 ILE 80 - H ALA 88 far 0 69 0 - 8.5-9.3 QD1 LEU 53 - H GLN 68 far 0 92 0 - 8.8-9.9 QG2 ILE 129 - H GLN 68 far 0 95 0 - 9.5-10.3 QG1 VAL 133 - H ALA 88 far 0 44 0 - 9.6-10.3 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 4.5-4.9 2074/2064=87...(11) QG2 THR 83 + H ALA 88 OK 75 75 100 100 5.7-6.4 11240/7170=82...(7) HG12 ILE 80 - H ALA 88 far 0 62 0 - 7.1-8.5 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 3 assignments used, quality = 1.00: QG1 VAL 132 + H ALA 88 OK 99 99 100 100 3.2-3.7 10533/7185=56...(22) QG2 VAL 132 + H ALA 88 OK 60 100 60 100 4.5-5.1 9861/7185=44...(21) HB3 LEU 62 - H GLN 68 far 0 77 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 9477 from nnoeabs.peaks (1.98, 7.86, 121.70 ppm; 5.27 A increased from 4.96 A): 2 out of 3 assignments used, quality = 0.98: HB2 GLU 91 + H ALA 88 OK 93 93 100 100 4.6-5.2 2748/2.9=82...(23) HB3 LYS 86 + H ALA 88 OK 66 68 100 97 4.8-5.8 4.6/7170=74, 4.0/7175=59...(9) HG2 PRO 81 - H ALA 88 far 0 87 0 - 9.1-13.3 Violated in 0 structures by 0.00 A. Peak 9483 from nnoeabs.peaks (2.20, 8.46, 121.15 ppm; 5.79 A increased from 4.88 A): 2 out of 3 assignments used, quality = 0.97: HB3 GLN 68 + H LEU 70 OK 83 83 100 100 5.6-5.8 3.0/6938=90, 3.7/6894=77...(16) HB2 GLN 68 + H LEU 70 OK 81 81 100 100 5.4-5.7 3.0/6938=90, 3.7/6894=77...(17) HB3 GLU 97 - H LEU 70 poor 17 87 20 - 5.9-7.4 Violated in 0 structures by 0.00 A. Peak 9491 from nnoeabs.peaks (2.20, 8.14, 121.15 ppm; 5.57 A): 2 out of 3 assignments used, quality = 0.97: HB2 GLN 68 + H ASP 71 OK 85 85 100 100 5.3-6.1 3.0/6956=90, 4.4/6932=62...(18) HB3 GLN 68 + H ASP 71 OK 78 78 100 100 5.4-5.9 3.0/6956=90...(18) HB3 GLU 97 - H ASP 71 far 0 90 0 - 7.1-8.4 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 4.4-5.1 2291/3.4=91...(16) HB2 ASN 13 - H LEU 70 far 0 96 0 - 9.2-37.6 Violated in 0 structures by 0.00 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 4.8-6.6 3.0/6955=93, ~6936=69...(8) HB3 TYR 72 + H ASP 71 OK 99 100 100 99 5.4-6.5 4.4/6970=79, ~6983=77...(5) HB3 CYS 73 + H ASP 71 OK 81 81 100 100 6.4-7.0 3.8/6970=86...(9) HA VAL 63 - H ASP 71 far 0 73 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 9520 from nnoeabs.peaks (1.50, 8.32, 120.30 ppm; 5.99 A increased from 5.64 A): 1 out of 2 assignments used, quality = 0.96: HG LEU 42 + H TYR 72 OK 96 96 100 100 5.5-5.9 2.1/9524=90...(17) HG LEU 69 - H TYR 72 far 0 90 0 - 6.8-7.1 Violated in 0 structures by 0.00 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 4.2-4.7 2208/6973=73...(18) QG2 VAL 133 - H TYR 72 far 0 78 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 9523 from nnoeabs.peaks (0.81, 8.32, 120.30 ppm; 6.05 A increased from 5.38 A): 1 out of 6 assignments used, quality = 1.00: QD1 LEU 70 + H TYR 72 OK 100 100 100 100 5.6-6.1 2267/3.4=85, 4.3/6974=78...(19) QG2 ILE 129 - H TYR 72 poor 20 99 20 - 6.5-7.3 QD2 LEU 49 - H TYR 72 far 0 87 0 - 8.1-8.6 QD1 LEU 122 - H TYR 72 far 0 99 0 - 8.8-10.4 QG1 VAL 133 - H TYR 72 far 0 78 0 - 9.4-9.8 QD2 LEU 122 - H TYR 72 far 0 63 0 - 9.7-11.9 Violated in 1 structures by 0.00 A. Peak 9524 from nnoeabs.peaks (0.63, 8.32, 120.30 ppm; 5.38 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + H TYR 72 OK 100 100 100 100 3.7-4.2 9115/2.9=80, 9091/3.8=78...(17) QD1 ILE 129 - H TYR 72 far 0 99 0 - 7.2-8.1 Violated in 0 structures by 0.00 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 4.0-5.3 9538/2.9=84...(9) HE ARG 90 - H CYS 73 far 0 85 0 - 7.4-11.1 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 2 assignments used, quality = 0.88: * HG CYS 73 + H CYS 73 OK 88 100 100 88 2.4-3.1 11831/3.5=34, 5.2=33...(9) HB2 CYS 45 - H CYS 73 far 0 100 0 - 6.4-7.1 Violated in 0 structures by 0.00 A. Peak 9557 from nnoeabs.peaks (2.94, 8.41, 115.94 ppm; 4.98 A increased from 4.43 A): 1 out of 5 assignments used, quality = 1.00: HG CYS 73 + H SER 74 OK 100 100 100 100 4.6-4.9 9555/7007=81...(9) HE3 LYS 19 - H SER 74 far 0 71 0 - 7.7-37.6 HE2 LYS 19 - H SER 74 far 0 85 0 - 7.9-37.0 HB2 CYS 45 - H SER 74 far 0 100 0 - 9.3-10.0 HE3 LYS 26 - H SER 74 far 0 63 0 - 9.6-18.1 Violated in 0 structures by 0.00 A. Peak 9561 from nnoeabs.peaks (1.70, 8.85, 116.83 ppm; 6.37 A): 2 out of 3 assignments used, quality = 0.99: HB2 LEU 70 + H CYS 73 OK 95 95 100 100 4.9-5.6 3.0/6989=96, 4.3/6970=73...(14) HB3 LEU 70 + H CYS 73 OK 90 90 100 100 5.2-5.7 3.0/6989=96, 4.3/6970=73...(14) HD3 LYS 36 - H CYS 73 far 0 60 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 9562 from nnoeabs.peaks (1.51, 8.85, 116.83 ppm; 5.57 A): 1 out of 2 assignments used, quality = 0.65: HG LEU 42 + H CYS 73 OK 65 65 100 100 4.5-5.3 2.1/9565=92, ~9570=68...(16) HG LEU 69 - H CYS 73 far 10 100 10 - 6.1-6.5 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 3.4-3.9 11084=100, 9522/3.5=61...(23) Violated in 0 structures by 0.00 A. Peak 9564 from nnoeabs.peaks (0.76, 8.85, 116.83 ppm; 4.87 A increased from 4.58 A): 2 out of 7 assignments used, quality = 0.99: QG1 VAL 93 + H CYS 73 OK 93 93 100 100 4.3-4.7 11422/2.9=64...(16) QD2 LEU 96 + H CYS 73 OK 90 92 100 98 4.7-5.1 11037/11084=56...(9) QD1 ILE 37 - H CYS 73 far 9 92 10 - 5.3-6.1 QD1 LEU 96 - H CYS 73 far 0 99 0 - 5.8-6.8 HG12 ILE 129 - H CYS 73 far 0 93 0 - 7.1-9.4 QD2 LEU 43 - H CYS 73 far 0 98 0 - 7.9-9.4 QD2 LEU 122 - H CYS 73 far 0 76 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 9565 from nnoeabs.peaks (0.63, 8.85, 116.83 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + H CYS 73 OK 100 100 100 100 2.4-3.3 9570/2.9=80, 9104=59...(20) QD1 ILE 129 - H CYS 73 far 0 99 0 - 5.6-6.5 Violated in 0 structures by 0.00 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 4.5-4.6 11328=96, 9955/2.9=90...(19) QD1 ILE 80 - H CYS 73 far 0 65 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. Peak 9575 from nnoeabs.peaks (0.77, 8.41, 115.94 ppm; 4.60 A): 1 out of 8 assignments used, quality = 0.80: QG1 VAL 93 + H SER 74 OK 80 81 100 100 3.3-3.8 2.1/9576=65, 9590/2.9=60...(16) QD2 LEU 96 - H SER 74 far 4 78 5 - 5.0-5.7 QD1 ILE 37 - H SER 74 far 0 99 0 - 5.9-7.0 QD1 LEU 96 - H SER 74 far 0 100 0 - 6.8-7.8 HG12 ILE 129 - H SER 74 far 0 81 0 - 8.5-10.1 QD2 LEU 49 - H SER 74 far 0 68 0 - 9.3-10.1 QD2 LEU 43 - H SER 74 far 0 90 0 - 9.5-11.1 QD2 LEU 122 - H SER 74 far 0 90 0 - 9.8-12.2 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 4.2-4.6 2.1/9575=85, 9955/3.6=73...(14) QD1 ILE 80 - H SER 74 far 0 85 0 - 6.9-7.3 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 4.6-5.2 ~11195=90, 9592/2.9=86...(10) QD1 LEU 69 + H SER 74 OK 59 60 100 98 5.5-6.1 9968/9576=84...(8) QG2 VAL 133 - H SER 74 far 0 100 0 - 7.8-8.2 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 3 assignments used, quality = 0.80: H TYR 76 + H SER 74 OK 80 83 100 97 4.0-4.2 3.1/7014=86...(7) H ALA 16 - H SER 74 far 0 99 0 - 6.4-38.3 H CYS 79 - H SER 74 far 0 83 0 - 8.3-8.5 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 = 0.96: H VAL 77 + H GLY 75 OK 92 96 100 96 3.6-4.0 11147=79, 4.0/9593=40...(6) H ASP 78 + H GLY 75 OK 44 65 85 79 5.0-5.3 4.5/11147=44...(5) 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 5 assignments used, quality = 0.97: HB3 TYR 76 + H GLY 75 OK 97 97 100 100 4.3-4.8 7029/3.1=93, ~7028=85...(7) HD2 ARG 90 - H GLY 75 poor 17 57 75 39 6.1-7.6 11305/9593=18...(3) HD3 ARG 90 - H GLY 75 poor 16 63 25 - 6.0-8.4 HD3 ARG 23 - H GLY 75 far 0 65 0 - 8.3-26.4 HD2 ARG 23 - H GLY 75 far 0 65 0 - 8.7-26.1 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 2 assignments used, quality = 0.99: HB2 TYR 76 + H GLY 75 OK 95 96 100 100 4.3-4.7 7028/3.1=86, ~7029=73...(10) HB2 CYS 73 + H GLY 75 OK 75 76 100 99 4.4-4.6 4.4/7014=79, 3.0/9539=59...(8) 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 4.2-4.7 11188/3.6=84...(15) QG2 VAL 133 - H GLY 75 far 0 99 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 9595 from nnoeabs.peaks (0.77, 7.79, 107.45 ppm; 5.39 A increased from 4.79 A): 2 out of 6 assignments used, quality = 1.00: QD1 ILE 37 + H GLY 75 OK 98 98 100 100 4.1-5.2 9608/2.9=81, 9604/2.9=70...(10) QG1 VAL 93 + H GLY 75 OK 81 83 100 98 5.3-5.8 9575/7014=74...(8) QD2 LEU 96 - H GLY 75 far 0 81 0 - 6.9-7.6 QD1 LEU 96 - H GLY 75 far 0 100 0 - 8.5-9.5 QD2 LEU 43 - H GLY 75 far 0 92 0 - 9.6-11.0 QD1 ILE 32 - H GLY 75 far 0 99 0 - 9.6-11.8 Violated in 0 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 4.3-4.5 7042/3.1=96, 2.1/9611=93...(21) HB VAL 77 - H ALA 16 far 0 46 0 - 9.2-39.5 HG3 GLN 27 - H ALA 16 far 0 36 0 - 9.4-26.7 HG3 GLN 68 - H TYR 76 far 0 89 0 - 9.5-10.6 HG2 GLN 27 - H ALA 16 far 0 42 0 - 9.7-25.9 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 3 assignments used, quality = 1.00: QD1 LEU 42 + H TYR 76 OK 100 100 100 100 3.4-3.7 9103=68, 9092/7029=61...(12) QD1 ILE 129 - H TYR 76 far 0 100 0 - 7.7-8.5 QD1 LEU 42 - H ALA 16 far 0 47 0 - 9.9-34.4 Violated in 0 structures by 0.00 A. Peak 9610 from nnoeabs.peaks (0.79, 8.04, 121.95 ppm; 5.36 A): 1 out of 6 assignments used, quality = 0.98: QD1 ILE 37 + H TYR 76 OK 98 98 100 100 3.5-5.1 9026/3.1=70, 9608/3.5=67...(13) QG2 ILE 80 - H ALA 16 far 0 26 0 - 7.1-35.6 QG2 ILE 80 - H TYR 76 far 0 68 0 - 7.8-8.1 QD1 ILE 37 - H ALA 16 far 0 45 0 - 8.3-29.6 QD1 LEU 96 - H TYR 76 far 0 90 0 - 9.2-10.3 QD1 ILE 32 - H TYR 76 far 0 97 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 9611 from nnoeabs.peaks (1.06, 8.04, 121.95 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: QG1 VAL 77 + H TYR 76 OK 100 100 100 100 3.9-4.5 7043/3.1=87...(23) QG2 VAL 133 - H TYR 76 far 0 85 0 - 5.9-6.7 QG1 VAL 77 - H ALA 16 far 0 48 0 - 7.2-31.3 Violated in 0 structures by 0.00 A. Peak 9612 from nnoeabs.peaks (1.20, 8.04, 121.95 ppm; 5.76 A increased from 5.12 A): 1 out of 7 assignments used, quality = 0.92: QG2 VAL 77 + H TYR 76 OK 92 92 100 100 5.5-5.6 2.1/9611=96, 2.1/9601=85...(20) QG2 THR 18 - H ALA 16 far 3 28 10 - 4.7-8.8 QG2 THR 25 - H ALA 16 far 0 45 0 - 6.7-19.3 QB ALA 41 - H TYR 76 far 0 68 0 - 7.2-8.1 QG2 THR 25 - H TYR 76 far 0 98 0 - 7.3-16.2 HG12 ILE 80 - H TYR 76 far 0 92 0 - 7.7-8.7 QG2 VAL 77 - H ALA 16 far 0 39 0 - 8.3-33.7 Violated in 0 structures by 0.00 A. Peak 9636 from nnoeabs.peaks (0.81, 7.54, 116.56 ppm; 5.67 A): 3 out of 5 assignments used, quality = 1.00: HG13 ILE 80 + H VAL 77 OK 96 96 100 100 4.4-5.8 ~9725=77, ~9725=72...(28) QG2 ILE 129 + H VAL 77 OK 89 97 100 92 5.5-5.9 11142/11751=61...(8) QG2 ILE 80 + H VAL 77 OK 50 100 50 100 6.1-6.5 ~9725=62, ~9725=58...(26) QG1 VAL 133 - H VAL 77 far 0 71 0 - 6.8-7.8 QD1 LEU 70 - H VAL 77 far 0 99 0 - 7.5-8.5 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 3.6-3.8 9725/3.0=91...(33) QG2 VAL 93 + H VAL 77 OK 79 83 100 96 4.9-5.3 9969/7044=49...(11) 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 3.5-4.5 9677/7044=85...(17) Violated in 0 structures by 0.00 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 4.0-4.1 9703=99, 7066/7059=77...(9) Violated in 0 structures by 0.00 A. Peak 9681 from nnoeabs.peaks (6.49, 7.58, 116.40 ppm; 5.87 A increased from 5.53 A): 1 out of 2 assignments used, quality = 0.98: QD TYR 76 + H ASP 78 OK 98 98 100 100 5.3-5.6 11169/7053=79...(10) QE TYR 76 - H ASP 78 far 0 81 0 - 7.0-7.2 Violated in 0 structures by 0.00 A. Peak 9687 from nnoeabs.peaks (4.11, 7.58, 116.40 ppm; 5.34 A): 1 out of 3 assignments used, quality = 1.00: HA CYS 79 + H ASP 78 OK 100 100 100 100 5.2-5.3 2.9/7059=97, 3.6/9680=78...(6) HA ILE 80 - H ASP 78 far 0 90 0 - 6.4-6.6 HA PHE 89 - H ASP 78 far 0 76 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 9689 from nnoeabs.peaks (0.27, 7.58, 116.40 ppm; 6.15 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + H ASP 78 OK 100 100 100 100 4.7-4.9 9725/3.6=99...(15) QG2 VAL 93 - H ASP 78 far 0 90 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 9690 from nnoeabs.peaks (0.81, 7.58, 116.40 ppm; 6.32 A increased from 5.94 A): 2 out of 6 assignments used, quality = 1.00: QG2 ILE 80 + H ASP 78 OK 100 100 100 100 6.1-6.3 4.0/9680=89, 3.1/9689=75...(9) HG13 ILE 80 + H ASP 78 OK 96 96 100 100 5.7-6.7 4.4/9680=85, 2.1/9689=84...(8) QG2 ILE 129 - H ASP 78 far 0 97 0 - 7.7-8.1 QG1 VAL 133 - H ASP 78 far 0 71 0 - 8.3-9.6 QD1 LEU 70 - H ASP 78 far 0 99 0 - 8.7-9.8 QD2 LEU 22 - H ASP 78 far 0 57 0 - 9.1-21.0 Violated in 0 structures by 0.00 A. Peak 9696 from nnoeabs.peaks (1.21, 8.04, 116.97 ppm; 4.85 A increased from 4.31 A): 1 out of 3 assignments used, quality = 0.65: QG2 VAL 77 + H CYS 79 OK 65 65 100 100 4.6-4.8 2.1/9697=83, 4.3/7059=71...(19) HG12 ILE 80 - H CYS 79 far 0 100 0 - 5.9-6.3 QG2 THR 25 - H CYS 79 far 0 81 0 - 8.8-16.2 Violated in 0 structures by 0.00 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 3.8-3.9 7052/7059=84...(19) QG2 VAL 133 - H CYS 79 far 0 68 0 - 6.3-7.3 Violated in 0 structures by 0.00 A. Peak 9698 from nnoeabs.peaks (0.82, 8.04, 116.97 ppm; 5.24 A increased from 4.41 A): 2 out of 5 assignments used, quality = 1.00: HG13 ILE 80 + H CYS 79 OK 100 100 100 100 4.4-5.2 2.1/9699=86, 3.0/9700=84...(19) QG2 ILE 80 + H CYS 79 OK 97 97 100 100 4.9-5.1 2.1/9700=93, 4.0/7066=86...(18) QG1 VAL 133 - H CYS 79 far 0 95 0 - 7.1-8.5 QG2 ILE 129 - H CYS 79 far 0 100 0 - 8.2-8.5 QD2 LEU 22 - H CYS 79 far 0 87 0 - 8.5-21.1 Violated in 0 structures by 0.00 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 4.4-4.6 3.2/9700=71...(24) QG2 VAL 93 - H CYS 79 far 0 100 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 9700 from nnoeabs.peaks (1.75, 8.04, 116.97 ppm; 4.31 A): 1 out of 5 assignments used, quality = 0.93: HB ILE 80 + H CYS 79 OK 93 95 100 98 3.8-3.9 7073/7066=67...(13) HB2 LYS 19 - H CYS 79 far 0 100 0 - 6.9-32.8 HG3 ARG 90 - H CYS 79 far 0 87 0 - 8.2-8.7 HB2 ARG 23 - H CYS 79 far 0 100 0 - 8.3-24.5 HB2 LYS 39 - H CYS 79 far 0 97 0 - 9.0-11.4 Violated in 0 structures by 0.00 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 3.5-3.6 3.6/7059=82, 3.2/9697=69...(14) 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 4.0-4.1 9680=98, 7059/7066=76...(9) 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 4.3-4.8 9746/7077=80...(14) 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 = 0.98: QD TYR 76 + H CYS 79 OK 94 95 100 100 4.3-4.8 3.1/11162=71...(13) QE TYR 76 + H CYS 79 OK 70 89 80 99 5.4-5.8 4.7/11162=54...(14) 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 4.4-4.6 7052/9680=98...(10) QG2 VAL 133 + H ILE 80 OK 77 78 100 99 5.3-6.3 10588/7077=66...(11) 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 4 assignments used, quality = 0.81: HG2 LYS 86 + H ILE 80 OK 81 83 100 98 3.8-5.5 9720/7077=79...(6) QB ALA 34 - H ILE 80 far 8 78 10 - 5.7-8.0 HG3 LYS 19 - H ILE 80 far 0 100 0 - 7.9-34.0 HG3 LYS 24 - H ILE 80 far 0 100 0 - 9.1-25.7 Violated in 3 structures by 0.02 A. Peak 9712 from nnoeabs.peaks (3.45, 6.96, 123.17 ppm; 5.18 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 77 + H ILE 80 OK 100 100 100 100 2.9-3.2 9668=98, 9725/7077=82...(16) 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 4.6-4.7 4.8=100 HA LYS 86 + H ILE 80 OK 84 85 100 99 5.2-5.7 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 2 assignments used, quality = 0.97: HA ASP 78 + H ILE 80 OK 97 99 100 99 4.1-4.3 3.6/7066=82, 2.9/9703=73...(5) HA CYS 73 - H ILE 80 far 0 98 0 - 7.1-8.0 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 3 assignments used, quality = 1.00: HG3 GLN 82 + H ARG 84 OK 99 99 100 100 3.7-5.1 2.9/9778=76...(12) HG2 GLN 82 + H ARG 84 OK 94 94 100 100 3.2-5.0 2.9/9778=76...(13) HG2 MET 11 - H ARG 84 far 0 92 0 - 8.1-50.9 Violated in 0 structures by 0.00 A. Peak 9778 from nnoeabs.peaks (2.21, 9.00, 120.08 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.96: HB2 GLN 82 + H ARG 84 OK 96 97 100 99 2.9-4.3 1.8/11198=55...(9) Violated in 0 structures by 0.00 A. Peak 9779 from nnoeabs.peaks (4.61, 9.00, 120.08 ppm; 5.26 A): 1 out of 1 assignment used, quality = 0.97: HA GLN 82 + H ARG 84 OK 97 97 100 100 3.7-4.3 3.0/9778=82...(12) Violated in 0 structures by 0.00 A. Peak 9787 from nnoeabs.peaks (0.82, 7.27, 117.40 ppm; 5.18 A): 1 out of 4 assignments used, quality = 1.00: QG2 ILE 80 + H ASN 85 OK 100 100 100 100 3.3-3.7 11236/3.6=87...(16) HG13 ILE 80 - H ASN 85 far 0 100 0 - 6.4-7.4 QG1 VAL 133 - H ASN 85 far 0 87 0 - 7.7-8.7 QG2 ILE 129 - H ASN 85 far 0 100 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 9796 from nnoeabs.peaks (2.45, 7.25, 114.49 ppm; 4.44 A): 2 out of 3 assignments used, quality = 1.00: HG2 GLN 82 + HD21 ASN 85 OK 97 97 100 100 2.4-4.4 2.9/9798=69, 2.9/9797=63...(25) HG3 GLN 82 + HD21 ASN 85 OK 95 100 95 100 2.5-5.2 2.9/9798=69, 2.9/9797=63...(23) HG3 GLU 128 - HD21 ASN 85 far 0 57 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 9797 from nnoeabs.peaks (2.21, 7.25, 114.49 ppm; 4.47 A): 1 out of 2 assignments used, quality = 0.98: HB2 GLN 82 + HD21 ASN 85 OK 98 98 100 100 2.0-4.9 1.8/9798=86...(20) HB VAL 133 - HD21 ASN 85 far 0 81 0 - 6.0-9.6 Violated in 4 structures by 0.04 A. Peak 9798 from nnoeabs.peaks (2.08, 7.25, 114.49 ppm; 4.14 A): 1 out of 4 assignments used, quality = 0.76: HB3 GLN 82 + HD21 ASN 85 OK 76 95 80 100 2.4-5.4 1.8/9797=68, 9805/1.7=64...(18) HG3 PRO 81 - HD21 ASN 85 poor 16 65 25 - 3.0-8.9 HG3 GLN 134 - HD21 ASN 85 far 0 100 0 - 7.2-10.9 HB3 LYS 39 - HD21 ASN 85 far 0 100 0 - 9.0-13.3 Violated in 4 structures by 0.18 A. Peak 9799 from nnoeabs.peaks (1.82, 7.25, 114.49 ppm; 5.12 A): 2 out of 3 assignments used, quality = 1.00: HB3 ARG 135 + HD21 ASN 85 OK 99 100 100 99 1.9-3.7 1.8/11279=69...(9) HB2 ARG 84 + HD21 ASN 85 OK 74 97 90 85 2.6-7.0 9807/1.7=21...(15) HB2 LYS 86 - HD21 ASN 85 far 0 71 0 - 7.6-9.6 Violated in 0 structures by 0.00 A. Peak 9800 from nnoeabs.peaks (1.69, 7.25, 114.49 ppm; 5.28 A): 1 out of 3 assignments used, quality = 0.85: HG2 ARG 135 + HD21 ASN 85 OK 85 85 100 100 2.5-5.1 2.9/11279=61...(10) HD3 LYS 39 - HD21 ASN 85 far 0 78 0 - 7.1-12.0 HD2 LYS 39 - HD21 ASN 85 far 0 93 0 - 8.4-11.7 Violated in 0 structures by 0.00 A. Peak 9801 from nnoeabs.peaks (1.14, 7.25, 114.49 ppm; 4.95 A): 1 out of 4 assignments used, quality = 0.96: QG1 VAL 132 + HD21 ASN 85 OK 96 97 100 100 3.7-4.5 11743/3.5=72...(19) QG2 VAL 132 - HD21 ASN 85 far 0 100 0 - 5.8-6.8 HG2 LYS 39 - HD21 ASN 85 far 0 99 0 - 7.7-12.4 HG3 LYS 39 - HD21 ASN 85 far 0 92 0 - 7.8-11.1 Violated in 0 structures by 0.00 A. Peak 9802 from nnoeabs.peaks (0.83, 7.25, 114.49 ppm; 5.32 A increased from 4.73 A): 1 out of 4 assignments used, quality = 0.95: QG2 ILE 80 + HD21 ASN 85 OK 95 95 100 100 3.8-5.2 11236/3.5=83...(21) QG1 VAL 133 - HD21 ASN 85 poor 11 97 25 46 4.6-8.2 ~11929=36, 9810/1.7=11 HG13 ILE 80 - HD21 ASN 85 far 5 100 5 - 5.6-8.5 QG2 ILE 129 - HD21 ASN 85 far 0 100 0 - 7.4-9.9 Violated in 0 structures by 0.00 A. Peak 9803 from nnoeabs.peaks (2.46, 8.08, 114.49 ppm; 4.93 A increased from 4.64 A): 2 out of 2 assignments used, quality = 0.97: HG2 GLN 82 + HD22 ASN 85 OK 90 90 100 100 2.0-5.1 2.9/9805=73...(22) HG3 GLN 82 + HD22 ASN 85 OK 64 99 65 100 1.9-6.0 2.9/9805=73...(20) Violated in 0 structures by 0.00 A. Peak 9804 from nnoeabs.peaks (2.19, 8.08, 114.49 ppm; 5.58 A): 1 out of 2 assignments used, quality = 0.92: HB2 GLN 82 + HD22 ASN 85 OK 92 92 100 100 2.5-4.6 1.8/9805=97, ~9798=86...(17) HB VAL 133 - HD22 ASN 85 far 0 100 0 - 6.2-9.5 Violated in 0 structures by 0.00 A. Peak 9805 from nnoeabs.peaks (2.08, 8.08, 114.49 ppm; 4.60 A increased from 4.33 A): 1 out of 4 assignments used, quality = 0.99: HB3 GLN 82 + HD22 ASN 85 OK 99 99 100 100 2.3-4.8 9798/1.7=88...(18) HG3 GLN 134 - HD22 ASN 85 far 0 100 0 - 7.4-11.1 HG3 GLU 91 - HD22 ASN 85 far 0 73 0 - 8.8-13.1 HB3 LYS 39 - HD22 ASN 85 far 0 99 0 - 9.0-13.8 Violated in 3 structures by 0.01 A. Peak 9806 from nnoeabs.peaks (1.92, 8.08, 114.49 ppm; 6.13 A): 3 out of 3 assignments used, quality = 0.97: HB2 ARG 135 + HD22 ASN 85 OK 93 93 100 100 3.3-5.7 3.7/9816=73...(8) HB3 ARG 84 + HD22 ASN 85 OK 37 96 40 96 3.4-7.3 11320/4.5=52...(16) HB3 PRO 81 + HD22 ASN 85 OK 25 60 65 64 4.5-8.8 ~10238=23, ~10238=22...(6) Violated in 0 structures by 0.00 A. Peak 9807 from nnoeabs.peaks (1.80, 8.08, 114.49 ppm; 6.04 A): 2 out of 3 assignments used, quality = 0.99: HB3 ARG 135 + HD22 ASN 85 OK 89 89 100 100 2.0-4.6 3.7/9816=71, ~9800=67...(9) HB2 ARG 84 + HD22 ASN 85 OK 87 99 95 93 2.2-7.2 9799/1.7=29, 2541/5.3=27...(19) HB2 LYS 86 - HD22 ASN 85 far 15 99 15 - 6.2-9.4 Violated in 0 structures by 0.00 A. Peak 9808 from nnoeabs.peaks (1.68, 8.08, 114.49 ppm; 6.80 A): 1 out of 4 assignments used, quality = 0.84: QB ALA 88 + HD22 ASN 85 OK 84 85 100 99 3.9-6.8 2750/4.5=76, 9853/3.5=74...(8) HD2 LYS 39 - HD22 ASN 85 far 0 100 0 - 7.9-12.3 HD2 LYS 86 - HD22 ASN 85 far 0 81 0 - 8.3-10.6 HD3 LYS 86 - HD22 ASN 85 far 0 81 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. Peak 9809 from nnoeabs.peaks (1.13, 8.08, 114.49 ppm; 5.48 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 132 + HD22 ASN 85 OK 100 100 100 100 2.9-4.2 9801/1.7=89...(19) QG2 VAL 132 + HD22 ASN 85 OK 55 100 55 100 5.4-6.5 ~9801=69, ~11743=59...(18) HG2 LYS 39 - HD22 ASN 85 far 0 100 0 - 6.6-13.1 HG3 LYS 39 - HD22 ASN 85 far 0 76 0 - 7.7-11.7 Violated in 0 structures by 0.00 A. Peak 9810 from nnoeabs.peaks (0.82, 8.08, 114.49 ppm; 4.97 A): 2 out of 4 assignments used, quality = 0.99: QG2 ILE 80 + HD22 ASN 85 OK 98 98 100 100 2.9-4.8 11236/3.5=83...(23) HG13 ILE 80 + HD22 ASN 85 OK 35 100 35 100 5.2-8.0 ~9723=46, ~11222=45...(19) QG1 VAL 133 - HD22 ASN 85 poor 20 93 55 38 4.6-8.2 3.2/11929=33, 9802/1.7=8 QG2 ILE 129 - HD22 ASN 85 far 0 100 0 - 7.5-9.2 Violated in 0 structures by 0.00 A. Peak 9813 from nnoeabs.peaks (0.83, 8.34, 124.24 ppm; 4.07 A): 1 out of 8 assignments used, quality = 0.95: QG2 ILE 80 + H LYS 86 OK 95 95 100 100 2.2-2.7 9753=86, 9819/2.9=53...(27) QD2 LEU 22 - H LYS 19 far 0 61 0 - 5.1-9.2 HG13 ILE 80 - H LYS 86 far 0 100 0 - 5.2-6.3 QG1 VAL 133 - H LYS 86 far 0 97 0 - 7.5-8.6 QG2 ILE 129 - H LYS 86 far 0 100 0 - 7.7-8.4 QG2 ILE 80 - H LYS 19 far 0 64 0 - 8.5-31.3 QD2 LEU 22 - H LYS 86 far 0 92 0 - 9.3-26.2 QD1 LEU 70 - H LYS 19 far 0 70 0 - 9.4-30.7 Violated in 0 structures by 0.00 A. Peak 9816 from nnoeabs.peaks (3.23, 8.08, 114.49 ppm; 5.71 A): 1 out of 3 assignments used, quality = 1.00: HD3 ARG 135 + HD22 ASN 85 OK 100 100 100 100 3.5-5.8 11885/1.7=96, ~9800=60...(10) HB2 PHE 87 - HD22 ASN 85 far 10 100 10 - 6.2-10.0 HB3 PHE 87 - HD22 ASN 85 far 0 100 0 - 6.7-11.1 Violated in 2 structures by 0.01 A. Peak 9817 from nnoeabs.peaks (3.24, 8.34, 124.24 ppm; 5.18 A): 2 out of 6 assignments used, quality = 0.99: HB2 PHE 87 + H LYS 86 OK 99 99 100 100 4.6-5.0 4.0/7154=78, 9833/4.0=60...(12) HB3 PHE 87 + H LYS 86 OK 29 100 30 98 5.7-6.4 4.0/7154=78, 4.5/7175=52...(9) HB3 HIS 8 - H LYS 19 far 2 42 5 - 5.1-34.4 HD3 ARG 135 - H LYS 86 far 0 100 0 - 6.9-8.7 HB3 HIS 10 - H LYS 19 far 0 55 0 - 7.6-25.7 HB3 HIS 4 - H LYS 19 far 0 72 0 - 9.0-45.3 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 96 4.5-4.9 9823/7157=59...(9) HG12 ILE 80 - H PHE 87 far 0 100 0 - 6.3-7.6 Violated in 0 structures by 0.00 A. Peak 9830 from nnoeabs.peaks (1.15, 8.12, 118.33 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.99: QG1 VAL 132 + H PHE 87 OK 92 92 100 100 4.5-5.1 11748/3.6=85...(10) QG2 VAL 132 + H PHE 87 OK 91 99 100 92 6.5-7.0 10551/7171=54...(7) Violated in 0 structures by 0.00 A. Peak 9831 from nnoeabs.peaks (0.82, 8.12, 118.33 ppm; 5.67 A): 1 out of 5 assignments used, quality = 0.98: QG2 ILE 80 + H PHE 87 OK 98 98 100 100 4.5-5.0 11240/7157=85...(16) HG13 ILE 80 - H PHE 87 far 0 100 0 - 7.7-8.3 QG2 ILE 129 - H PHE 87 far 0 100 0 - 7.9-8.8 QG1 VAL 133 - H PHE 87 far 0 93 0 - 9.5-10.4 QD2 LEU 22 - H PHE 87 far 0 85 0 - 9.8-26.5 Violated in 0 structures by 0.00 A. Peak 9866 from nnoeabs.peaks (1.42, 8.69, 120.07 ppm; 5.63 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 92 + H PHE 89 OK 99 99 100 100 4.7-5.5 2897/2.9=95...(13) HG2 LYS 86 + H PHE 89 OK 98 100 100 98 5.0-5.9 3.7/7190=73...(6) 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 98 100 100 99 3.1-4.2 10551=40, 9861/7195=28...(23) QG1 VAL 132 + H PHE 89 OK 94 95 100 99 2.1-3.1 11738/9869=35...(23) Violated in 0 structures by 0.00 A. Peak 9868 from nnoeabs.peaks (0.81, 8.69, 120.07 ppm; 5.79 A increased from 5.45 A): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 80 + H PHE 89 OK 100 100 100 100 5.0-5.7 3.1/9869=88...(13) QG2 ILE 129 + H PHE 89 OK 95 97 100 99 5.0-5.7 10457/6.2=56, ~11369=48...(14) HG13 ILE 80 - H PHE 89 far 0 95 0 - 6.9-7.4 QG1 VAL 133 - H PHE 89 far 0 68 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 9869 from nnoeabs.peaks (0.28, 8.69, 120.07 ppm; 4.55 A): 1 out of 2 assignments used, quality = 0.95: QD1 ILE 80 + H PHE 89 OK 95 96 100 100 3.9-4.2 9747/4.2=56...(17) QG2 VAL 93 - H PHE 89 far 0 99 0 - 5.5-5.7 Violated in 0 structures by 0.00 A. Peak 9870 from nnoeabs.peaks (1.99, 8.69, 120.07 ppm; 5.31 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 91 + H PHE 89 OK 99 100 100 99 4.8-5.4 2860/3.6=80...(6) HG2 ARG 90 + H PHE 89 OK 55 60 100 92 4.4-5.5 4.6/7209=71...(5) HB ILE 129 - H PHE 89 far 0 98 0 - 8.0-8.9 HG2 PRO 81 - H PHE 89 far 0 100 0 - 8.7-12.1 HB3 MET 11 - H PHE 89 far 0 60 0 - 9.2-43.0 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 4.9-5.4 2897/3.6=91, 3.0/7248=88...(13) HG2 LYS 86 + H ARG 90 OK 91 92 100 100 4.6-5.7 11742/11754=77...(7) HG3 LYS 19 - H ARG 90 far 0 99 0 - 8.1-39.8 Violated in 0 structures by 0.00 A. Peak 9894 from nnoeabs.peaks (1.16, 8.56, 117.97 ppm; 4.25 A): 2 out of 3 assignments used, quality = 0.78: QG2 VAL 77 + H ARG 90 OK 71 71 100 100 2.7-3.2 11931/7220=52...(19) QG1 VAL 132 + H ARG 90 OK 26 68 40 95 4.4-5.2 11738/11183=38...(13) QG2 VAL 132 - H ARG 90 far 0 87 0 - 4.9-5.6 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 4.3-4.7 9953/2.9=84, 9954/3.6=69...(23) QD1 ILE 80 + H ARG 90 OK 73 73 100 100 4.2-4.8 9869/7209=55, 11183=49...(17) 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; 4.71 A increased from 4.43 A): 1 out of 3 assignments used, quality = 0.99: QB ALA 92 + H GLU 91 OK 99 99 100 100 4.4-4.5 3.0/7250=88, 3.7/7263=57...(13) HG2 LYS 86 - H GLU 91 far 0 92 0 - 6.8-8.1 HG3 LYS 19 - H GLU 91 far 0 99 0 - 9.1-41.5 Violated in 0 structures by 0.00 A. Peak 9919 from nnoeabs.peaks (7.33, 8.13, 119.27 ppm; 5.51 A): 2 out of 3 assignments used, quality = 0.93: QD PHE 87 + H GLU 91 OK 87 87 100 100 4.5-5.2 2.5/11310=71...(10) HE ARG 90 + H GLU 91 OK 46 92 50 100 4.4-6.8 4.0/2822=73, 4.8/7233=73...(9) HZ PHE 89 - H GLU 91 far 0 57 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 9926 from nnoeabs.peaks (2.23, 8.43, 119.94 ppm; 6.22 A): 2 out of 4 assignments used, quality = 1.00: HB3 LEU 96 + H VAL 93 OK 100 100 100 100 4.6-5.1 10492/9965=82...(19) HG2 GLU 91 + H VAL 93 OK 100 100 100 100 4.6-6.2 7254/7258=94...(6) HB3 GLU 128 - H VAL 93 far 0 99 0 - 7.3-8.2 HB3 GLU 97 - H VAL 93 far 0 90 0 - 8.5-9.1 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 5 assignments used, quality = 1.00: HA VAL 93 + H ALA 92 OK 100 100 100 100 4.9-5.1 2.9/7258=100, 11423=97...(19) HB3 HIS 10 - H ALA 92 far 5 100 5 - 5.8-41.9 HB3 PHE 87 - H ALA 92 far 0 85 0 - 7.0-7.9 HB2 PHE 87 - H ALA 92 far 0 76 0 - 8.1-8.8 HD3 ARG 135 - H ALA 92 far 0 85 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 9933 from nnoeabs.peaks (1.14, 7.82, 123.43 ppm; 4.96 A): 1 out of 2 assignments used, quality = 0.99: QG2 VAL 132 + H ALA 92 OK 99 100 100 99 4.5-5.1 9947/7257=87...(11) QG1 VAL 132 - H ALA 92 far 5 99 5 - 5.5-6.0 Violated in 4 structures by 0.01 A. Peak 9934 from nnoeabs.peaks (0.75, 7.82, 123.43 ppm; 5.80 A increased from 4.88 A): 3 out of 4 assignments used, quality = 1.00: QG1 VAL 93 + H ALA 92 OK 100 100 100 100 5.4-5.6 2.1/9936=98, 2.1/9939=96...(17) HG12 ILE 129 + H ALA 92 OK 30 100 30 100 4.2-7.4 10483/7257=89, ~10491=81...(21) QD2 LEU 96 + H ALA 92 OK 29 100 30 98 6.1-6.9 11806/9930=58...(13) QD1 LEU 96 - H ALA 92 far 0 71 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 9936 from nnoeabs.peaks (0.29, 7.82, 123.43 ppm; 4.47 A increased from 4.21 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + H ALA 92 OK 100 100 100 100 4.0-4.4 9922=87, 9970/7257=79...(18) QD1 ILE 80 - H ALA 92 far 0 83 0 - 6.8-7.2 Violated in 0 structures by 0.00 A. Peak 9938 from nnoeabs.peaks (1.66, 7.82, 123.43 ppm; 5.06 A increased from 4.50 A): 3 out of 5 assignments used, quality = 1.00: QB ALA 88 + H ALA 92 OK 100 100 100 100 4.3-5.1 2.1/7246=84...(12) HD3 LYS 95 + H ALA 92 OK 59 100 60 99 4.5-6.5 3.0/11351=41...(23) HD2 LYS 95 + H ALA 92 OK 34 97 35 99 4.4-6.9 3.0/11351=41, ~9941=40...(22) HB2 LEU 98 - H ALA 92 far 0 96 0 - 9.8-10.5 HB2 LEU 69 - H ALA 92 far 0 100 0 - 9.9-10.7 Violated in 0 structures by 0.00 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 4.2-4.4 2.1/9936=79, 4.0/7258=71...(17) Violated in 0 structures by 0.00 A. Peak 9964 from nnoeabs.peaks (1.97, 8.43, 119.94 ppm; 5.70 A increased from 5.06 A): 2 out of 2 assignments used, quality = 0.95: HB3 ARG 90 + H VAL 93 OK 84 85 100 99 4.8-5.5 3.0/2792=89, 4.4/7263=70...(4) HB2 GLU 91 + H VAL 93 OK 70 71 100 99 5.0-6.0 4.6/7258=83, 4.0/7263=75...(5) 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 2.6-3.4 9967/2918=89...(18) QD1 LEU 42 - H VAL 93 far 0 100 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 9975 from nnoeabs.peaks (2.22, 7.71, 121.43 ppm; 4.97 A): 1 out of 4 assignments used, quality = 0.95: HB3 LEU 96 + H LYS 95 OK 95 96 100 100 4.1-4.3 9226/3.4=59, 4.4/7335=54...(24) HB3 GLU 97 - H LYS 95 far 0 99 0 - 6.6-6.9 HG2 GLU 91 - H LYS 95 far 0 100 0 - 6.8-7.9 HB3 GLU 128 - H LYS 95 far 0 100 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 9976 from nnoeabs.peaks (2.38, 7.71, 121.43 ppm; 6.80 A): 0 out of 1 assignment used, quality = 0.00: HG2 GLU 128 - H LYS 95 poor 14 99 55 26 7.2-9.0 11413/9981=13, 11701/3.1=12 Violated in 20 structures by 0.75 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: HE2 LYS 95 + H LYS 95 OK 99 99 100 100 3.7-5.4 6.7=100 HE3 LYS 95 + H LYS 95 OK 99 99 100 100 4.1-4.9 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): 1 out of 3 assignments used, quality = 0.99: QD2 LEU 98 + H LYS 95 OK 99 99 100 100 4.3-4.9 11470/2.9=91, ~11468=59...(30) QD2 LEU 70 - H LYS 95 far 10 96 10 - 5.6-6.1 QD1 LEU 98 - H LYS 95 far 0 99 0 - 6.2-6.7 Violated in 0 structures by 0.00 A. Peak 9980 from nnoeabs.peaks (0.76, 7.71, 121.43 ppm; 4.58 A): 2 out of 5 assignments used, quality = 0.96: QG1 VAL 93 + H LYS 95 OK 95 95 100 100 4.2-4.4 7283/3.4=67...(27) QD2 LEU 96 + H LYS 95 OK 28 93 30 100 4.6-5.4 3.2/9975=56...(24) QD2 LEU 122 - H LYS 95 far 0 73 0 - 5.9-8.9 QD1 LEU 96 - H LYS 95 far 0 98 0 - 6.2-6.4 HG12 ILE 129 - H LYS 95 far 0 95 0 - 6.4-8.1 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 5.1-5.3 2.1/11342=90...(28) QD1 ILE 80 - H LYS 95 far 0 96 0 - 9.8-10.2 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 3.6-4.2 10492/3.8=63...(18) QD1 LEU 42 - H LEU 96 far 0 97 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 9983 from nnoeabs.peaks (0.29, 8.27, 124.81 ppm; 5.77 A): 1 out of 1 assignment used, quality = 1.00: QG2 VAL 93 + H LEU 96 OK 100 100 100 100 4.7-4.9 11327=99, 2.1/11432=93...(28) Violated in 0 structures by 0.00 A. Peak 9985 from nnoeabs.peaks (2.77, 8.27, 124.81 ppm; 6.80 A): 0 out of 3 assignments used, quality = 0.00: HB2 CYS 73 - H LEU 96 far 8 78 10 - 7.3-7.7 HB2 ASN 121 - H LEU 96 lone 3 60 45 9 6.4-8.9 10307/7329=4, 10300/2.9=2 HB3 ASN 13 - H LEU 96 far 0 100 0 - 9.8-40.7 Violated in 11 structures by 0.16 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 5.0-5.6 9982/7330=82...(11) QD1 LEU 42 - H GLU 97 far 0 100 0 - 9.0-9.6 Violated in 0 structures by 0.00 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 5.4-5.6 11425/7330=92...(13) Violated in 0 structures by 0.00 A. Peak 9997 from nnoeabs.peaks (1.67, 8.50, 119.00 ppm; 5.53 A): 1 out of 4 assignments used, quality = 0.93: HB2 LEU 98 + H GLU 97 OK 93 93 100 100 4.3-4.6 7363/3.9=73...(8) HD3 LYS 95 - H GLU 97 far 15 99 15 - 5.6-7.8 HD2 LYS 95 - H GLU 97 far 14 96 15 - 5.8-8.0 HB2 LEU 69 - H GLU 97 far 0 100 0 - 6.8-7.2 Violated in 0 structures by 0.00 A. Peak 9998 from nnoeabs.peaks (1.78, 8.50, 119.00 ppm; 5.92 A increased from 5.26 A): 2 out of 4 assignments used, quality = 1.00: HG LEU 100 + H GLU 97 OK 100 100 100 100 5.3-6.2 ~10036=77, ~10001=75...(20) HB3 LEU 98 + H GLU 97 OK 99 99 100 100 5.8-6.1 7364/3.9=90, 1.8/9997=90...(8) HB3 LEU 122 - H GLU 97 far 5 90 5 - 5.6-8.6 HB3 LEU 103 - H GLU 97 far 0 92 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 10018 from nnoeabs.peaks (1.39, 7.74, 119.22 ppm; 5.15 A): 2 out of 7 assignments used, quality = 1.00: HG LEU 96 + H LEU 98 OK 99 100 100 99 4.7-5.0 11363/7358=55...(16) HG3 LYS 95 + H LEU 98 OK 45 99 65 70 5.3-6.4 3.9/2961=59...(5) HG2 LYS 95 - H LEU 98 far 0 99 0 - 5.9-7.2 HB2 LEU 96 - H LEU 98 far 0 95 0 - 5.9-6.4 HB3 LEU 100 - H LEU 98 far 0 93 0 - 6.3-6.9 QB ALA 15 - H LEU 98 far 0 97 0 - 7.8-35.4 QB ALA 16 - H LEU 98 far 0 97 0 - 8.5-38.7 Violated in 0 structures by 0.00 A. Peak 10026 from nnoeabs.peaks (0.80, 8.49, 120.88 ppm; 3.85 A): 2 out of 8 assignments used, quality = 0.99: QD1 LEU 122 + H LEU 100 OK 93 100 95 98 2.0-5.1 9487/7401=43...(29) QD2 LEU 122 + H LEU 100 OK 88 90 100 97 2.1-3.5 11481/3.6=35...(33) QG1 VAL 63 - H LEU 100 far 0 83 0 - 5.7-6.5 QD1 LEU 70 - H LEU 100 far 0 90 0 - 6.0-6.5 QD1 LEU 103 - H LEU 100 far 0 81 0 - 6.1-7.1 QD2 LEU 49 - H LEU 100 far 0 99 0 - 6.1-6.7 QD1 LEU 53 - H LEU 100 far 0 98 0 - 7.8-9.2 QD2 LEU 119 - H LEU 100 far 0 100 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 10027 from nnoeabs.peaks (2.22, 8.49, 120.88 ppm; 5.69 A increased from 5.06 A): 3 out of 6 assignments used, quality = 1.00: HB3 GLU 97 + H LEU 100 OK 100 100 100 100 4.9-5.7 10030/7401=61...(18) HB2 GLN 101 + H LEU 100 OK 33 96 35 100 5.9-6.5 3286/3.1=89, ~7418=80...(14) HB3 GLU 102 + H LEU 100 OK 33 97 35 99 4.8-7.1 3207/3.6=79, 3.8/7444=70...(8) HB3 LEU 96 - H LEU 100 far 4 87 5 - 6.3-6.8 HB3 GLN 104 - H LEU 100 far 0 100 0 - 7.9-8.3 HB2 GLN 104 - H LEU 100 far 0 60 0 - 9.0-9.2 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 2 assignments used, quality = 0.62: H LEU 103 + H LEU 100 OK 62 63 100 99 4.4-4.8 3.0/7444=85, ~7445=60...(10) H ASN 121 - H LEU 100 far 0 97 0 - 7.6-8.5 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 4 assignments used, quality = 0.92: QD1 LEU 98 + HE21 GLN 101 OK 90 97 100 94 2.7-3.8 10059/1.7=69...(7) QD2 LEU 98 + HE21 GLN 101 OK 21 100 30 70 3.9-6.1 ~10059=45, 4.0/7427=34...(4) QG1 VAL 118 - HE21 GLN 101 far 0 68 0 - 7.6-9.3 QD2 LEU 70 - HE21 GLN 101 far 0 89 0 - 8.6-10.2 Violated in 1 structures by 0.00 A. Peak 10058 from nnoeabs.peaks (0.97, 6.79, 111.00 ppm; 4.51 A): 0 out of 2 assignments used, quality = 0.00: QG1 VAL 105 - HE21 GLN 101 far 0 90 0 - 5.5-7.1 QG2 VAL 105 - HE21 GLN 101 far 0 63 0 - 5.5-6.7 Violated in 20 structures by 1.30 A. Peak 10059 from nnoeabs.peaks (0.86, 7.38, 111.00 ppm; 3.84 A): 1 out of 3 assignments used, quality = 0.94: QD1 LEU 98 + HE22 GLN 101 OK 94 100 100 94 2.9-3.8 10057/1.7=61...(8) QD2 LEU 98 - HE22 GLN 101 far 0 97 0 - 4.9-6.1 QD2 LEU 70 - HE22 GLN 101 far 0 98 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. Peak 10060 from nnoeabs.peaks (0.97, 7.38, 111.00 ppm; 4.23 A): 0 out of 1 assignment used, quality = 0.00: QG1 VAL 105 - HE22 GLN 101 far 0 95 0 - 5.0-6.0 Violated in 20 structures by 1.43 A. Peak 10065 from nnoeabs.peaks (1.00, 7.85, 118.36 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 105 + H GLU 102 OK 100 100 100 100 3.6-3.9 10086/2.9=72...(19) QG2 VAL 118 - H GLU 102 far 15 100 15 - 3.9-5.1 Violated in 2 structures by 0.00 A. Peak 10066 from nnoeabs.peaks (1.58, 7.85, 118.36 ppm; 4.91 A increased from 4.62 A): 1 out of 5 assignments used, quality = 0.99: HB2 LEU 103 + H GLU 102 OK 99 99 100 100 4.4-4.9 7473/3.0=85, ~7474=62...(20) HG LEU 103 - H GLU 102 far 0 65 0 - 6.4-6.8 HG LEU 122 - H GLU 102 far 0 81 0 - 6.6-8.3 HB2 LEU 122 - H GLU 102 far 0 71 0 - 8.1-9.9 HG LEU 70 - H GLU 102 far 0 63 0 - 8.6-9.3 Violated in 1 structures by 0.00 A. Peak 10067 from nnoeabs.peaks (0.89, 7.85, 118.36 ppm; 4.51 A increased from 4.00 A): 1 out of 4 assignments used, quality = 0.99: QG1 VAL 118 + H GLU 102 OK 99 100 100 100 3.6-4.5 10269/7458=57...(14) QD2 LEU 98 - H GLU 102 far 0 87 0 - 5.8-7.1 QG2 VAL 63 - H GLU 102 far 0 90 0 - 5.9-6.7 QD1 LEU 62 - H GLU 102 far 0 85 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 10068 from nnoeabs.peaks (0.79, 7.85, 118.36 ppm; 5.84 A increased from 4.67 A): 4 out of 8 assignments used, quality = 1.00: QD1 LEU 103 + H GLU 102 OK 100 100 100 100 5.7-6.2 3.2/10066=84, ~7477=68...(16) QD2 LEU 122 + H GLU 102 OK 98 100 100 98 4.9-5.7 11481/7443=78...(14) QG1 VAL 63 + H GLU 102 OK 78 100 80 97 5.7-6.8 11810/7483=45...(12) QD1 LEU 122 + H GLU 102 OK 57 81 80 89 5.1-8.0 11381/7443=30...(12) QD1 LEU 96 - H GLU 102 far 0 93 0 - 7.3-8.0 QD2 LEU 119 - H GLU 102 far 0 92 0 - 8.7-10.1 QD2 LEU 49 - H GLU 102 far 0 97 0 - 8.8-9.5 QD1 LEU 53 - H GLU 102 far 0 99 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 10070 from nnoeabs.peaks (1.00, 7.90, 117.67 ppm; 4.10 A increased from 3.86 A): 1 out of 2 assignments used, quality = 0.97: QG2 VAL 105 + H GLN 104 OK 97 100 100 98 3.6-4.1 3478/7499=74...(8) QG2 VAL 118 - H GLN 104 far 0 97 0 - 5.4-5.9 Violated in 1 structures by 0.00 A. Peak 10073 from nnoeabs.peaks (0.91, 6.96, 111.83 ppm; 5.00 A increased from 4.44 A): 1 out of 4 assignments used, quality = 1.00: QG2 VAL 63 + HE21 GLN 104 OK 100 100 100 100 2.6-5.3 2.1/10074=96...(18) QG1 VAL 118 - HE21 GLN 104 far 10 99 10 - 5.3-8.9 QD1 LEU 62 - HE21 GLN 104 far 0 99 0 - 7.3-10.5 QD1 LEU 49 - HE21 GLN 104 far 0 99 0 - 7.7-12.1 Violated in 1 structures by 0.02 A. Peak 10074 from nnoeabs.peaks (0.79, 6.96, 111.83 ppm; 3.83 A): 1 out of 9 assignments used, quality = 0.94: QG1 VAL 63 + HE21 GLN 104 OK 94 99 95 100 1.9-4.9 10078/1.7=71...(16) QD1 LEU 122 - HE21 GLN 104 far 5 90 5 - 4.1-9.8 QD1 LEU 103 - HE21 GLN 104 far 0 98 0 - 5.2-8.6 QD2 LEU 122 - HE21 GLN 104 far 0 100 0 - 5.3-9.3 QD1 LEU 96 - HE21 GLN 104 far 0 85 0 - 5.9-9.5 QD2 LEU 49 - HE21 GLN 104 far 0 99 0 - 6.3-10.2 QD1 LEU 70 - HE21 GLN 104 far 0 63 0 - 6.3-10.0 QD2 LEU 119 - HE21 GLN 104 far 0 97 0 - 7.7-11.5 QD1 LEU 53 - HE21 GLN 104 far 0 100 0 - 8.7-12.9 Violated in 1 structures by 0.05 A. Peak 10076 from nnoeabs.peaks (1.39, 7.43, 111.83 ppm; 5.88 A increased from 5.53 A): 1 out of 5 assignments used, quality = 0.97: HB3 LEU 100 + HE22 GLN 104 OK 97 99 100 98 2.7-5.7 10964/10078=82...(6) QB ALA 108 - HE22 GLN 104 far 0 100 0 - 7.8-9.8 HG LEU 96 - HE22 GLN 104 far 0 97 0 - 8.6-12.1 QB ALA 109 - HE22 GLN 104 far 0 100 0 - 8.6-10.8 HB2 LEU 96 - HE22 GLN 104 far 0 99 0 - 10.0-13.5 Violated in 0 structures by 0.00 A. Peak 10077 from nnoeabs.peaks (0.91, 7.43, 111.83 ppm; 4.35 A): 1 out of 4 assignments used, quality = 1.00: QG2 VAL 63 + HE22 GLN 104 OK 100 100 100 100 1.8-3.9 2.1/10078=87...(21) QG1 VAL 118 - HE22 GLN 104 far 10 97 10 - 4.9-8.1 QD1 LEU 62 - HE22 GLN 104 far 0 100 0 - 7.2-9.8 QD1 LEU 49 - HE22 GLN 104 far 0 100 0 - 8.4-11.0 Violated in 0 structures by 0.00 A. Peak 10078 from nnoeabs.peaks (0.78, 7.43, 111.83 ppm; 3.68 A): 1 out of 8 assignments used, quality = 1.00: QG1 VAL 63 + HE22 GLN 104 OK 100 100 100 100 1.8-3.7 10074/1.7=63, 9405=53...(18) QD1 LEU 103 - HE22 GLN 104 far 0 100 0 - 4.4-7.4 QD1 LEU 122 - HE22 GLN 104 far 0 63 0 - 4.5-9.4 QD2 LEU 122 - HE22 GLN 104 far 0 99 0 - 4.6-9.2 QD1 LEU 96 - HE22 GLN 104 far 0 99 0 - 6.5-9.5 QD2 LEU 49 - HE22 GLN 104 far 0 87 0 - 6.8-9.1 QD2 LEU 119 - HE22 GLN 104 far 0 78 0 - 7.2-10.4 QD1 LEU 53 - HE22 GLN 104 far 0 92 0 - 8.8-12.4 Violated in 1 structures by 0.00 A. Peak 10101 from nnoeabs.peaks (1.39, 8.23, 117.55 ppm; 4.53 A): 1 out of 4 assignments used, quality = 0.95: QB ALA 108 + H SER 107 OK 95 99 100 97 4.2-4.6 2.9/7552=80...(8) QB ALA 109 - H SER 107 far 0 100 0 - 5.4-5.8 QB ALA 110 - H SER 107 far 0 97 0 - 7.8-9.8 HB3 LEU 100 - H SER 107 far 0 95 0 - 8.8-9.3 Violated in 4 structures by 0.00 A. Peak 10102 from nnoeabs.peaks (0.94, 8.23, 117.55 ppm; 5.73 A increased from 5.39 A): 2 out of 5 assignments used, quality = 0.86: QG1 VAL 105 + H SER 107 OK 72 73 100 98 5.0-5.6 4.4/7543=85, 11448=61...(6) QG2 VAL 63 + H SER 107 OK 50 71 100 70 4.4-5.7 11484/7552=45...(6) QD1 LEU 119 - H SER 107 far 5 99 5 - 6.2-7.8 QD1 LEU 62 - H SER 107 far 0 78 0 - 7.8-8.4 QG2 VAL 112 - H SER 107 far 0 96 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 10103 from nnoeabs.peaks (0.79, 8.23, 117.55 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.99: QD1 LEU 103 + H SER 107 OK 94 95 100 100 2.8-3.9 11486/7552=86...(14) QD2 LEU 119 + H SER 107 OK 77 99 100 78 6.3-7.3 10111/4.1=65, ~11623=20...(4) QG1 VAL 63 + H SER 107 OK 44 96 100 46 5.9-7.3 2.1/10102=39...(3) QD2 LEU 122 - H SER 107 far 15 99 15 - 6.6-9.8 QD1 LEU 122 - H SER 107 far 0 96 0 - 7.5-9.6 Violated in 0 structures by 0.00 A. Peak 10118 from nnoeabs.peaks (0.92, 8.08, 123.00 ppm; 4.86 A increased from 4.57 A): 1 out of 6 assignments used, quality = 1.00: QG2 VAL 112 + H ALA 109 OK 100 100 100 100 4.4-4.8 11548/2.9=93...(15) QG2 VAL 63 - H ALA 109 far 0 98 0 - 5.7-7.2 QD1 LEU 119 - H ALA 109 far 0 78 0 - 5.9-7.1 QD1 LEU 62 - H ALA 109 far 0 99 0 - 7.2-8.5 QG1 VAL 118 - H ALA 109 far 0 83 0 - 7.2-8.9 QG1 VAL 57 - H ALA 109 far 0 60 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 10121 from nnoeabs.peaks (0.95, 8.30, 108.05 ppm; 3.93 A): 1 out of 5 assignments used, quality = 0.67: QG2 VAL 112 + H GLY 111 OK 67 73 100 91 2.5-3.5 10661/3.0=54...(10) QG1 VAL 112 - H GLY 111 far 0 83 0 - 5.1-6.0 QD1 LEU 119 - H GLY 111 far 0 99 0 - 5.5-7.4 QG1 VAL 57 - H GLY 111 far 0 100 0 - 7.1-8.7 QD2 LEU 53 - H GLY 111 far 0 85 0 - 8.2-11.0 Violated in 0 structures by 0.00 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 4.5-4.8 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): 1 out of 3 assignments used, quality = 1.00: QB ALA 109 + H VAL 112 OK 100 100 100 100 2.6-4.4 11548/3556=89...(11) QB ALA 110 - H VAL 112 far 5 98 5 - 4.3-6.0 QB ALA 108 - H VAL 112 far 0 99 0 - 8.0-9.2 Violated in 0 structures by 0.00 A. Peak 10159 from nnoeabs.peaks (1.13, 8.57, 108.97 ppm; 5.32 A increased from 4.73 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 115 + H GLY 114 OK 100 100 100 100 4.9-5.2 7607/7602=96...(16) HB3 LEU 62 - H GLY 114 far 0 97 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 10160 from nnoeabs.peaks (0.93, 8.57, 108.97 ppm; 4.03 A increased from 3.79 A): 1 out of 5 assignments used, quality = 0.90: QD1 LEU 119 + H GLY 114 OK 90 97 100 94 3.4-4.0 10163/2.9=47...(11) QD1 LEU 62 - H GLY 114 far 0 89 0 - 5.1-6.3 QG2 VAL 112 - H GLY 114 far 0 99 0 - 6.3-7.2 QG1 VAL 57 - H GLY 114 far 0 87 0 - 7.7-9.1 QD1 LEU 123 - H GLY 114 far 0 100 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 10161 from nnoeabs.peaks (0.79, 8.57, 108.97 ppm; 6.80 A): 1 out of 5 assignments used, quality = 0.99: QD2 LEU 119 + H GLY 114 OK 99 99 100 100 4.1-4.9 2.1/10160=100, ~10163=81...(12) QD1 LEU 53 - H GLY 114 far 5 100 5 - 6.6-9.2 QD1 LEU 103 - H GLY 114 far 5 96 5 - 7.2-8.4 QD2 LEU 122 - H GLY 114 far 0 99 0 - 9.1-12.2 QD1 LEU 122 - H GLY 114 far 0 95 0 - 9.1-12.5 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 7 assignments used, quality = 0.99: QD1 LEU 119 + H THR 115 OK 99 100 100 99 2.3-3.8 10160/7602=47...(14) QG1 VAL 112 + H THR 115 OK 56 63 100 89 3.2-3.6 11499/7607=33...(12) QG2 VAL 112 - H THR 115 far 0 90 0 - 4.8-6.0 QD1 LEU 62 - H THR 115 far 0 68 0 - 5.8-7.6 QD2 LEU 53 - H THR 115 far 0 65 0 - 6.1-8.7 QG2 VAL 63 - H THR 115 far 0 60 0 - 9.4-11.6 QG1 VAL 57 - H THR 115 far 0 98 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 10168 from nnoeabs.peaks (1.91, 7.90, 111.39 ppm; 6.54 A increased from 6.16 A): 2 out of 3 assignments used, quality = 1.00: HB2 PRO 113 + H THR 115 OK 100 100 100 100 4.2-6.4 3.9/7600=99...(11) HG2 PRO 113 + H THR 115 OK 77 78 100 98 4.1-6.9 ~11939=69, 3617/7602=54...(9) HG LEU 53 - H THR 115 far 0 68 0 - 9.3-12.2 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 2 assignments used, quality = 0.76: HB VAL 112 + H THR 115 OK 76 76 100 100 3.3-5.2 10185/7607=93, ~11577=63...(9) HB VAL 57 - H THR 115 far 0 100 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 10173 from nnoeabs.peaks (2.85, 7.90, 111.39 ppm; 4.96 A): 1 out of 2 assignments used, quality = 0.95: HB2 ASN 116 + H THR 115 OK 95 100 95 100 4.2-5.6 7615/7608=92...(12) HB3 ASN 59 - H THR 115 far 0 78 0 - 7.1-9.6 Violated in 4 structures by 0.05 A. Peak 10176 from nnoeabs.peaks (4.97, 7.90, 111.39 ppm; 5.78 A increased from 4.87 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + H THR 115 OK 100 100 100 100 4.8-5.7 2.9/7608=100...(11) Violated in 0 structures by 0.00 A. Peak 10197 from nnoeabs.peaks (3.96, 8.45, 123.09 ppm; 4.92 A increased from 4.37 A): 1 out of 7 assignments used, quality = 0.98: HD3 PRO 117 + H ASN 116 OK 98 98 100 100 4.8-4.8 4.8=100 HD3 PRO 113 - H ASN 116 far 0 73 0 - 6.8-8.3 HA2 GLY 111 - H ASN 116 far 0 57 0 - 6.9-9.7 HB3 SER 107 - H ASN 116 far 0 100 0 - 7.3-9.4 HB3 SER 106 - H ASN 116 far 0 89 0 - 7.3-10.3 HA3 GLY 111 - H ASN 116 far 0 90 0 - 8.0-10.6 HB2 SER 106 - H ASN 116 far 0 100 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 10198 from nnoeabs.peaks (3.86, 8.45, 123.09 ppm; 4.27 A): 2 out of 2 assignments used, quality = 0.87: HA2 GLY 114 + H ASN 116 OK 78 81 100 96 3.5-4.4 3.6/7608=74, 5.0/3638=45...(7) HD2 PRO 117 + H ASN 116 OK 40 100 40 100 4.8-5.0 3667/2.9=78, 4.8=70...(20) Violated in 0 structures by 0.00 A. Peak 10199 from nnoeabs.peaks (2.04, 8.45, 123.09 ppm; 6.26 A increased from 5.27 A): 2 out of 5 assignments used, quality = 0.99: HG2 PRO 117 + H ASN 116 OK 93 93 100 100 6.7-6.8 ~3667=84, ~3668=84...(21) HB VAL 118 + H ASN 116 OK 89 89 100 100 5.8-6.1 10201/7615=80...(10) HG3 PRO 113 - H ASN 116 poor 16 81 20 - 5.2-7.6 HG3 PRO 117 - H ASN 116 far 0 97 0 - 6.9-7.1 HB2 LEU 62 - H ASN 116 far 0 89 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 10202 from nnoeabs.peaks (2.05, 7.01, 113.21 ppm; 5.06 A): 2 out of 6 assignments used, quality = 1.00: HB VAL 118 + HD21 ASN 116 OK 100 100 100 100 2.8-5.3 10204/1.7=86, ~10278=71...(16) HG2 PRO 117 + HD21 ASN 116 OK 56 100 60 93 4.8-6.6 ~10214=43, 2.3/10210=30...(10) HB2 LEU 62 - HD21 ASN 116 far 5 100 5 - 5.0-10.1 HB2 GLU 102 - HD21 ASN 116 far 3 65 5 - 5.5-9.5 HG3 PRO 117 - HD21 ASN 116 far 0 100 0 - 5.8-7.9 HG2 PRO 58 - HD21 ASN 116 far 0 63 0 - 9.6-14.0 Violated in 1 structures by 0.00 A. Peak 10204 from nnoeabs.peaks (2.06, 7.92, 113.21 ppm; 4.68 A): 1 out of 7 assignments used, quality = 0.99: HB VAL 118 + HD22 ASN 116 OK 99 99 100 100 2.5-4.1 2.1/10278=59...(14) HG2 PRO 117 - HD22 ASN 116 far 10 98 10 - 5.1-6.7 HB2 GLU 102 - HD22 ASN 116 far 0 85 0 - 5.6-9.7 HG3 PRO 117 - HD22 ASN 116 far 0 96 0 - 6.3-7.8 HB2 LEU 62 - HD22 ASN 116 far 0 99 0 - 6.4-8.5 HG3 PRO 113 - HD22 ASN 116 far 0 100 0 - 9.5-12.3 HB VAL 57 - HD22 ASN 116 far 0 65 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 10210 from nnoeabs.peaks (3.95, 7.01, 113.21 ppm; 5.29 A): 4 out of 7 assignments used, quality = 1.00: HD3 PRO 117 + HD21 ASN 116 OK 100 100 100 100 3.5-5.5 3670/4.6=75...(12) HB3 SER 107 + HD21 ASN 116 OK 68 99 80 86 3.8-6.6 10106/10219=49...(8) HB2 SER 106 + HD21 ASN 116 OK 48 95 95 53 2.5-6.4 10105/11532=25...(6) HB3 SER 106 + HD21 ASN 116 OK 21 71 95 31 1.9-7.5 10096/10219=14...(7) HA LEU 100 - HD21 ASN 116 far 0 99 0 - 7.5-9.5 HA2 GLY 111 - HD21 ASN 116 far 0 78 0 - 8.3-11.7 HA3 GLY 111 - HD21 ASN 116 far 0 99 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 10211 from nnoeabs.peaks (4.29, 7.01, 113.21 ppm; 5.82 A): 0 out of 5 assignments used, quality = 0.00: HA ALA 109 - HD21 ASN 116 far 0 96 0 - 6.5-8.2 HA ALA 108 - HD21 ASN 116 far 0 96 0 - 6.8-8.9 HB THR 115 - HD21 ASN 116 far 0 92 0 - 7.2-8.6 HA ALA 110 - HD21 ASN 116 far 0 100 0 - 9.9-11.0 HA GLN 61 - HD21 ASN 116 far 0 99 0 - 10.0-14.4 Violated in 20 structures by 0.44 A. Peak 10212 from nnoeabs.peaks (4.29, 7.92, 113.21 ppm; 4.76 A): 0 out of 4 assignments used, quality = 0.00: HB THR 115 - HD22 ASN 116 far 0 93 0 - 6.1-8.0 HA ALA 109 - HD22 ASN 116 far 0 97 0 - 6.7-7.6 HA ALA 108 - HD22 ASN 116 far 0 97 0 - 7.1-8.6 HA ALA 110 - HD22 ASN 116 far 0 100 0 - 9.1-10.3 Violated in 20 structures by 1.33 A. Peak 10213 from nnoeabs.peaks (3.92, 7.92, 113.21 ppm; 5.80 A): 2 out of 6 assignments used, quality = 0.94: HB2 SER 107 + HD22 ASN 116 OK 82 100 95 87 3.1-6.6 10110/10222=65...(8) HD3 PRO 117 + HD22 ASN 116 OK 65 65 100 100 3.8-5.1 1.8/10214=75...(14) HA2 GLY 111 - HD22 ASN 116 far 0 99 0 - 7.9-10.8 HB3 SER 60 - HD22 ASN 116 far 0 89 0 - 8.2-11.8 HB2 SER 60 - HD22 ASN 116 far 0 89 0 - 8.9-11.6 HA3 GLY 111 - HD22 ASN 116 far 0 83 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 10214 from nnoeabs.peaks (3.85, 7.92, 113.21 ppm; 6.16 A increased from 5.80 A): 1 out of 3 assignments used, quality = 1.00: HD2 PRO 117 + HD22 ASN 116 OK 100 100 100 100 5.5-6.4 3667/4.6=90...(9) HA2 GLY 114 - HD22 ASN 116 far 3 63 5 - 6.6-9.0 HA LEU 62 - HD22 ASN 116 far 0 98 0 - 9.3-11.1 Violated in 1 structures by 0.01 A. Peak 10216 from nnoeabs.peaks (1.61, 7.01, 113.21 ppm; 6.25 A increased from 5.56 A): 1 out of 3 assignments used, quality = 0.99: HG LEU 119 + HD21 ASN 116 OK 99 99 100 100 1.9-6.0 10221/1.7=100...(13) HG LEU 122 - HD21 ASN 116 far 0 97 0 - 8.0-11.6 HB2 LEU 122 - HD21 ASN 116 far 0 99 0 - 8.9-12.9 Violated in 0 structures by 0.00 A. Peak 10217 from nnoeabs.peaks (1.39, 7.01, 113.21 ppm; 5.13 A increased from 4.82 A): 1 out of 4 assignments used, quality = 0.97: QB ALA 109 + HD21 ASN 116 OK 97 100 100 97 4.3-5.1 10220/1.7=81...(9) QB ALA 108 - HD21 ASN 116 lone 5 99 45 11 4.8-7.7 10104/10210=4...(3) QB ALA 110 - HD21 ASN 116 far 0 98 0 - 8.9-10.3 HB3 LEU 100 - HD21 ASN 116 far 0 96 0 - 9.9-12.0 Violated in 1 structures by 0.00 A. Peak 10218 from nnoeabs.peaks (0.94, 7.01, 113.21 ppm; 5.19 A increased from 4.16 A): 1 out of 8 assignments used, quality = 1.00: QD1 LEU 119 + HD21 ASN 116 OK 100 100 100 100 3.0-5.1 10222/1.7=95...(13) QD1 LEU 62 - HD21 ASN 116 far 3 57 5 - 3.8-8.4 QD2 LEU 53 - HD21 ASN 116 far 0 76 0 - 6.1-9.6 QG1 VAL 112 - HD21 ASN 116 far 0 73 0 - 6.4-8.6 QG2 VAL 112 - HD21 ASN 116 far 0 83 0 - 6.5-7.8 QG1 VAL 105 - HD21 ASN 116 far 0 90 0 - 7.5-9.5 QG1 VAL 57 - HD21 ASN 116 far 0 100 0 - 9.5-13.4 QG2 VAL 126 - HD21 ASN 116 far 0 83 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 10219 from nnoeabs.peaks (0.80, 7.01, 113.21 ppm; 4.36 A): 1 out of 7 assignments used, quality = 0.88: QD1 LEU 103 + HD21 ASN 116 OK 88 93 100 95 1.8-4.3 10223/1.7=44, 11425=36...(16) QD2 LEU 119 - HD21 ASN 116 far 5 100 5 - 2.6-6.4 QD2 LEU 122 - HD21 ASN 116 far 0 98 0 - 5.6-9.5 QG1 VAL 63 - HD21 ASN 116 far 0 95 0 - 7.7-9.6 QD1 LEU 122 - HD21 ASN 116 far 0 97 0 - 8.0-10.3 QD1 LEU 53 - HD21 ASN 116 far 0 100 0 - 8.3-11.8 QD2 LEU 49 - HD21 ASN 116 far 0 100 0 - 8.4-12.0 Violated in 0 structures by 0.00 A. Peak 10220 from nnoeabs.peaks (1.39, 7.92, 113.21 ppm; 5.13 A): 1 out of 3 assignments used, quality = 0.97: QB ALA 109 + HD22 ASN 116 OK 97 100 100 97 3.8-4.7 10217/1.7=77...(10) QB ALA 108 - HD22 ASN 116 far 10 100 10 - 5.5-6.9 QB ALA 110 - HD22 ASN 116 far 0 100 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 10221 from nnoeabs.peaks (1.61, 7.92, 113.21 ppm; 4.66 A): 1 out of 2 assignments used, quality = 0.99: HG LEU 119 + HD22 ASN 116 OK 99 99 100 100 3.1-4.4 2.1/10222=85...(13) HG LEU 122 - HD22 ASN 116 far 0 97 0 - 7.4-10.2 Violated in 0 structures by 0.00 A. Peak 10222 from nnoeabs.peaks (0.95, 7.92, 113.21 ppm; 4.15 A increased from 3.91 A): 1 out of 5 assignments used, quality = 0.97: QD1 LEU 119 + HD22 ASN 116 OK 97 97 100 100 3.1-3.9 2.1/10221=60...(15) QG2 VAL 112 - HD22 ASN 116 far 0 63 0 - 5.7-7.3 QG1 VAL 112 - HD22 ASN 116 far 0 90 0 - 6.1-8.2 QD2 LEU 53 - HD22 ASN 116 far 0 92 0 - 7.1-8.3 QG1 VAL 105 - HD22 ASN 116 far 0 99 0 - 7.8-9.5 Violated in 0 structures by 0.00 A. Peak 10223 from nnoeabs.peaks (0.80, 7.92, 113.21 ppm; 4.30 A): 2 out of 7 assignments used, quality = 0.93: QD1 LEU 103 + HD22 ASN 116 OK 81 83 100 98 2.3-3.1 10219/1.7=75...(16) QD2 LEU 119 + HD22 ASN 116 OK 65 100 65 99 3.4-5.0 2.1/10222=76...(11) QD2 LEU 122 - HD22 ASN 116 far 0 92 0 - 6.3-8.6 QD1 LEU 122 - HD22 ASN 116 far 0 100 0 - 6.9-9.5 QG1 VAL 63 - HD22 ASN 116 far 0 85 0 - 8.1-8.8 QD1 LEU 53 - HD22 ASN 116 far 0 99 0 - 9.1-10.4 QD2 LEU 49 - HD22 ASN 116 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 10229 from nnoeabs.peaks (1.39, 8.45, 123.09 ppm; 5.20 A increased from 4.89 A): 1 out of 3 assignments used, quality = 0.99: QB ALA 109 + H ASN 116 OK 99 100 100 100 4.3-5.2 10191/7612=76...(9) QB ALA 108 - H ASN 116 far 0 99 0 - 8.4-9.5 QB ALA 110 - H ASN 116 far 0 98 0 - 8.9-10.4 Violated in 1 structures by 0.00 A. Peak 10230 from nnoeabs.peaks (0.95, 8.45, 123.09 ppm; 4.25 A): 2 out of 3 assignments used, quality = 0.96: QD1 LEU 119 + H ASN 116 OK 93 93 100 100 1.6-1.9 10295/7616=56...(22) QG1 VAL 112 + H ASN 116 OK 37 96 40 97 3.8-5.0 11552/4.2=58...(7) QD2 LEU 53 - H ASN 116 far 0 97 0 - 6.1-7.5 Violated in 0 structures by 0.00 A. Peak 10245 from nnoeabs.peaks (2.83, 7.75, 118.27 ppm; 5.47 A): 3 out of 4 assignments used, quality = 0.96: HB2 ASN 116 + H VAL 118 OK 78 78 100 100 4.1-4.6 3.0/10251=76...(13) HB3 ASN 120 + H VAL 118 OK 67 68 100 99 5.2-5.6 3.8/7644=73...(11) HB2 ASN 121 + H VAL 118 OK 44 63 70 100 4.4-6.3 ~3735=73, ~3847=72...(21) HB2 ASN 120 - H VAL 118 far 0 68 0 - 6.8-7.3 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 3.7-4.1 10276/3748=68...(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 = 1.00: HB3 LEU 119 + H VAL 118 OK 100 100 100 100 4.8-5.2 3.9/7643=85...(11) HB3 LEU 123 - H VAL 118 far 0 98 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 10255 from nnoeabs.peaks (1.62, 7.75, 118.27 ppm; 4.87 A): 1 out of 4 assignments used, quality = 1.00: HG LEU 119 + H VAL 118 OK 100 100 100 100 3.9-4.4 7654/7643=78...(17) HG LEU 122 - H VAL 118 far 0 93 0 - 6.5-8.8 HB2 LEU 122 - H VAL 118 far 0 97 0 - 9.2-9.6 HG LEU 62 - H VAL 118 far 0 60 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 10256 from nnoeabs.peaks (0.79, 7.75, 118.27 ppm; 5.07 A): 2 out of 8 assignments used, quality = 0.99: QD1 LEU 103 + H VAL 118 OK 96 97 100 100 3.9-4.7 10265/3748=88...(12) QD2 LEU 119 + H VAL 118 OK 84 99 85 100 5.3-5.7 2.1/10255=81...(11) QD2 LEU 122 - H VAL 118 far 15 99 15 - 5.2-7.5 QD1 LEU 122 - H VAL 118 far 0 93 0 - 6.5-8.2 QD1 LEU 53 - H VAL 118 far 0 100 0 - 8.0-9.2 QD2 LEU 49 - H VAL 118 far 0 100 0 - 9.3-9.9 QD1 LEU 96 - H VAL 118 far 0 81 0 - 9.5-10.2 QG1 VAL 63 - H VAL 118 far 0 97 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 10284 from nnoeabs.peaks (2.83, 7.54, 119.74 ppm; 4.82 A): 2 out of 3 assignments used, quality = 0.93: HB2 ASN 116 + H LEU 119 OK 84 85 100 99 3.8-4.7 1.8/10285=77...(10) HB3 ASN 120 + H LEU 119 OK 58 60 100 97 4.8-4.9 3.8/7662=75, 4.4/7690=45...(10) HB2 ASN 120 - H LEU 119 far 0 60 0 - 6.2-6.4 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 1 assignment used, quality = 0.99: HB3 ASN 116 + H LEU 119 OK 99 100 100 99 2.6-4.4 10295/3797=70...(11) Violated in 0 structures by 0.00 A. Peak 10286 from nnoeabs.peaks (4.39, 7.54, 119.74 ppm; 5.26 A): 1 out of 5 assignments used, quality = 0.72: HA PRO 117 + H LEU 119 OK 72 73 100 99 4.3-4.6 3.6/7643=86...(10) HA SER 107 - H LEU 119 far 0 100 0 - 5.9-7.4 HA PRO 113 - H LEU 119 far 0 85 0 - 7.2-9.5 HA THR 115 - H LEU 119 far 0 97 0 - 7.6-8.0 HA HIS 5 - H LEU 119 far 0 83 0 - 9.8-56.7 Violated in 0 structures by 0.00 A. Peak 10298 from nnoeabs.peaks (2.04, 8.08, 117.66 ppm; 5.30 A increased from 4.99 A): 1 out of 5 assignments used, quality = 0.95: HB VAL 118 + H ASN 120 OK 95 96 100 100 4.9-5.2 7648/7662=76...(11) HG2 PRO 117 - H ASN 120 far 0 98 0 - 6.0-6.4 HG3 PRO 117 - H ASN 120 far 0 99 0 - 7.0-7.3 HB2 LEU 62 - H ASN 120 far 0 96 0 - 7.5-8.4 HG3 PRO 113 - H ASN 120 far 0 90 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 10299 from nnoeabs.peaks (2.95, 8.08, 117.66 ppm; 5.52 A increased from 4.65 A): 2 out of 2 assignments used, quality = 0.95: HB3 ASN 116 + H ASN 120 OK 80 85 95 99 4.9-6.6 10295/3804=60...(8) HB3 ASN 121 + H ASN 120 OK 76 78 100 97 4.1-5.5 4.3/7675=66, 7700/4.1=52...(10) Violated in 0 structures by 0.00 A. Peak 10311 from nnoeabs.peaks (0.93, 7.60, 111.74 ppm; 6.80 A): 2 out of 5 assignments used, quality = 0.98: QD1 LEU 119 + HD21 ASN 120 OK 90 90 100 99 4.2-5.8 3804/7677=73, ~10303=67...(8) QD1 LEU 123 + HD21 ASN 120 OK 79 100 80 99 6.7-7.9 11568/3809=65, ~11580=46...(8) QG1 VAL 118 - HD21 ASN 120 far 3 68 5 - 5.5-8.3 QD1 LEU 62 - HD21 ASN 120 lone 3 96 100 3 5.9-7.1 QG2 VAL 112 - HD21 ASN 120 far 0 100 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 10316 from nnoeabs.peaks (2.02, 8.12, 119.98 ppm; 5.40 A increased from 5.08 A): 1 out of 4 assignments used, quality = 0.84: HB3 PRO 117 + H ASN 121 OK 84 96 100 87 4.6-5.2 11589/4.4=30...(8) HG3 PRO 117 - H ASN 121 far 0 57 0 - 7.0-7.5 HB3 LEU 53 - H ASN 121 far 0 65 0 - 7.8-9.0 QE MET 11 - H ASN 121 far 0 83 0 - 9.3-41.6 Violated in 0 structures by 0.00 A. Peak 10317 from nnoeabs.peaks (1.89, 8.12, 119.98 ppm; 5.46 A): 2 out of 3 assignments used, quality = 0.95: HB3 LEU 119 + H ASN 121 OK 86 87 100 99 4.6-4.9 2.9/7691=68, 3.9/7690=62...(10) HB3 LEU 123 + H ASN 121 OK 61 89 75 91 5.5-6.6 3.9/7704=74, 3927/3.6=67 HB3 LEU 49 - H ASN 121 far 0 68 0 - 8.4-9.1 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 - 8.1-8.7 HB3 LEU 98 - H ASN 121 far 0 73 0 - 9.3-11.6 Violated in 20 structures by 2.61 A. Peak 10319 from nnoeabs.peaks (1.61, 8.12, 119.98 ppm; 5.94 A increased from 5.00 A): 3 out of 3 assignments used, quality = 1.00: HB2 LEU 122 + H ASN 121 OK 98 100 100 98 6.2-6.5 4.3/7704=78, ~10323=57...(9) HG LEU 119 + H ASN 121 OK 92 93 100 99 5.6-5.9 3.7/7691=68, 4.6/7690=64...(9) HG LEU 122 + H ASN 121 OK 84 100 85 99 4.3-6.8 10290/3.8=66, ~10323=47...(11) Violated in 0 structures by 0.00 A. Peak 10320 from nnoeabs.peaks (0.99, 8.12, 119.98 ppm; 5.28 A): 2 out of 4 assignments used, quality = 0.94: QG2 VAL 118 + H ASN 121 OK 87 87 100 100 4.8-5.0 2.1/10322=89...(14) QD2 LEU 53 + H ASN 121 OK 54 71 100 77 4.7-5.7 11845/7691=35...(6) QG2 VAL 126 - H ASN 121 far 0 63 0 - 7.2-7.7 QG2 VAL 105 - H ASN 121 far 0 96 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 10321 from nnoeabs.peaks (0.82, 8.12, 119.98 ppm; 5.14 A increased from 4.57 A): 3 out of 5 assignments used, quality = 0.76: QD2 LEU 122 + H ASN 121 OK 54 57 100 94 4.0-5.4 ~10323=34, 10307/3.8=28...(13) QD1 LEU 122 + H ASN 121 OK 33 97 35 97 4.5-6.5 3899/7704=55...(12) QD1 LEU 53 + H ASN 121 OK 23 76 35 85 5.3-6.9 11629/3.6=59...(9) QD2 LEU 119 - H ASN 121 far 0 90 0 - 6.2-6.5 QD2 LEU 49 - H ASN 121 far 0 83 0 - 7.1-7.8 Violated in 0 structures by 0.00 A. Peak 10322 from nnoeabs.peaks (0.91, 8.12, 119.98 ppm; 4.65 A): 1 out of 7 assignments used, quality = 0.96: QG1 VAL 118 + H ASN 121 OK 96 96 100 100 3.9-4.2 3.2/7689=71...(18) QD1 LEU 119 - H ASN 121 far 6 57 10 - 5.2-5.7 QD1 LEU 62 - H ASN 121 far 0 100 0 - 5.5-6.8 QD2 LEU 123 - H ASN 121 far 0 65 0 - 5.7-6.2 QD1 LEU 123 - H ASN 121 far 0 90 0 - 6.9-7.1 QG2 VAL 63 - H ASN 121 far 0 100 0 - 8.7-9.3 QD1 LEU 49 - H ASN 121 far 0 100 0 - 9.5-10.1 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 8 assignments used, quality = 0.00: QG1 VAL 126 - HE21 GLN 68 poor 12 41 30 - 5.4-8.4 QG2 VAL 126 - HE21 GLN 68 far 7 48 15 - 5.9-8.7 QD2 LEU 53 - HD21 ASN 121 far 0 99 0 - 7.5-8.6 QG1 VAL 126 - HE21 GLN 134 far 0 62 0 - 8.3-9.8 QD2 LEU 53 - HE21 GLN 68 far 0 50 0 - 8.5-13.1 QG2 VAL 105 - HD21 ASN 121 far 0 57 0 - 8.7-9.5 QG2 VAL 126 - HD21 ASN 121 far 0 97 0 - 8.8-9.4 QG1 VAL 57 - HE21 GLN 68 far 0 30 0 - 9.5-11.9 Violated in 14 structures by 0.60 A. Peak 10329 from nnoeabs.peaks (0.89, 6.88, 112.45 ppm; 4.27 A): 2 out of 11 assignments used, quality = 0.99: QG1 VAL 118 + HD21 ASN 121 OK 99 99 100 100 3.8-4.3 11602/3.5=54...(33) QD2 LEU 69 + HE21 GLN 68 OK 23 33 80 87 2.8-5.2 11048/4.6=34...(12) QD1 LEU 49 - HE21 GLN 68 poor 11 37 30 - 2.9-6.1 QD2 LEU 48 - HE21 GLN 68 far 2 42 5 - 4.3-6.8 QD2 LEU 98 - HD21 ASN 121 far 0 90 0 - 6.4-9.1 QD1 LEU 62 - HD21 ASN 121 far 0 81 0 - 8.0-9.6 QD2 LEU 123 - HD21 ASN 121 far 0 99 0 - 8.6-9.5 QD1 LEU 62 - HE21 GLN 68 far 0 36 0 - 9.2-12.0 QG2 VAL 63 - HE21 GLN 68 far 0 40 0 - 9.2-10.8 QG2 VAL 63 - HD21 ASN 121 far 0 87 0 - 9.4-10.3 QD2 LEU 69 - HE21 GLN 134 far 0 51 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 10330 from nnoeabs.peaks (1.41, 6.88, 112.45 ppm; 6.80 A): 0 out of 7 assignments used, quality = 0.00: HG2 LYS 95 - HD21 ASN 121 lone 2 85 25 7 7.1-10.3 ~2646=5 HG3 LYS 95 - HD21 ASN 121 far 0 81 0 - 7.5-10.3 HB2 LEU 96 - HD21 ASN 121 far 0 68 0 - 8.6-9.5 HB2 LEU 42 - HE21 GLN 134 far 0 41 0 - 8.9-10.5 HG LEU 96 - HE21 GLN 68 far 0 49 0 - 9.7-12.0 QB ALA 15 - HE21 GLN 68 far 0 32 0 - 9.7-33.8 QB ALA 92 - HD21 ASN 121 far 0 76 0 - 9.9-11.0 Violated in 6 structures by 0.08 A. Peak 10331 from nnoeabs.peaks (1.65, 6.88, 112.45 ppm; 6.80 A): 1 out of 8 assignments used, quality = 0.75: HG LEU 43 + HE21 GLN 134 OK 75 75 100 100 5.3-6.8 ~10630=99, ~9117=97...(6) HB2 LEU 69 - HE21 GLN 68 poor 11 36 30 - 6.2-8.6 HG LEU 119 - HD21 ASN 121 far 3 68 5 - 7.4-8.3 HB2 LEU 98 - HD21 ASN 121 lone 2 100 60 3 6.5-9.3 HB2 LEU 123 - HD21 ASN 121 far 0 100 0 - 8.0-8.6 HD3 LYS 95 - HD21 ASN 121 far 0 97 0 - 8.6-10.8 HD2 LYS 95 - HD21 ASN 121 far 0 99 0 - 9.1-10.6 HD3 LYS 36 - HE21 GLN 68 far 0 34 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 10332 from nnoeabs.peaks (1.00, 7.78, 112.45 ppm; 5.15 A increased from 4.85 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 118 + HD22 ASN 121 OK 100 100 100 100 4.3-5.0 3.2/10335=74...(29) QG2 VAL 105 - HD22 ASN 121 far 0 100 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 10333 from nnoeabs.peaks (0.90, 7.78, 112.45 ppm; 5.67 A increased from 5.04 A): 1 out of 4 assignments used, quality = 1.00: QG1 VAL 118 + HD22 ASN 121 OK 100 100 100 100 5.2-5.4 2.1/10332=89...(32) QD2 LEU 98 - HD22 ASN 121 far 12 81 15 - 5.5-8.5 QD2 LEU 123 - HD22 ASN 121 far 0 95 0 - 9.3-10.2 QD1 LEU 62 - HD22 ASN 121 far 0 90 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 10334 from nnoeabs.peaks (0.80, 7.78, 112.45 ppm; 6.80 A): 1 out of 7 assignments used, quality = 0.92: QD2 LEU 122 + HD22 ASN 121 OK 92 97 95 100 5.2-7.5 ~10290=70, ~11092=67...(10) QD1 LEU 122 - HD22 ASN 121 far 15 97 15 - 5.6-8.6 QD1 LEU 103 - HD22 ASN 121 far 0 92 0 - 7.6-8.9 QD1 LEU 96 - HD22 ASN 121 far 0 71 0 - 8.4-9.1 QD1 LEU 53 - HD22 ASN 121 far 0 100 0 - 9.0-11.1 QD2 LEU 119 - HD22 ASN 121 far 0 100 0 - 9.4-10.2 QD2 LEU 49 - HD22 ASN 121 far 0 100 0 - 9.8-10.7 Violated in 1 structures by 0.04 A. Peak 10335 from nnoeabs.peaks (3.83, 7.78, 112.45 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.85: HA VAL 118 + HD22 ASN 121 OK 85 85 100 100 3.8-4.6 3839/3.5=58, 3847/3.5=58...(33) HD2 PRO 117 - HD22 ASN 121 far 0 71 0 - 7.6-9.3 Violated in 0 structures by 0.00 A. Peak 10336 from nnoeabs.peaks (3.83, 6.88, 112.45 ppm; 5.06 A): 2 out of 11 assignments used, quality = 0.98: HA VAL 118 + HD21 ASN 121 OK 97 97 100 100 2.1-2.9 10335/1.7=86...(32) HB2 SER 130 + HE21 GLN 134 OK 40 76 55 95 4.3-7.2 11720/9118=61, ~10494=48...(7) HA GLU 40 - HE21 GLN 134 far 0 63 0 - 6.0-8.6 HA LEU 62 - HE21 GLN 68 far 0 37 0 - 7.4-10.0 HB3 SER 9 - HD21 ASN 121 far 0 81 0 - 8.2-47.3 HB2 SER 50 - HE21 GLN 134 far 0 69 0 - 9.1-11.5 HA LEU 123 - HE21 GLN 68 far 0 34 0 - 9.7-14.0 HB2 SER 50 - HE21 GLN 68 far 0 46 0 - 9.7-14.4 HA LEU 123 - HD21 ASN 121 far 0 78 0 - 9.8-10.2 HB2 SER 9 - HD21 ASN 121 far 0 78 0 - 9.9-48.9 HB2 SER 130 - HE21 GLN 68 far 0 52 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 10352 from nnoeabs.peaks (2.80, 7.95, 113.43 ppm; 4.85 A): 1 out of 3 assignments used, quality = 0.95: HB2 ASN 120 + H SER 124 OK 95 100 100 95 4.4-5.0 10300/7770=61...(6) HB3 ASN 120 - H SER 124 far 0 100 0 - 5.7-5.9 HB2 ASN 121 - H SER 124 far 0 100 0 - 5.7-6.3 Violated in 1 structures by 0.01 A. Peak 10359 from nnoeabs.peaks (2.22, 8.04, 119.83 ppm; 5.44 A increased from 4.83 A): 2 out of 3 assignments used, quality = 1.00: HB3 GLN 127 + H CYS 125 OK 99 100 100 99 4.6-5.5 4049/3.6=82...(9) HB3 LEU 96 + H CYS 125 OK 70 95 75 99 5.1-6.2 11655/7783=72...(12) HB3 GLU 128 - H CYS 125 far 0 100 0 - 6.0-6.8 Violated in 0 structures by 0.00 A. Peak 10360 from nnoeabs.peaks (2.08, 8.04, 119.83 ppm; 4.81 A increased from 4.53 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLU 128 + H CYS 125 OK 100 100 100 100 4.6-5.1 3986/2.9=84, ~3987=53...(20) HB VAL 126 + H CYS 125 OK 62 63 100 99 4.4-4.6 3.7/7792=77...(14) HB2 GLN 127 - H CYS 125 far 0 83 0 - 5.9-6.7 HB2 LEU 62 - H CYS 125 far 0 83 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 10363 from nnoeabs.peaks (1.62, 8.04, 119.83 ppm; 5.51 A): 1 out of 2 assignments used, quality = 0.97: HB2 LEU 122 + H CYS 125 OK 97 97 100 100 5.0-5.3 3.1/10366=88...(15) HG LEU 122 - H CYS 125 far 5 93 5 - 5.5-7.1 Violated in 0 structures by 0.00 A. Peak 10365 from nnoeabs.peaks (0.95, 8.04, 119.83 ppm; 4.67 A increased from 4.16 A): 2 out of 5 assignments used, quality = 0.99: QG2 VAL 126 + H CYS 125 OK 99 99 100 100 4.3-4.6 11603=94, 4021/7792=79...(20) QD1 LEU 123 + H CYS 125 OK 62 63 100 99 4.4-4.7 4.7/7776=45, ~7765=42...(15) QG1 VAL 126 - H CYS 125 far 0 100 0 - 5.6-5.7 QD2 LEU 53 - H CYS 125 far 0 97 0 - 6.1-7.2 QD1 LEU 119 - H CYS 125 far 0 93 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 10366 from nnoeabs.peaks (0.79, 8.04, 119.83 ppm; 4.24 A): 1 out of 9 assignments used, quality = 0.46: QD2 LEU 122 + H CYS 125 OK 46 99 50 93 4.6-6.3 11828/3.9=42...(13) QD1 LEU 122 - H CYS 125 poor 19 93 20 - 4.6-6.4 QD1 LEU 53 - H CYS 125 far 5 100 5 - 4.8-7.3 QD1 LEU 96 - H CYS 125 far 0 81 0 - 5.1-5.6 QD2 LEU 49 - H CYS 125 far 0 100 0 - 5.6-6.3 QG2 ILE 129 - H CYS 125 far 0 60 0 - 7.6-7.9 QD1 LEU 103 - H CYS 125 far 0 97 0 - 9.3-10.1 QD2 LEU 119 - H CYS 125 far 0 99 0 - 9.5-10.2 QD1 LEU 70 - H CYS 125 far 0 68 0 - 9.6-10.3 Violated in 20 structures by 0.79 A. Peak 10374 from nnoeabs.peaks (2.08, 7.95, 113.43 ppm; 6.23 A): 3 out of 5 assignments used, quality = 0.97: HB VAL 126 + H SER 124 OK 78 78 100 100 5.3-5.6 3.7/7790=86, 3917/3.6=72...(11) HB2 GLN 127 + H SER 124 OK 68 68 100 100 5.9-6.4 ~4049=83, ~4049=80...(19) HB2 GLU 128 + H SER 124 OK 60 100 80 75 6.4-7.0 10360/3.4=54...(4) HB2 LEU 62 - H SER 124 far 0 68 0 - 9.1-11.2 HB VAL 118 - H SER 124 far 0 68 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 10392 from nnoeabs.peaks (3.86, 8.29, 121.89 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.99: HA LEU 123 + H VAL 126 OK 98 98 100 100 3.5-3.9 3916=97, 3.6/7790=94...(15) HB2 SER 50 + H VAL 126 OK 65 85 90 84 5.8-7.6 10393/4.0=42...(8) HA LEU 70 - H VAL 126 far 0 71 0 - 9.3-9.7 HA LEU 62 - H VAL 126 far 0 97 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 10399 from nnoeabs.peaks (0.79, 8.29, 121.89 ppm; 4.13 A): 4 out of 8 assignments used, quality = 1.00: QD2 LEU 49 + H VAL 126 OK 93 99 100 94 4.1-4.6 11681/4021=55...(13) QD1 LEU 96 + H VAL 126 OK 84 85 100 99 3.6-3.9 11452/2.9=40...(23) QD2 LEU 122 + H VAL 126 OK 71 100 75 95 4.2-6.1 10366/7792=53...(14) QD1 LEU 53 + H VAL 126 OK 43 100 60 72 4.3-6.8 11585/7790=32...(14) QD1 LEU 122 - H VAL 126 poor 19 90 25 85 3.7-5.7 3.1/10405=48...(11) QD1 LEU 70 - H VAL 126 far 0 63 0 - 8.4-9.0 QD1 LEU 103 - H VAL 126 far 0 98 0 - 9.5-10.3 QD2 LEU 119 - H VAL 126 far 0 97 0 - 9.8-10.3 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 3.5-4.3 11639/2.9=98...(38) QD1 LEU 42 - H VAL 126 far 0 97 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 10405 from nnoeabs.peaks (1.60, 8.29, 121.89 ppm; 4.80 A): 1 out of 5 assignments used, quality = 0.86: HB2 LEU 122 + H VAL 126 OK 86 96 100 90 3.7-4.4 11677/4021=39...(12) HG LEU 122 - H VAL 126 far 0 99 0 - 5.6-6.6 HG LEU 123 - H VAL 126 far 0 60 0 - 5.8-6.5 HG LEU 49 - H VAL 126 far 0 73 0 - 7.0-7.5 HG LEU 70 - H VAL 126 far 0 92 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 10419 from nnoeabs.peaks (3.82, 6.82, 112.36 ppm; 5.84 A): 1 out of 4 assignments used, quality = 0.84: HB2 SER 50 + HE21 GLN 127 OK 84 87 100 97 2.8-5.9 10420/1.7=50...(10) HA LEU 123 - HE21 GLN 127 far 3 63 5 - 3.7-7.6 HB2 SER 130 - HE21 GLN 127 far 0 100 0 - 6.7-10.4 HA LEU 62 - HE21 GLN 127 far 0 68 0 - 9.5-15.2 Violated in 3 structures by 0.01 A. Peak 10420 from nnoeabs.peaks (3.82, 7.48, 112.36 ppm; 5.53 A): 2 out of 3 assignments used, quality = 0.97: HB2 SER 50 + HE22 GLN 127 OK 90 92 100 98 2.4-4.5 10419/1.7=76...(10) HA LEU 123 + HE22 GLN 127 OK 70 71 100 99 2.6-6.0 4.0/10434=86...(6) HB2 SER 130 - HE22 GLN 127 far 0 100 0 - 7.6-10.1 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 3 assignments used, quality = 0.99: HB2 CYS 125 + H GLU 128 OK 99 99 100 100 5.1-5.6 3.0/7839=100...(9) HB2 ASP 131 + H GLU 128 OK 63 63 100 100 5.0-5.5 ~4086=94, ~4201=93...(11) HB2 ASP 47 - H GLU 128 far 0 63 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 10430 from nnoeabs.peaks (1.57, 6.82, 112.36 ppm; 4.62 A): 0 out of 2 assignments used, quality = 0.00: HG LEU 123 - HE21 GLN 127 poor 20 99 20 - 5.1-5.9 HG LEU 49 - HE21 GLN 127 far 0 100 0 - 6.2-12.7 Violated in 20 structures by 0.88 A. Peak 10431 from nnoeabs.peaks (0.91, 6.82, 112.36 ppm; 3.82 A increased from 3.60 A): 1 out of 6 assignments used, quality = 0.90: QD1 LEU 123 + HE21 GLN 127 OK 90 90 100 99 2.8-3.8 10434/1.7=81...(11) QD1 LEU 49 - HE21 GLN 127 far 5 100 5 - 4.2-10.4 QD2 LEU 123 - HE21 GLN 127 far 0 65 0 - 4.8-5.1 QD1 LEU 48 - HE21 GLN 127 far 0 96 0 - 8.0-13.4 QD2 LEU 48 - HE21 GLN 127 far 0 100 0 - 8.0-12.9 QD1 LEU 62 - HE21 GLN 127 far 0 100 0 - 8.0-11.7 Violated in 0 structures by 0.00 A. Peak 10433 from nnoeabs.peaks (1.56, 7.48, 112.36 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: HG LEU 123 + HE22 GLN 127 OK 100 100 100 100 3.7-4.7 2.1/10434=95, ~10431=67...(8) HG LEU 49 - HE22 GLN 127 far 0 99 0 - 7.1-11.1 HB2 LEU 119 - HE22 GLN 127 far 0 83 0 - 10.0-11.6 Violated in 1 structures by 0.00 A. Peak 10434 from nnoeabs.peaks (0.92, 7.48, 112.36 ppm; 3.54 A): 1 out of 6 assignments used, quality = 0.95: QD1 LEU 123 + HE22 GLN 127 OK 95 97 100 99 1.8-2.4 10431/1.7=65...(12) QD1 LEU 49 - HE22 GLN 127 far 0 100 0 - 5.2-9.1 QD1 LEU 62 - HE22 GLN 127 far 0 100 0 - 7.9-10.3 QD2 LEU 48 - HE22 GLN 127 far 0 99 0 - 9.3-11.7 QD1 LEU 48 - HE22 GLN 127 far 0 99 0 - 9.3-12.2 QG1 VAL 118 - HE22 GLN 127 far 0 89 0 - 9.6-12.3 Violated in 0 structures by 0.00 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 4.1-4.8 10444/3.6=71...(11) HG LEU 96 - H GLU 128 far 0 63 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 10440 from nnoeabs.peaks (0.94, 7.88, 119.85 ppm; 4.92 A): 3 out of 4 assignments used, quality = 1.00: QG1 VAL 126 + H GLU 128 OK 97 97 100 100 4.4-4.8 10394/3.6=78...(16) QG2 VAL 126 + H GLU 128 OK 87 87 100 100 5.1-5.3 4026/3.2=62, ~7809=53...(14) QD1 LEU 123 + H GLU 128 OK 80 87 100 92 4.7-5.1 11578/4076=41...(9) QD2 LEU 53 - H GLU 128 far 0 81 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 10441 from nnoeabs.peaks (0.83, 7.88, 119.85 ppm; 5.94 A increased from 5.59 A): 1 out of 4 assignments used, quality = 0.99: QG2 ILE 129 + H GLU 128 OK 99 99 100 100 5.5-5.8 7870/7855=89...(9) QD1 LEU 122 - H GLU 128 far 0 81 0 - 7.0-9.1 QD2 LEU 70 - H GLU 128 far 0 60 0 - 8.6-9.2 QG1 VAL 133 - H GLU 128 far 0 98 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 10475 from nnoeabs.peaks (0.96, 8.00, 119.54 ppm; 4.90 A increased from 4.61 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 126 + H ILE 129 OK 100 100 100 100 4.2-5.0 3.2/4006=69...(11) QG2 VAL 126 + H ILE 129 OK 99 100 100 100 4.9-5.3 11692/7873=71...(10) QD2 LEU 53 - H ILE 129 far 0 100 0 - 9.8-11.2 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 3.1-3.9 9952/2.9=77...(18) Violated in 0 structures by 0.00 A. Peak 10497 from nnoeabs.peaks (0.97, 8.04, 112.76 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.90: QG1 VAL 126 + H SER 130 OK 90 92 100 98 3.9-4.2 11618/7883=49...(12) QG2 VAL 126 - H SER 130 far 0 99 0 - 5.6-6.1 Violated in 0 structures by 0.00 A. Peak 10498 from nnoeabs.peaks (1.36, 8.04, 112.76 ppm; 5.55 A): 1 out of 3 assignments used, quality = 0.92: QB ALA 46 + H SER 130 OK 92 92 100 100 2.6-3.5 11718/7889=78...(13) HB2 LEU 42 - H SER 130 far 0 78 0 - 7.2-8.3 HB2 LEU 96 - H SER 130 far 0 73 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 10499 from nnoeabs.peaks (2.21, 8.04, 112.76 ppm; 6.35 A): 3 out of 5 assignments used, quality = 1.00: HB3 GLU 128 + H SER 130 OK 97 97 100 100 5.9-6.3 3.6/7879=88, 7865/3.6=85...(8) HB3 GLN 127 + H SER 130 OK 95 96 100 100 6.0-6.5 3.0/4036=97, 4.7/7879=77...(4) HB VAL 133 + H SER 130 OK 73 73 100 100 4.6-5.9 2.1/10562=97, ~11861=77...(16) HB3 LEU 96 - H SER 130 far 0 78 0 - 7.9-8.6 HG2 GLU 91 - H SER 130 far 0 95 0 - 9.9-12.8 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 15 assignments used, quality = 0.88: HB2 LEU 123 + H LEU 123 OK 77 77 100 100 2.1-2.5 3.9=100 HB2 LEU 122 + H LEU 123 OK 50 51 100 99 3.2-3.9 4.3=84, 3.1/3899=44...(14) HD2 LYS 26 - H GLU 30 far 6 64 10 - 4.1-7.6 HD3 LYS 26 - H GLU 30 far 0 69 0 - 5.0-7.9 HG LEU 43 - H ASP 131 far 0 99 0 - 6.8-7.8 HG LEU 119 - H LEU 123 far 0 77 0 - 6.9-7.5 HD2 LYS 31 - H GLU 30 far 0 62 0 - 7.0-8.9 QB ALA 88 - H ASP 131 far 0 71 0 - 7.0-7.8 HD3 LYS 31 - H GLU 30 far 0 64 0 - 7.4-9.6 HG LEU 62 - H LEU 123 far 0 80 0 - 7.5-9.0 HG3 ARG 23 - H GLU 30 far 0 89 0 - 8.6-19.9 HG LEU 22 - H GLU 30 far 0 75 0 - 8.6-21.9 HB2 LEU 98 - H LEU 123 far 0 74 0 - 9.4-11.9 HB3 LEU 22 - H GLU 30 far 0 75 0 - 9.5-21.5 HD3 LYS 95 - H LEU 123 far 0 60 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 10511 from nnoeabs.peaks (1.15, 8.27, 119.63 ppm; 4.10 A): 2 out of 6 assignments used, quality = 0.99: QG2 VAL 132 + H ASP 131 OK 98 98 100 100 3.6-4.2 10518/7904=57, 11651=50...(24) HG12 ILE 32 + H GLU 30 OK 43 82 65 80 4.2-5.7 10738/3.6=43...(10) HB3 LEU 62 - H LEU 123 far 0 87 0 - 5.7-8.7 QG1 VAL 132 - H ASP 131 far 0 89 0 - 5.8-6.2 HG3 LYS 39 - H ASP 131 far 0 98 0 - 8.2-9.1 HG2 LYS 39 - H ASP 131 far 0 95 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 10512 from nnoeabs.peaks (0.93, 8.27, 119.63 ppm; 4.18 A): 1 out of 12 assignments used, quality = 0.87: QD1 LEU 123 + H LEU 123 OK 87 87 100 100 4.0-4.2 3952=95, 2.1/3944=65...(11) QD1 LEU 62 - H LEU 123 poor 15 77 20 - 4.4-5.8 QG1 VAL 118 - H LEU 123 far 0 49 0 - 5.2-6.0 QG1 VAL 126 - H LEU 123 far 0 46 0 - 5.6-6.1 QG1 VAL 126 - H ASP 131 far 0 60 0 - 5.9-6.4 QD1 LEU 49 - H LEU 123 far 0 75 0 - 6.2-6.8 QD1 LEU 119 - H LEU 123 far 0 77 0 - 6.8-7.3 QD1 LEU 123 - H ASP 131 far 0 100 0 - 7.6-8.2 QG2 VAL 63 - H LEU 123 far 0 72 0 - 8.3-9.1 QD1 LEU 49 - H ASP 131 far 0 92 0 - 8.7-9.3 QG1 VAL 20 - H GLU 30 far 0 73 0 - 9.2-19.3 QG1 VAL 57 - H LEU 123 far 0 64 0 - 9.9-11.1 Violated in 1 structures by 0.00 A. Peak 10513 from nnoeabs.peaks (0.81, 8.27, 119.63 ppm; 3.96 A): 4 out of 14 assignments used, quality = 0.92: QD1 LEU 53 + H LEU 123 OK 67 72 95 99 1.9-4.6 2.1/11818=43...(21) QD2 LEU 122 + H LEU 123 OK 52 58 95 95 3.7-4.6 2.1/3899=49, 3.1/7744=32...(12) QD1 LEU 122 + H LEU 123 OK 37 86 45 95 2.5-4.9 3899=54, 3.1/7744=32...(14) QD2 LEU 49 + H LEU 123 OK 23 77 70 44 3.9-4.7 9206/2.9=24, 3872/4.3=7...(6) QG2 ILE 129 - H ASP 131 far 0 97 0 - 4.9-5.5 QG1 VAL 133 - H ASP 131 far 0 68 0 - 5.1-6.6 QD2 LEU 119 - H LEU 123 far 0 82 0 - 6.4-6.9 QD1 LEU 103 - H LEU 123 far 0 46 0 - 6.7-7.6 QD1 LEU 53 - H ASP 131 far 0 89 0 - 9.3-11.8 QG1 VAL 63 - H LEU 123 far 0 49 0 - 9.3-10.2 QG2 ILE 80 - H ASP 131 far 0 100 0 - 9.4-10.3 QG2 ILE 129 - H LEU 123 far 0 81 0 - 9.7-10.1 QD2 LEU 49 - H ASP 131 far 0 93 0 - 9.8-10.2 HG13 ILE 80 - H ASP 131 far 0 95 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 10522 from nnoeabs.peaks (0.83, 8.47, 118.09 ppm; 5.05 A increased from 4.75 A): 1 out of 8 assignments used, quality = 0.95: QG2 ILE 129 + H VAL 132 OK 95 96 100 100 4.5-5.2 11747/7917=72...(12) QG1 VAL 133 - H VAL 132 poor 20 100 20 - 5.2-6.0 QD1 LEU 98 - H SER 9 far 2 37 5 - 5.5-35.7 QD2 LEU 22 - H SER 9 far 0 70 0 - 6.9-30.9 QG2 ILE 80 - H VAL 132 far 0 83 0 - 7.6-8.4 HG13 ILE 80 - H VAL 132 far 0 97 0 - 8.1-8.8 QD1 LEU 70 - H SER 9 far 0 62 0 - 9.8-35.0 QG2 ILE 129 - H SER 9 far 0 66 0 - 9.8-39.9 Violated in 2 structures by 0.01 A. Peak 10525 from nnoeabs.peaks (2.05, 8.47, 118.09 ppm; 5.54 A): 1 out of 10 assignments used, quality = 0.90: HG3 ARG 135 + H VAL 132 OK 90 90 100 100 4.1-5.3 10526/3.0=83, ~10527=69...(25) QE MET 11 - H SER 9 poor 14 70 20 - 3.9-10.2 HB2 GLN 134 - H VAL 132 far 6 63 10 - 5.6-7.2 HB3 GLU 91 - H SER 9 far 3 60 5 - 4.4-49.7 HB3 MET 11 - H SER 9 far 2 43 5 - 5.2-10.7 HB2 GLN 127 - H VAL 132 far 0 99 0 - 7.7-8.5 QE MET 11 - H VAL 132 far 0 99 0 - 8.3-42.2 HB2 GLN 127 - H SER 9 far 0 70 0 - 8.5-56.4 HG3 ARG 135 - H SER 9 far 0 60 0 - 8.9-55.8 HG3 PRO 81 - H VAL 132 far 0 100 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 10548 from nnoeabs.peaks (7.31, 8.14, 117.00 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: H ARG 135 + H VAL 133 OK 100 100 100 100 3.7-4.1 10611=99, 7972/7936=82...(12) HZ PHE 89 - H VAL 133 far 0 100 0 - 5.6-7.2 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 5.5-6.6 9117/11075=85...(6) Violated in 0 structures by 0.00 A. Peak 10550 from nnoeabs.peaks (6.48, 8.14, 117.00 ppm; 6.19 A increased from 5.51 A): 2 out of 2 assignments used, quality = 0.99: QE TYR 76 + H VAL 133 OK 97 97 100 100 5.0-6.0 9631/7935=87...(10) QD TYR 76 + H VAL 133 OK 84 85 100 99 6.2-6.8 ~10559=71, ~10559=68...(9) Violated in 0 structures by 0.00 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 3.4-4.1 11075=81, 11777/4245=71...(15) HG12 ILE 129 - H VAL 133 far 0 96 0 - 6.8-7.6 QD2 LEU 96 - H VAL 133 far 0 97 0 - 8.7-9.4 QG1 VAL 93 - H VAL 133 far 0 96 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 10582 from nnoeabs.peaks (2.06, 8.14, 117.00 ppm; 5.12 A): 2 out of 6 assignments used, quality = 0.92: HG3 GLN 134 + H VAL 133 OK 73 73 100 99 3.6-5.7 9127/11075=64...(12) HG3 ARG 135 + H VAL 133 OK 69 71 100 98 4.0-5.2 10526/3.6=55...(8) HG3 PRO 81 - H VAL 133 far 0 99 0 - 7.1-8.8 HB2 GLU 128 - H VAL 133 far 0 76 0 - 8.0-8.8 HB3 LYS 39 - H VAL 133 far 0 81 0 - 8.1-8.9 HB2 GLN 127 - H VAL 133 far 0 100 0 - 9.4-10.0 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 3.5-4.8 4.9/7936=92...(9) HB2 ASN 85 + H VAL 133 OK 54 65 100 82 4.5-6.9 ~11929=50...(4) 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 2 assignments used, quality = 0.95: QD2 LEU 43 + H GLN 134 OK 95 95 100 100 3.0-3.9 9116=78, 11777/4250=68...(17) HG12 ILE 129 - H GLN 134 far 0 99 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 10606 from nnoeabs.peaks (1.17, 7.49, 116.34 ppm; 5.63 A increased from 5.01 A): 1 out of 2 assignments used, quality = 0.88: HG3 LYS 39 + H GLN 134 OK 88 96 100 92 5.0-5.6 11073/10593=53...(11) QG2 VAL 77 - H GLN 134 far 0 95 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 10607 from nnoeabs.peaks (1.72, 7.49, 116.34 ppm; 5.57 A): 2 out of 5 assignments used, quality = 0.97: HG2 ARG 135 + H GLN 134 OK 95 97 100 97 3.5-5.6 7983/7972=92...(4) HD3 LYS 39 + H GLN 134 OK 39 99 40 97 5.1-7.0 3.0/10606=70...(9) HB2 LEU 43 - H GLN 134 far 0 99 0 - 6.6-7.9 HG13 ILE 129 - H GLN 134 far 0 73 0 - 8.9-9.8 HB ILE 80 - H GLN 134 far 0 89 0 - 9.5-10.0 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 3.7-4.1 10548=85, 7936/7972=77...(12) Violated in 0 structures by 0.00 A. Peak 10612 from nnoeabs.peaks (7.07, 7.31, 125.67 ppm; 4.80 A increased from 4.27 A): 1 out of 2 assignments used, quality = 0.85: HE ARG 135 + H ARG 135 OK 85 85 100 100 3.4-4.9 11865=80, 10615/7983=75...(16) QD PHE 89 - H ARG 135 far 0 100 0 - 6.3-7.2 Violated in 2 structures by 0.01 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 3.5-4.0 10527/7983=54...(16) 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 3.6-4.0 3.6/7972=87...(10) HA SER 130 - H ARG 135 far 0 96 0 - 6.4-7.4 HB2 SER 130 - H ARG 135 far 0 63 0 - 7.3-9.3 HB3 SER 130 - H ARG 135 far 0 83 0 - 7.9-9.3 HA LEU 43 - H ARG 135 far 0 95 0 - 9.0-9.8 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 = 0.26: HB2 SER 130 + HE22 GLN 134 OK 26 81 40 82 4.0-7.3 11720/10630=43...(7) HA SER 130 - HE22 GLN 134 far 13 85 15 - 4.7-6.5 HB3 SER 130 - HE22 GLN 134 far 7 65 10 - 4.5-5.9 HA LEU 43 - HE22 GLN 134 far 0 83 0 - 4.9-6.6 Violated in 18 structures by 1.05 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 5.5-6.9 11678/10630=98...(9) QD1 LEU 69 - HE22 GLN 134 far 0 68 0 - 8.3-9.6 Violated in 4 structures by 0.01 A. Peak 10630 from nnoeabs.peaks (0.76, 7.13, 112.66 ppm; 3.76 A): 1 out of 2 assignments used, quality = 0.97: QD2 LEU 43 + HE22 GLN 134 OK 97 97 100 100 1.9-3.9 9117=63, 2.1/11919=56...(14) HG12 ILE 129 - HE22 GLN 134 far 0 92 0 - 9.3-12.3 Violated in 1 structures by 0.00 A. Peak 10631 from nnoeabs.peaks (1.13, 7.31, 125.67 ppm; 4.94 A increased from 4.65 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 132 + H ARG 135 OK 100 100 100 100 4.5-4.9 3.2/10624=78...(13) QG2 VAL 132 + H ARG 135 OK 34 99 35 99 5.3-5.7 3.2/10624=78...(11) HG2 LYS 39 - H ARG 135 far 0 100 0 - 5.9-8.2 HG3 LYS 39 - H ARG 135 far 0 73 0 - 6.4-7.0 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 4.9-5.3 7946/7972=84...(13) Violated in 0 structures by 0.00 A. Peak 10633 from nnoeabs.peaks (0.81, 7.31, 125.67 ppm; 5.56 A): 1 out of 4 assignments used, quality = 0.71: QG1 VAL 133 + H ARG 135 OK 71 71 100 100 4.1-4.8 4.3/7972=87...(14) QG2 ILE 80 - H ARG 135 far 0 100 0 - 6.4-7.4 HG13 ILE 80 - H ARG 135 far 0 96 0 - 6.7-8.4 QG2 ILE 129 - H ARG 135 far 0 97 0 - 7.5-8.3 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 3 assignments used, quality = 1.00: * HD2 HIS 10 + H HIS 10 OK 100 100 100 100 2.9-5.9 6.0=100 QE PHE 87 - H HIS 10 far 0 99 0 - 7.2-46.8 HE ARG 84 - H HIS 10 far 0 97 0 - 8.8-56.7 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 7 assignments used, quality = 0.96: QB ALA 12 + H MET 11 OK 96 97 100 100 4.8-5.8 ~6074=74, ~132=73...(5) HG2 LYS 19 - H MET 11 far 5 99 5 - 4.1-26.3 QB ALA 21 - H MET 11 far 0 60 0 - 7.1-22.3 QB ALA 15 - H MET 11 far 0 96 0 - 7.2-13.9 HG2 LYS 95 - H MET 11 far 0 89 0 - 8.7-42.4 HG3 LYS 31 - H MET 11 far 0 83 0 - 8.9-40.1 HG3 LYS 95 - H MET 11 far 0 92 0 - 9.1-40.7 Violated in 1 structures by 0.00 A. Peak 10653 from nnoeabs.peaks (2.02, 8.44, 118.33 ppm; 5.47 A increased from 5.15 A): 1 out of 6 assignments used, quality = 0.81: HB3 MET 11 + H ASN 13 OK 81 100 100 81 4.5-5.3 6076/4.3=80, 7958/5.6=2 HB3 GLU 91 - H ASN 13 far 9 93 10 - 2.6-41.2 QE MET 11 - H ASN 13 far 8 78 10 - 3.7-8.3 HB2 GLU 91 - H ASN 13 far 7 73 10 - 3.4-40.7 HB VAL 20 - H ASN 13 far 4 89 5 - 4.9-20.0 HG2 ARG 90 - H ASN 13 far 0 100 0 - 9.5-36.1 Violated in 0 structures by 0.00 A. Peak 10655 from nnoeabs.peaks (1.37, 7.60, 112.82 ppm; 5.72 A increased from 5.38 A): 1 out of 6 assignments used, quality = 0.98: QB ALA 12 + HD21 ASN 13 OK 98 99 100 99 3.3-5.5 10657/1.7=93...(4) QB ALA 15 - HD21 ASN 13 far 14 92 15 - 3.4-8.9 HG2 LYS 19 - HD21 ASN 13 far 5 100 5 - 5.3-20.2 HG3 LYS 95 - HD21 ASN 13 far 0 87 0 - 8.6-40.5 QB ALA 21 - HD21 ASN 13 far 0 68 0 - 8.9-18.0 HG2 LYS 95 - HD21 ASN 13 far 0 83 0 - 9.0-42.1 Violated in 0 structures by 0.00 A. Peak 10657 from nnoeabs.peaks (1.36, 6.90, 112.82 ppm; 5.12 A increased from 4.81 A): 1 out of 9 assignments used, quality = 0.95: QB ALA 12 + HD22 ASN 13 OK 95 100 100 95 4.2-4.9 10655/1.7=67...(4) QB ALA 15 - HD22 ASN 13 poor 17 87 20 - 2.1-8.2 QB ALA 46 - HE21 GLN 134 far 0 45 0 - 6.1-7.1 HG2 LYS 19 - HD22 ASN 13 far 0 100 0 - 6.2-20.1 HB2 LEU 42 - HE21 GLN 134 far 0 60 0 - 8.9-10.5 QB ALA 21 - HD22 ASN 13 far 0 76 0 - 9.0-17.2 HG3 LYS 95 - HD22 ASN 13 far 0 81 0 - 9.0-40.6 HG2 LYS 95 - HD22 ASN 13 far 0 76 0 - 9.8-42.2 HG3 LYS 31 - HD22 ASN 13 far 0 68 0 - 9.9-38.1 Violated in 0 structures by 0.00 A. Peak 10659 from nnoeabs.peaks (1.35, 8.37, 109.62 ppm; 4.64 A increased from 4.37 A): 1 out of 4 assignments used, quality = 0.64: QB ALA 15 + H GLY 14 OK 64 65 100 98 3.2-5.0 2.9/6113=74...(10) QB ALA 12 - H GLY 14 poor 20 100 20 - 2.4-6.1 HG2 LYS 19 - H GLY 14 far 0 98 0 - 7.4-15.8 QB ALA 21 - H GLY 14 far 0 93 0 - 9.0-13.8 Violated in 1 structures by 0.02 A. Peak 10666 from nnoeabs.peaks (2.12, 8.03, 122.31 ppm; 3.95 A): 0 out of 1 assignment used, quality = 0.00: HB2 GLU 97 - H ALA 16 far 0 92 0 - 8.9-41.4 Violated in 20 structures by 15.34 A. Peak 10667 from nnoeabs.peaks (0.93, 8.03, 122.31 ppm; 4.01 A increased from 3.78 A): 1 out of 4 assignments used, quality = 0.46: QG2 ILE 37 + H TYR 76 OK 46 47 100 98 3.6-4.1 10833/3.0=64...(13) QG1 VAL 20 - H ALA 16 far 4 73 5 - 4.1-8.2 QG1 VAL 105 - H ALA 16 far 0 63 0 - 8.9-37.3 QG1 VAL 20 - H TYR 76 far 0 29 0 - 9.2-25.6 Violated in 1 structures by 0.00 A. Peak 10683 from nnoeabs.peaks (1.36, 7.97, 113.82 ppm; 4.30 A increased from 3.82 A): 2 out of 5 assignments used, quality = 0.96: HG2 LYS 19 + H THR 18 OK 85 99 100 86 3.0-4.2 6151/6144=69...(7) QB ALA 21 + H THR 18 OK 71 90 100 78 3.0-4.9 10686/3.0=68...(3) QB ALA 15 - H THR 18 far 4 71 5 - 4.1-8.3 QB ALA 12 - H THR 18 far 0 100 0 - 6.7-16.2 HG2 LYS 24 - H THR 18 far 0 78 0 - 9.0-14.0 Violated in 0 structures by 0.00 A. Peak 10698 from nnoeabs.peaks (0.91, 8.35, 123.97 ppm; 4.36 A): 1 out of 5 assignments used, quality = 1.00: QG1 VAL 20 + H LYS 19 OK 100 100 100 100 3.6-4.0 6171/6157=79...(11) QG2 VAL 20 - H LYS 19 far 0 89 0 - 5.8-6.3 QD1 LEU 22 - H LYS 19 far 0 93 0 - 6.0-9.7 QG2 VAL 20 - H LYS 86 far 0 58 0 - 8.3-28.8 QG1 VAL 20 - H LYS 86 far 0 73 0 - 8.6-31.2 Violated in 0 structures by 0.00 A. Peak 10699 from nnoeabs.peaks (3.98, 8.35, 123.97 ppm; 4.31 A): 2 out of 3 assignments used, quality = 0.86: HA2 GLY 17 + H LYS 19 OK 74 90 100 82 3.4-4.5 3.6/6144=73...(4) HA3 GLY 17 + H LYS 19 OK 47 90 65 80 3.2-5.5 3.6/6144=73...(4) HA VAL 20 - H LYS 19 far 0 95 0 - 5.3-5.7 Violated in 0 structures by 0.00 A. Peak 10700 from nnoeabs.peaks (4.79, 8.35, 123.97 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.52: HA ASN 85 + H LYS 86 OK 52 52 100 100 3.4-3.5 3.6=100 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 3 assignments used, quality = 0.99: QG2 THR 18 + H VAL 20 OK 99 100 100 99 4.2-5.0 6147/6157=91...(7) QG2 THR 25 - H VAL 20 far 5 96 5 - 5.0-12.7 QG2 VAL 77 - H VAL 20 far 0 99 0 - 6.2-28.3 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 1 assignment used, quality = 0.98: HA VAL 20 + H LEU 22 OK 98 100 100 98 3.1-4.5 6176/6184=92...(6) Violated in 0 structures by 0.00 A. Peak 10726 from nnoeabs.peaks (1.34, 8.24, 121.99 ppm; 4.59 A): 1 out of 2 assignments used, quality = 0.79: QB ALA 21 + H ARG 23 OK 79 100 100 79 4.2-4.8 367/4.6=61...(5) HG2 LYS 19 - H ARG 23 far 0 71 0 - 6.6-8.4 Violated in 4 structures by 0.02 A. Peak 10733 from nnoeabs.peaks (0.92, 8.37, 122.93 ppm; 4.81 A): 1 out of 3 assignments used, quality = 0.66: QD1 LEU 22 + H LYS 24 OK 66 78 100 84 2.6-4.9 10714/6222=29...(8) QG2 VAL 20 - H LYS 24 poor 14 71 20 - 3.6-7.4 QG1 VAL 20 - H LYS 24 far 5 98 5 - 5.3-8.4 Violated in 2 structures by 0.00 A. Peak 10740 from nnoeabs.peaks (1.19, 8.37, 122.93 ppm; 5.29 A): 1 out of 2 assignments used, quality = 0.98: QG2 THR 25 + H LYS 24 OK 98 99 100 99 3.5-5.3 6242/6228=96...(5) QG2 THR 18 - H LYS 24 far 0 78 0 - 6.5-10.7 Violated in 0 structures by 0.00 A. Peak 10758 from nnoeabs.peaks (1.19, 8.39, 121.72 ppm; 5.03 A increased from 4.47 A): 2 out of 3 assignments used, quality = 0.96: QG2 THR 25 + H GLN 27 OK 90 100 100 90 3.7-4.8 6248/4.6=69...(7) HG12 ILE 32 + H GLN 27 OK 62 68 100 91 3.0-5.5 10772/4.6=40...(13) QG2 THR 18 - H GLN 27 far 0 89 0 - 7.2-17.0 Violated in 0 structures by 0.00 A. Peak 10769 from nnoeabs.peaks (1.83, 8.33, 125.44 ppm; 5.12 A increased from 4.55 A): 1 out of 5 assignments used, quality = 0.91: HB3 LYS 26 + H ALA 28 OK 91 92 100 99 2.4-5.6 1.8/10770=93...(10) HB ILE 32 - H ALA 28 far 5 90 5 - 5.7-7.6 HB3 LYS 31 - H ALA 28 far 0 78 0 - 6.5-8.8 HB3 LYS 24 - H ALA 28 far 0 83 0 - 7.4-12.9 HB3 ARG 23 - H ALA 28 far 0 97 0 - 8.0-15.4 Violated in 3 structures by 0.07 A. Peak 10770 from nnoeabs.peaks (1.76, 8.33, 125.44 ppm; 4.48 A): 1 out of 4 assignments used, quality = 0.21: HB2 LYS 26 + H ALA 28 OK 21 96 25 88 2.7-7.3 1.8/10769=62...(6) HB2 LYS 31 - H ALA 28 far 0 85 0 - 6.3-8.2 HB2 LYS 24 - H ALA 28 far 0 92 0 - 6.7-13.5 HB2 ARG 23 - H ALA 28 far 0 99 0 - 7.8-15.8 Violated in 15 structures by 1.22 A. Peak 10771 from nnoeabs.peaks (1.67, 8.33, 125.44 ppm; 6.42 A increased from 5.41 A): 2 out of 5 assignments used, quality = 1.00: HD2 LYS 26 + H ALA 28 OK 98 98 100 100 3.5-6.7 3.5/10770=94...(16) HD3 LYS 26 + H ALA 28 OK 92 97 95 100 3.9-7.1 3.5/10770=94...(16) HD2 LYS 31 - H ALA 28 far 0 99 0 - 8.4-11.5 HD3 LYS 31 - H ALA 28 far 0 98 0 - 8.9-11.4 HD3 LYS 24 - H ALA 28 far 0 98 0 - 9.3-15.3 Violated in 0 structures by 0.00 A. Peak 10772 from nnoeabs.peaks (1.19, 8.33, 125.44 ppm; 5.25 A): 1 out of 3 assignments used, quality = 0.67: HG12 ILE 32 + H ALA 28 OK 67 76 90 98 4.4-5.9 10725/4.9=31, ~10776=26...(23) QG2 THR 25 - H ALA 28 poor 14 100 25 57 5.3-6.9 10758/4.6=32...(5) QG2 THR 18 - H ALA 28 far 0 93 0 - 7.7-20.1 Violated in 4 structures by 0.09 A. Peak 10787 from nnoeabs.peaks (1.96, 8.25, 122.97 ppm; 4.41 A): 2 out of 4 assignments used, quality = 0.99: HB2 GLU 30 + H ALA 29 OK 98 100 100 98 4.4-4.9 10791/3.7=67...(18) HB2 GLU 30 + H LYS 31 OK 50 51 100 100 2.2-2.7 4.6=86, 6318/4.6=55...(14) HB2 GLN 27 - H ALA 29 far 15 98 15 - 4.9-7.6 HB2 GLN 27 - H LYS 31 far 5 47 10 - 4.4-8.7 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 3 assignments used, quality = 0.59: HB3 GLN 27 + H ALA 29 OK 59 99 65 92 4.0-6.0 10762/3.7=57...(10) HB3 GLN 27 - H LYS 31 far 7 49 15 - 3.0-8.1 QE MET 11 - H LYS 31 far 0 43 0 - 9.5-34.7 Violated in 11 structures by 0.47 A. Peak 10802 from nnoeabs.peaks (0.80, 8.23, 122.66 ppm; 4.75 A): 2 out of 3 assignments used, quality = 0.75: QD1 ILE 32 + H LYS 31 OK 64 73 95 91 4.6-5.6 2.1/6333=59, 927/4.7=34...(8) QD1 ILE 32 + H ALA 29 OK 31 31 100 100 1.9-3.8 11488/2.9=89...(26) QD1 ILE 37 - H LYS 31 far 0 78 0 - 9.8-10.8 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 3 assignments used, quality = 0.00: H ALA 28 - H ILE 32 far 0 71 0 - 5.2-6.9 H LYS 26 - H ILE 32 far 0 87 0 - 6.5-10.8 H LYS 24 - H ILE 32 far 0 89 0 - 7.1-16.4 Violated in 20 structures by 1.91 A. Peak 10819 from nnoeabs.peaks (4.23, 8.14, 122.30 ppm; 3.47 A): 1 out of 6 assignments used, quality = 0.97: HA ALA 29 + H ILE 32 OK 97 100 100 97 3.0-3.5 10734/6352=59...(13) HA GLU 30 - H ILE 32 poor 18 100 25 71 3.9-4.5 3.0/10829=34...(6) HA GLN 27 - H ILE 32 far 0 93 0 - 5.7-9.1 HA ALA 28 - H ILE 32 far 0 99 0 - 6.2-7.5 HB THR 25 - H ILE 32 far 0 63 0 - 8.2-14.2 HA ALA 34 - H ILE 32 far 0 100 0 - 8.7-9.1 Violated in 2 structures by 0.00 A. Peak 10829 from nnoeabs.peaks (1.94, 8.14, 122.30 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.81: HB2 GLU 30 + H ILE 32 OK 81 83 100 98 4.1-4.5 1.8/10830=74...(11) HB2 GLN 27 - H ILE 32 far 0 60 0 - 6.5-8.7 Violated in 0 structures by 0.00 A. Peak 10830 from nnoeabs.peaks (2.02, 8.14, 122.30 ppm; 4.94 A): 1 out of 2 assignments used, quality = 0.98: HB3 GLU 30 + H ILE 32 OK 98 100 100 98 4.2-5.2 1.8/10829=84...(8) HB VAL 20 - H ILE 32 far 0 85 0 - 9.9-20.2 Violated in 1 structures by 0.01 A. Peak 10855 from nnoeabs.peaks (1.67, 8.23, 119.56 ppm; 5.03 A increased from 4.47 A): 2 out of 6 assignments used, quality = 0.98: HD2 LYS 36 + H SER 33 OK 97 100 100 97 4.7-4.9 10775/3.0=42...(16) HD2 LYS 26 + H SER 33 OK 55 92 65 92 3.9-7.4 10763/6360=52...(11) HD3 LYS 26 - H SER 33 poor 19 89 25 88 4.7-7.7 10767/6363=54...(11) HD3 LYS 36 - H SER 33 far 0 100 0 - 6.0-6.3 HD3 LYS 31 - H SER 33 far 0 92 0 - 6.1-9.2 HD2 LYS 31 - H SER 33 far 0 93 0 - 6.3-9.1 Violated in 0 structures by 0.00 A. Peak 10867 from nnoeabs.peaks (7.98, 8.43, 125.99 ppm; 4.56 A): 2 out of 5 assignments used, quality = 0.96: H LYS 36 + H ALA 34 OK 88 92 100 96 3.8-3.9 10896/6369=55...(7) H ILE 37 + H ALA 34 OK 63 93 100 67 4.7-4.9 10869/3.0=42...(3) H THR 18 - H ALA 12 far 0 80 0 - 7.2-20.0 H SER 38 - H ALA 34 far 0 100 0 - 8.9-9.2 H SER 94 - H ALA 12 far 0 77 0 - 9.4-37.3 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 9 assignments used, quality = 1.00: HB ILE 32 + H ALA 34 OK 100 100 100 100 4.6-5.6 6361/6369=96...(12) HB2 LYS 36 + H ALA 34 OK 89 100 90 99 4.7-6.6 10774/3.6=80...(7) HB2 ARG 84 - H ALA 12 far 4 80 5 - 3.5-48.6 HB3 LYS 19 - H ALA 12 far 0 82 0 - 6.3-24.9 HB3 LYS 26 - H ALA 34 far 0 100 0 - 6.8-8.9 HB2 CYS 79 - H ALA 34 far 0 78 0 - 7.8-9.9 HB3 ARG 23 - H ALA 34 far 0 99 0 - 7.8-18.4 HB2 LYS 86 - H ALA 12 far 0 58 0 - 9.0-42.0 HB3 LYS 31 - H ALA 34 far 0 100 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 10884 from nnoeabs.peaks (1.82, 8.38, 118.19 ppm; 4.56 A increased from 4.29 A): 2 out of 9 assignments used, quality = 0.97: HB2 LYS 36 + H ASP 35 OK 88 100 90 98 4.3-5.8 6392/6385=87...(8) HB ILE 32 + H ASP 35 OK 77 100 95 81 4.1-5.3 2.1/11784=53...(5) HB3 LYS 26 - H ASP 35 far 0 100 0 - 6.5-9.6 HB2 CYS 79 - H ASP 35 far 0 87 0 - 6.6-9.0 HB3 LYS 24 - H ASP 35 far 0 99 0 - 7.8-16.9 HB3 LEU 122 - H THR 65 far 0 61 0 - 8.2-9.8 HB3 ARG 23 - H ASP 35 far 0 100 0 - 8.2-17.9 HB3 LEU 103 - H THR 65 far 0 58 0 - 8.3-8.8 HB2 LEU 100 - H THR 65 far 0 98 0 - 8.8-9.5 Violated in 0 structures by 0.00 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 3.0-3.8 2.9/10894=72...(14) Violated in 0 structures by 0.00 A. Peak 10891 from nnoeabs.peaks (0.94, 8.00, 120.91 ppm; 5.47 A increased from 4.86 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 37 + H LYS 36 OK 100 100 100 100 5.4-5.5 2.1/10894=86...(13) Violated in 3 structures by 0.00 A. Peak 10892 from nnoeabs.peaks (0.85, 8.00, 120.91 ppm; 4.93 A): 1 out of 1 assignment used, quality = 0.99: QG2 ILE 32 + H LYS 36 OK 99 100 100 99 3.2-4.0 6362/10896=71...(10) Violated in 0 structures by 0.00 A. Peak 10893 from nnoeabs.peaks (0.79, 8.00, 120.91 ppm; 5.35 A): 2 out of 2 assignments used, quality = 0.97: QD1 ILE 37 + H LYS 36 OK 93 93 100 100 3.6-4.3 2.1/10890=81...(18) QD1 ILE 32 + H LYS 36 OK 48 90 55 97 5.6-6.5 3.0/10892=76...(6) Violated in 0 structures by 0.00 A. Peak 10894 from nnoeabs.peaks (1.97, 8.00, 120.91 ppm; 5.03 A increased from 4.24 A): 1 out of 1 assignment used, quality = 1.00: HB ILE 37 + H LYS 36 OK 100 100 100 100 4.4-4.9 6413/4.4=78...(12) Violated in 0 structures by 0.00 A. Peak 10896 from nnoeabs.peaks (8.23, 8.00, 120.91 ppm; 4.52 A): 1 out of 3 assignments used, quality = 0.85: H SER 33 + H LYS 36 OK 85 100 100 85 4.2-4.7 6362/10892=54...(9) H ALA 29 - H LYS 36 far 0 81 0 - 8.6-10.7 H LYS 31 - H LYS 36 far 0 99 0 - 9.8-10.5 Violated in 2 structures by 0.01 A. Peak 10904 from nnoeabs.peaks (1.17, 7.97, 121.77 ppm; 5.27 A increased from 4.68 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 41 + H ILE 37 OK 100 100 100 100 5.0-5.3 10819/6414=88...(8) HG12 ILE 32 - H ILE 37 far 0 100 0 - 8.6-9.9 QG2 THR 25 - H ILE 37 far 0 83 0 - 9.2-14.7 Violated in 1 structures by 0.00 A. Peak 10926 from nnoeabs.peaks (1.40, 8.28, 116.30 ppm; 6.80 A): 6 out of 8 assignments used, quality = 1.00: HG LEU 96 + H SER 99 OK 89 89 100 100 5.1-6.1 10018/3.8=61...(19) HB2 LEU 42 + H GLU 40 OK 83 85 100 98 5.2-5.5 1147/3.6=79...(5) HB2 LEU 96 + H SER 99 OK 73 73 100 100 5.6-6.1 ~7388=65, 4.4/7350=46...(23) HB3 LEU 100 + H SER 99 OK 72 72 100 100 5.8-6.2 3.0/11880=92, ~7397=91...(23) HG3 LYS 95 + H SER 99 OK 70 81 100 86 5.7-7.2 3.9/2960=44...(9) HG2 LYS 95 + H SER 99 OK 59 84 90 79 6.2-7.7 3.9/2960=44, 1.8/3009=20...(7) HG2 LYS 36 - H GLU 40 far 0 89 0 - 9.0-9.7 QB ALA 15 - H SER 99 far 0 77 0 - 9.5-37.2 Violated in 0 structures by 0.00 A. Peak 10927 from nnoeabs.peaks (0.71, 8.28, 116.30 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.97: QD1 LEU 43 + H GLU 40 OK 97 97 100 100 3.2-5.3 9055/2.8=84, 9119/3.6=59...(26) QD2 LEU 100 - H SER 99 far 0 47 0 - 5.9-6.4 Violated in 1 structures by 0.01 A. Peak 10934 from nnoeabs.peaks (4.01, 7.89, 122.33 ppm; 4.77 A): 1 out of 3 assignments used, quality = 1.00: HB2 SER 38 + H ALA 41 OK 100 100 100 100 2.5-3.1 1.8/9033=80, 9043/3.0=71...(10) HA ILE 37 - H ALA 41 far 10 100 10 - 5.2-5.6 HD3 PRO 81 - H ALA 41 far 0 78 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 10940 from nnoeabs.peaks (2.06, 8.29, 119.18 ppm; 5.26 A increased from 4.95 A): 3 out of 5 assignments used, quality = 0.98: HB3 GLU 44 + H LEU 43 OK 75 78 100 95 4.9-5.6 4.7/6535=59, 1410/3.9=56...(7) HB3 LYS 39 + H LEU 43 OK 71 76 100 94 5.2-5.8 3.0/6494=62...(8) HB3 GLU 40 + H LEU 43 OK 71 83 95 90 5.6-5.9 3.0/6495=52, 4.6/6496=49...(6) HG3 GLN 134 - H LEU 43 far 0 68 0 - 6.8-8.7 HG3 PRO 81 - H LEU 43 far 0 100 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 10942 from nnoeabs.peaks (1.17, 8.29, 119.18 ppm; 4.64 A): 2 out of 3 assignments used, quality = 1.00: QB ALA 41 + H LEU 43 OK 99 100 100 100 4.6-4.9 1285/3.9=69, 9066/3.6=55...(14) HG3 LYS 39 + H LEU 43 OK 81 87 95 98 3.9-5.3 11901/6509=64...(15) QG2 VAL 77 - H LEU 43 far 0 99 0 - 9.9-10.5 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 6 assignments used, quality = 0.98: QD2 LEU 69 + H ALA 46 OK 98 98 100 100 2.6-3.2 2.1/9165=94, 11085=89...(21) QG1 VAL 118 - H HIS 5 far 0 70 0 - 6.7-45.4 QD2 LEU 123 - H HIS 5 far 0 91 0 - 7.6-51.1 QD2 LEU 70 - H ALA 46 far 0 78 0 - 8.3-8.8 QD1 LEU 98 - H HIS 5 far 0 80 0 - 9.3-44.2 QD2 LEU 98 - H HIS 5 far 0 93 0 - 9.4-46.7 Violated in 0 structures by 0.00 A. Peak 10963 from nnoeabs.peaks (0.81, 8.03, 125.41 ppm; 4.91 A increased from 4.62 A): 1 out of 5 assignments used, quality = 0.85: QD1 LEU 53 + H ALA 52 OK 85 85 100 100 3.6-5.0 6667/3.3=58, ~9240=58...(19) QD2 LEU 49 - H ALA 52 far 0 90 0 - 5.9-6.3 QD1 LEU 122 - H ALA 52 far 0 99 0 - 6.9-10.2 QD2 LEU 119 - H ALA 52 far 0 96 0 - 7.8-8.3 QD2 LEU 122 - H ALA 52 far 0 68 0 - 8.7-10.4 Violated in 1 structures by 0.00 A. Peak 10968 from nnoeabs.peaks (1.41, 8.01, 121.40 ppm; 5.06 A): 0 out of 2 assignments used, quality = 0.00: QB ALA 109 - H VAL 57 far 0 89 0 - 6.6-7.9 QB ALA 110 - H VAL 57 far 0 76 0 - 8.0-9.6 Violated in 20 structures by 1.93 A. Peak 10969 from nnoeabs.peaks (1.87, 8.01, 121.40 ppm; 4.84 A): 0 out of 1 assignment used, quality = 0.00: HB3 LEU 119 - H VAL 57 far 0 100 0 - 7.4-8.9 Violated in 20 structures by 3.38 A. Peak 10975 from nnoeabs.peaks (2.42, 8.66, 113.17 ppm; 4.56 A increased from 4.29 A): 1 out of 5 assignments used, quality = 0.98: HB3 PRO 58 + H SER 60 OK 98 99 100 100 4.2-4.4 2.3/10978=75...(11) HG3 GLN 61 - H SER 60 far 0 99 0 - 6.3-7.1 HG3 GLU 55 - H SER 50 far 0 66 0 - 8.6-11.5 HG3 GLN 61 - H SER 50 far 0 92 0 - 9.2-10.2 HG3 GLU 128 - H SER 50 far 0 94 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 10978 from nnoeabs.peaks (2.03, 8.66, 113.17 ppm; 4.39 A): 1 out of 9 assignments used, quality = 0.98: HG2 PRO 58 + H SER 60 OK 98 100 100 98 4.0-4.5 2.3/10975=67...(14) HB2 LEU 62 - H SER 60 far 0 68 0 - 5.3-6.8 HB VAL 63 - H SER 60 far 0 98 0 - 5.3-5.9 HB2 GLN 127 - H SER 50 far 0 59 0 - 5.4-7.3 HB ILE 129 - H SER 50 far 0 54 0 - 8.2-8.9 HB2 LEU 62 - H SER 50 far 0 59 0 - 8.3-9.8 HB VAL 118 - H SER 60 far 0 68 0 - 8.8-10.3 HB3 GLU 55 - H SER 50 far 0 88 0 - 9.0-11.0 HB2 GLU 44 - H SER 50 far 0 91 0 - 9.8-10.2 Violated in 2 structures by 0.01 A. Peak 10979 from nnoeabs.peaks (1.96, 8.66, 113.17 ppm; 4.28 A): 2 out of 3 assignments used, quality = 0.93: HB2 PRO 58 + H SER 60 OK 90 90 100 100 2.6-2.9 1.8/10975=70...(13) HG LEU 53 + H SER 50 OK 28 52 55 99 4.5-6.2 ~9218=41, ~9218=41...(23) HB3 LEU 53 - H SER 50 poor 13 52 25 - 4.4-7.0 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 1 assignment used, quality = 0.69: HB2 PRO 58 + H GLN 61 OK 69 73 100 94 2.7-2.9 1.8/9331=57...(10) 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 7 assignments used, quality = 1.00: QG2 VAL 63 + H GLN 61 OK 99 100 100 99 4.4-4.9 9379/2.8=72...(14) QD1 LEU 62 + H GLN 61 OK 98 99 100 99 5.3-5.9 2005/3.9=79...(8) QG2 VAL 112 - H GLN 61 far 0 89 0 - 7.7-8.7 QG1 VAL 118 - H GLN 61 far 0 99 0 - 8.4-9.8 QD2 LEU 48 - H GLN 61 far 0 100 0 - 8.9-11.2 QD1 LEU 48 - H GLN 61 far 0 89 0 - 9.4-10.5 QD1 LEU 49 - H GLN 61 far 0 99 0 - 9.5-10.2 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 1 assignment used, quality = 1.00: HG LEU 62 + H GLN 61 OK 100 100 100 100 4.7-5.1 6794/3.9=95...(9) Violated in 0 structures by 0.00 A. Peak 10984 from nnoeabs.peaks (3.93, 7.42, 122.18 ppm; 6.69 A): 2 out of 5 assignments used, quality = 0.97: HB2 SER 60 + H GLN 61 OK 83 83 100 100 2.5-4.0 4.6=100 HB3 SER 60 + H GLN 61 OK 83 83 100 100 2.5-4.1 4.6=100 HB2 SER 107 - H GLN 61 lone 3 99 50 6 4.9-8.6 11923/11712=3 HA2 GLY 111 - H GLN 61 lone 3 100 100 3 5.7-6.8 HA3 GLY 111 - H GLN 61 lone 1 89 45 3 6.5-8.3 Violated in 0 structures by 0.00 A. Peak 10993 from nnoeabs.peaks (0.80, 7.43, 120.60 ppm; 5.11 A increased from 4.54 A): 2 out of 7 assignments used, quality = 0.95: QD2 LEU 119 + H LEU 62 OK 89 100 100 89 4.3-5.0 10992/6794=66...(6) QD1 LEU 103 + H LEU 62 OK 54 83 75 87 4.8-6.1 ~11841=52, 9395/3.9=30...(7) QD1 LEU 122 - H LEU 62 far 10 100 10 - 5.5-9.2 QD1 LEU 53 - H LEU 62 far 5 99 5 - 5.2-7.6 QG1 VAL 63 - H LEU 62 far 0 85 0 - 5.8-6.0 QD2 LEU 49 - H LEU 62 far 0 100 0 - 6.1-6.5 QD2 LEU 122 - H LEU 62 far 0 92 0 - 6.2-9.3 Violated in 0 structures by 0.00 A. Peak 11022 from nnoeabs.peaks (3.95, 7.96, 120.19 ppm; 3.46 A): 0 out of 4 assignments used, quality = 0.00: HA THR 65 - H ASP 64 far 0 83 0 - 5.4-5.5 HB2 SER 107 - H ASP 64 far 0 63 0 - 6.8-9.5 HB3 SER 107 - H ASP 64 far 0 97 0 - 7.1-9.6 HA LEU 100 - H ASP 64 far 0 97 0 - 7.4-8.3 Violated in 20 structures by 1.76 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 3.8-4.4 2.1/9384=98, 10045=95...(16) QD1 ILE 129 - H GLY 66 far 0 60 0 - 8.7-9.6 QD1 LEU 42 - H GLY 66 far 0 78 0 - 9.9-10.5 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 2.9-3.3 2.1/9461=80...(17) QD1 LEU 42 - H HIS 67 far 0 73 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 11043 from nnoeabs.peaks (8.11, 6.86, 112.26 ppm; 6.80 A): 1 out of 4 assignments used, quality = 0.50: H ASN 121 + HD21 ASN 121 OK 50 50 100 100 3.3-4.2 5.6=100 H THR 25 - HE21 GLN 27 poor 16 64 25 - 3.6-11.1 H ASP 71 - HE21 GLN 68 poor 15 76 20 - 7.3-8.9 H ILE 32 - HE21 GLN 27 lone 1 41 50 3 3.5-10.6 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 1 assignment used, quality = 0.00: H ASP 71 - HE22 GLN 68 far 5 98 5 - 7.4-9.2 Violated in 20 structures by 2.04 A. Peak 11056 from nnoeabs.peaks (0.78, 8.30, 120.25 ppm; 4.88 A increased from 4.34 A): 2 out of 8 assignments used, quality = 0.99: QD1 LEU 96 + H LEU 69 OK 96 99 100 97 4.2-4.6 11710/2.9=58, ~11811=48...(14) QD2 LEU 49 + H LEU 69 OK 88 89 100 99 4.4-4.8 9431/11068=45...(18) QD1 LEU 122 - H LEU 69 far 0 65 0 - 5.5-7.7 QD2 LEU 122 - H LEU 69 far 0 99 0 - 6.9-8.4 QG1 VAL 63 - H LEU 69 far 0 100 0 - 7.2-7.5 QD1 ILE 37 - H LEU 69 far 0 100 0 - 7.8-8.9 QD1 LEU 53 - H LEU 69 far 0 93 0 - 7.8-9.2 QD2 LEU 43 - H LEU 69 far 0 71 0 - 9.4-10.3 Violated in 0 structures by 0.00 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 4.1-4.3 11016/6922=74...(15) 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 3.6-4.1 11115/2268=67...(14) QD1 LEU 42 - H LEU 70 far 0 71 0 - 5.6-6.2 Violated in 0 structures by 0.00 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 far 0 60 0 - 5.3-5.9 Violated in 20 structures by 1.29 A. Peak 11100 from nnoeabs.peaks (8.65, 8.46, 121.15 ppm; 5.07 A increased from 4.77 A): 1 out of 1 assignment used, quality = 0.98: H HIS 67 + H LEU 70 OK 98 98 100 100 4.9-5.0 2.9/6936=81...(20) Violated in 0 structures by 0.00 A. Peak 11121 from nnoeabs.peaks (0.84, 8.85, 116.83 ppm; 4.86 A): 3 out of 6 assignments used, quality = 0.99: QD2 LEU 70 + H CYS 73 OK 96 97 100 100 4.4-4.8 2269/6989=65...(12) QD1 LEU 70 + H CYS 73 OK 63 65 100 95 4.7-5.4 3.8/6989=60, 9490/3.8=33...(10) QG2 ILE 129 + H CYS 73 OK 59 73 90 90 4.8-5.6 9083/9565=52...(10) QD2 LEU 69 - H CYS 73 far 11 73 15 - 5.4-5.8 QG1 VAL 133 - H CYS 73 far 0 98 0 - 8.2-8.9 HG13 ILE 80 - H CYS 73 far 0 78 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 11123 from nnoeabs.peaks (0.84, 8.41, 115.94 ppm; 4.64 A): 2 out of 8 assignments used, quality = 0.96: QD2 LEU 70 + H SER 74 OK 88 92 100 96 4.4-5.1 11094/4.4=47...(8) QD1 LEU 70 + H SER 74 OK 66 76 100 87 3.6-4.7 9490/4.4=33, 3.8/7003=32...(9) QG2 ILE 129 - H SER 74 far 0 83 0 - 5.7-6.4 QD2 LEU 69 - H SER 74 far 0 63 0 - 7.4-8.0 HG13 ILE 80 - H SER 74 far 0 87 0 - 9.0-10.1 QG1 VAL 133 - H SER 74 far 0 100 0 - 9.4-10.2 QG2 ILE 32 - H SER 74 far 0 95 0 - 9.8-11.7 QG2 ILE 80 - H SER 74 far 0 63 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 11135 from nnoeabs.peaks (0.93, 8.04, 121.95 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: QG2 ILE 37 + H TYR 76 OK 100 100 100 100 3.6-4.1 10833/3.0=100...(13) QG1 VAL 20 - H ALA 16 poor 17 28 60 - 4.1-8.2 QG1 VAL 105 - H ALA 16 far 0 25 0 - 8.9-37.3 QG1 VAL 20 - H TYR 76 far 0 71 0 - 9.2-25.6 Violated in 0 structures by 0.00 A. Peak 11139 from nnoeabs.peaks (7.32, 8.04, 121.95 ppm; 4.75 A): 1 out of 4 assignments used, quality = 0.90: HZ PHE 89 + H TYR 76 OK 90 90 100 99 4.3-5.0 2.2/11140=73...(8) QD PHE 87 - H ALA 16 far 0 47 0 - 6.3-40.0 HE ARG 90 - H ALA 16 far 0 23 0 - 7.0-38.0 HE ARG 90 - H TYR 76 far 0 60 0 - 7.4-9.6 Violated in 2 structures by 0.01 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 3.6-4.6 2.2/11139=76...(13) QE PHE 89 - H ALA 16 far 0 28 0 - 9.7-37.5 Violated in 0 structures by 0.00 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 = 0.90: H GLY 75 + H VAL 77 OK 90 96 100 94 3.6-4.0 9583=59, 9593/2394=40...(7) H ALA 92 - H VAL 77 far 0 87 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 11162 from nnoeabs.peaks (4.32, 8.04, 116.97 ppm; 4.86 A): 1 out of 7 assignments used, quality = 0.98: HA TYR 76 + H CYS 79 OK 98 99 100 98 3.4-3.5 2361=48, 11911/7065=42...(11) HA2 GLY 75 - H CYS 79 far 0 100 0 - 5.5-5.8 HA ALA 21 - H CYS 79 far 0 63 0 - 5.9-27.3 HA SER 74 - H CYS 79 far 0 65 0 - 6.7-7.5 HA PRO 81 - H CYS 79 far 0 85 0 - 7.1-7.5 HA LYS 24 - H CYS 79 far 0 89 0 - 7.2-22.3 HA THR 25 - H CYS 79 far 0 65 0 - 9.9-18.5 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 2.7-2.9 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 2 assignments used, quality = 0.88: H PHE 87 + H ARG 84 OK 88 89 100 100 5.2-5.5 2530/2.8=85, 7150/3.6=67...(6) H ALA 15 - H ARG 84 far 0 96 0 - 7.0-43.9 Violated in 0 structures by 0.00 A. Peak 11198 from nnoeabs.peaks (2.08, 9.00, 120.08 ppm; 5.31 A increased from 5.00 A): 1 out of 2 assignments used, quality = 0.89: HB3 GLN 82 + H ARG 84 OK 89 89 100 100 4.3-5.4 1.8/9778=96, 3.0/9779=70...(8) HG3 PRO 81 - H ARG 84 far 0 72 0 - 7.1-10.2 Violated in 2 structures by 0.01 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 0 assignments used, quality = 0.00: 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 2.7-2.9 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 1 assignment used, quality = 1.00: HA GLN 82 + H THR 83 OK 100 100 100 100 2.1-2.2 3.6=100 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 2.6-2.9 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 0 89 0 - 9.0-10.1 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 3.1-5.4 1.8/11223=57...(7) HG3 GLN 82 + H THR 83 OK 93 95 100 98 3.3-4.9 11243/3.6=54, 11223=52...(7) 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 far 0 65 0 - 6.5-7.7 Violated in 0 structures by 0.00 A. Peak 11246 from nnoeabs.peaks (2.24, 7.64, 112.44 ppm; 5.12 A increased from 4.81 A): 1 out of 1 assignment used, quality = 0.94: HB2 PRO 81 + HE22 GLN 82 OK 94 95 100 100 4.1-5.2 1.8/11248=87...(8) Violated in 2 structures by 0.01 A. Peak 11247 from nnoeabs.peaks (2.05, 7.64, 112.44 ppm; 4.66 A): 1 out of 4 assignments used, quality = 0.99: HG3 PRO 81 + HE22 GLN 82 OK 99 100 100 99 3.0-4.6 2.3/11248=69...(9) HG3 ARG 135 - HE22 GLN 82 far 0 83 0 - 5.5-7.4 HB3 LYS 39 - HE22 GLN 82 far 0 68 0 - 8.5-11.3 HG3 GLN 134 - HE22 GLN 82 far 0 60 0 - 8.6-12.0 Violated in 0 structures by 0.00 A. Peak 11248 from nnoeabs.peaks (1.95, 7.64, 112.44 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.97: HB3 PRO 81 + HE22 GLN 82 OK 97 97 100 99 2.4-3.6 2.3/11247=76...(10) HB3 LYS 86 - HE22 GLN 82 far 0 100 0 - 8.1-10.0 Violated in 0 structures by 0.00 A. Peak 11249 from nnoeabs.peaks (2.23, 6.94, 112.44 ppm; 5.18 A): 2 out of 2 assignments used, quality = 0.76: HB2 GLN 82 + HE21 GLN 82 OK 68 68 100 100 3.2-4.7 4.5=100 HB2 PRO 81 + HE21 GLN 82 OK 26 65 40 100 3.7-6.2 2.3/11250=72...(9) Violated in 0 structures by 0.00 A. Peak 11250 from nnoeabs.peaks (2.04, 6.94, 112.44 ppm; 5.36 A increased from 5.04 A): 1 out of 4 assignments used, quality = 0.99: HG3 PRO 81 + HE21 GLN 82 OK 99 99 100 100 3.0-5.3 11247/1.7=92, ~11248=66...(10) HG3 ARG 135 - HE21 GLN 82 poor 19 95 20 - 4.3-7.9 HB2 GLN 134 - HE21 GLN 82 far 0 71 0 - 8.0-11.0 QE MET 11 - HE21 GLN 82 far 0 100 0 - 9.9-44.4 Violated in 0 structures by 0.00 A. Peak 11251 from nnoeabs.peaks (1.97, 6.94, 112.44 ppm; 5.20 A): 2 out of 3 assignments used, quality = 0.85: HB3 PRO 81 + HE21 GLN 82 OK 65 65 100 100 2.0-4.6 2.3/11250=72...(9) HG2 PRO 81 + HE21 GLN 82 OK 55 65 85 100 2.1-6.4 1.8/11250=77, ~11247=71...(9) HB3 LYS 86 - HE21 GLN 82 far 0 89 0 - 8.1-11.2 Violated in 0 structures by 0.00 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 = 1.00: HD21 ASN 85 + H GLN 82 OK 99 99 100 100 3.9-6.6 9798/4.0=94, 9797/4.0=91...(5) H ASN 85 + H GLN 82 OK 50 60 100 84 4.3-5.0 9787/9742=39...(5) HE ARG 84 - H GLN 82 far 0 95 0 - 7.8-10.3 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 1 assignment used, quality = 0.99: * HA GLN 82 + H GLN 82 OK 99 99 100 100 2.8-2.9 3.0=100 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 0 99 0 - 7.7-10.4 Violated in 0 structures by 0.00 A. Peak 11257 from nnoeabs.peaks (2.44, 7.56, 115.93 ppm; 4.34 A increased from 4.08 A): 2 out of 2 assignments used, quality = 0.95: HG3 GLN 82 + H GLN 82 OK 85 99 90 96 1.8-5.2 5.1=61, 11210/3.0=45...(9) HG2 GLN 82 + H GLN 82 OK 68 100 70 98 3.3-5.1 5.1=61, 1.8/11227=42...(11) 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 3.3-4.7 4.1=100 HB VAL 132 - H GLN 82 far 0 71 0 - 8.0-9.0 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 4 assignments used, quality = 0.93: * HG3 PRO 81 + H GLN 82 OK 83 97 90 95 1.8-5.5 11265=50, 1.8/11886=49...(7) HB3 GLN 82 + H GLN 82 OK 60 60 100 100 2.1-3.4 4.0=100 HG3 ARG 135 - H GLN 82 far 0 57 0 - 6.2-8.2 HB3 LYS 39 - H GLN 82 far 0 90 0 - 8.8-11.3 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 2 assignments used, quality = 1.00: * HB3 PRO 81 + H GLN 82 OK 100 100 100 100 1.9-4.3 4.1=100 HB3 LYS 86 + H GLN 82 OK 40 98 45 90 5.0-7.2 11240/9742=83...(3) Violated in 0 structures by 0.00 A. Peak 11261 from nnoeabs.peaks (0.82, 7.56, 115.93 ppm; 4.23 A): 1 out of 5 assignments used, quality = 0.95: QG2 ILE 80 + H GLN 82 OK 95 96 100 100 1.8-3.1 9742=93, 11263/4.0=48...(16) HG13 ILE 80 - H GLN 82 far 15 100 15 - 4.5-6.3 QG1 VAL 133 - H GLN 82 far 0 97 0 - 5.5-7.6 QG2 ILE 129 - H GLN 82 far 0 100 0 - 9.2-10.4 QD2 LEU 22 - H GLN 82 far 0 90 0 - 9.5-26.2 Violated in 0 structures by 0.00 A. Peak 11276 from nnoeabs.peaks (2.09, 7.27, 117.40 ppm; 5.31 A): 1 out of 2 assignments used, quality = 1.00: HB3 GLN 82 + H ASN 85 OK 100 100 100 100 3.8-4.7 11234=93, 1.8/11277=81...(11) HG3 GLU 91 - H ASN 85 far 0 81 0 - 9.3-11.5 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 3 assignments used, quality = 1.00: HB2 GLN 82 + H ASN 85 OK 100 100 100 100 2.3-3.1 1.8/11234=90...(15) HG2 GLU 91 - H ASN 85 far 0 76 0 - 9.2-10.2 HB VAL 133 - H ASN 85 far 0 93 0 - 9.4-10.2 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 = 0.98: HB2 ARG 135 + HD21 ASN 85 OK 97 100 100 97 2.9-4.7 2.9/9800=57...(8) HB3 ARG 84 + HD21 ASN 85 OK 28 100 35 81 4.0-7.0 1.8/9799=30...(12) HB2 MET 11 - HD21 ASN 85 far 0 85 0 - 9.8-49.6 Violated in 0 structures by 0.00 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 3.2-5.6 4.0/7219=88, 4.0/7220=84...(19) Violated in 1 structures by 0.00 A. Peak 11310 from nnoeabs.peaks (3.26, 8.13, 119.27 ppm; 5.72 A increased from 5.38 A): 1 out of 4 assignments used, quality = 0.59: HB3 PHE 87 + H GLU 91 OK 59 63 100 94 5.1-5.5 3.0/7226=75, 2.5/9919=52...(6) HA VAL 93 - H GLU 91 far 0 97 0 - 6.7-7.0 HB3 HIS 10 - H GLU 91 far 0 99 0 - 7.1-42.7 HD3 ARG 135 - H GLU 91 far 0 63 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 11314 from nnoeabs.peaks (8.67, 7.82, 123.43 ppm; 5.46 A): 1 out of 3 assignments used, quality = 0.97: H PHE 89 + H ALA 92 OK 97 97 100 100 4.7-5.0 2.9/7247=91, 3.6/7246=76...(13) H HIS 7 - H ALA 92 far 0 85 0 - 9.5-54.9 H HIS 8 - H ALA 92 far 0 87 0 - 9.9-51.3 Violated in 0 structures by 0.00 A. Peak 11342 from nnoeabs.peaks (1.84, 7.71, 121.43 ppm; 5.12 A increased from 4.81 A): 1 out of 2 assignments used, quality = 0.97: HB VAL 93 + H LYS 95 OK 97 97 100 100 4.7-4.9 7281/3.4=82, 2.1/9980=67...(26) HB2 LEU 100 - H LYS 95 far 0 90 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 11355 from nnoeabs.peaks (0.85, 8.27, 124.81 ppm; 4.71 A increased from 4.43 A): 2 out of 4 assignments used, quality = 1.00: QD2 LEU 70 + H LEU 96 OK 100 100 100 100 4.4-4.7 11083=89, 11106/3083=61...(18) QD2 LEU 98 + H LEU 96 OK 38 81 50 95 4.8-5.8 11440/3.6=72...(8) QD1 LEU 98 - H LEU 96 far 0 99 0 - 6.6-7.1 QD2 LEU 69 - H LEU 96 far 0 93 0 - 8.6-8.9 Violated in 0 structures by 0.00 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 far 0 99 0 - 7.9-8.3 H ALA 92 - H GLU 97 far 0 71 0 - 8.0-8.3 Violated in 20 structures by 2.16 A. Peak 11367 from nnoeabs.peaks (0.84, 8.50, 119.00 ppm; 3.88 A): 2 out of 5 assignments used, quality = 0.99: QD2 LEU 70 + H GLU 97 OK 96 97 100 100 2.7-3.5 11090/2.8=65...(22) QD1 LEU 70 + H GLU 97 OK 63 65 100 97 3.7-4.0 10000/2.8=45, ~11090=39...(16) QD1 LEU 98 - H GLU 97 far 0 89 0 - 5.2-6.0 QG2 ILE 129 - H GLU 97 far 0 73 0 - 7.0-7.8 QD2 LEU 69 - H GLU 97 far 0 73 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 11382 from nnoeabs.peaks (0.80, 8.29, 116.35 ppm; 4.47 A): 2 out of 13 assignments used, quality = 0.97: QD2 LEU 122 + H SER 99 OK 95 97 100 98 3.1-5.0 11481/2.9=60...(22) QD1 LEU 122 + H SER 99 OK 43 98 45 98 3.1-6.3 11702/3.7=52, ~11481=41...(21) QD1 LEU 96 - H SER 99 poor 20 68 35 83 4.9-5.6 4.0/7372=25, 2.1/3083=17...(14) QD1 LEU 70 - H SER 99 far 0 81 0 - 6.4-7.1 QD1 LEU 103 - H SER 99 far 0 90 0 - 7.0-8.6 QD2 LEU 49 - H SER 99 far 0 100 0 - 7.4-7.7 QG1 VAL 63 - H SER 99 far 0 92 0 - 7.8-8.7 QD1 ILE 37 - H GLU 40 far 0 70 0 - 8.1-8.6 QD1 LEU 53 - H SER 99 far 0 100 0 - 8.6-10.0 HG13 ILE 80 - H GLU 40 far 0 54 0 - 9.1-9.9 QG2 ILE 129 - H GLU 40 far 0 59 0 - 9.4-10.2 QD2 LEU 119 - H SER 99 far 0 100 0 - 9.5-10.5 QG2 ILE 80 - H GLU 40 far 0 75 0 - 9.7-10.8 Violated in 1 structures by 0.00 A. Peak 11383 from nnoeabs.peaks (1.38, 8.29, 116.35 ppm; 5.46 A): 5 out of 8 assignments used, quality = 1.00: HG LEU 96 + H SER 99 OK 84 95 90 98 5.1-6.1 10018/7375=44...(19) HB2 LEU 42 + H GLU 40 OK 82 87 100 94 5.2-5.5 1147/3.6=70...(5) HB2 LEU 96 + H SER 99 OK 69 100 70 99 5.6-6.1 ~7388=43, 3.0/7372=39...(21) HB3 LEU 100 + H SER 99 OK 60 100 60 100 5.8-6.2 7398/3.4=89, ~7397=68...(23) HG3 LYS 95 + H SER 99 OK 43 100 60 72 5.7-7.2 3.9/2960=29...(9) HG2 LYS 95 - H SER 99 far 0 100 0 - 6.2-7.7 HG2 LYS 36 - H GLU 40 far 0 88 0 - 9.0-9.7 QB ALA 15 - H SER 99 far 0 100 0 - 9.5-37.2 Violated in 0 structures by 0.00 A. Peak 11397 from nnoeabs.peaks (0.89, 7.68, 119.11 ppm; 5.65 A increased from 4.52 A): 5 out of 7 assignments used, quality = 0.99: QG1 VAL 118 + H GLN 101 OK 91 93 100 98 4.8-5.7 10067/3.1=83...(8) QD1 LEU 98 + H GLN 101 OK 76 76 100 100 5.0-5.8 4.0/3155=76...(15) QD2 LEU 98 + H GLN 101 OK 38 98 40 97 4.8-7.1 4.0/3155=76...(12) QG2 VAL 63 + H GLN 101 OK 34 71 55 87 5.9-6.6 10971/4.6=36, ~11401=34...(8) QD2 LEU 70 + H GLN 101 OK 34 60 90 63 5.4-6.3 11115/7415=36...(6) QD1 LEU 49 - H GLN 101 far 0 65 0 - 9.4-10.5 QD1 LEU 62 - H GLN 101 far 0 63 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 11398 from nnoeabs.peaks (0.78, 7.68, 119.11 ppm; 5.29 A increased from 4.45 A): 3 out of 8 assignments used, quality = 1.00: QG1 VAL 63 + H GLN 101 OK 99 100 100 99 5.0-5.9 10974/3264=74...(12) QD2 LEU 122 + H GLN 101 OK 99 100 100 99 4.6-5.2 11481/7408=56, ~10026=31...(21) QD1 LEU 122 + H GLN 101 OK 66 73 95 94 4.6-7.3 10026/3.1=30, ~10026=30...(19) QD1 LEU 96 - H GLN 101 far 14 97 15 - 5.8-6.4 QD1 LEU 103 - H GLN 101 far 0 100 0 - 7.0-7.4 QD2 LEU 49 - H GLN 101 far 0 93 0 - 7.8-8.4 QD2 LEU 119 - H GLN 101 far 0 87 0 - 9.4-10.8 QD1 LEU 53 - H GLN 101 far 0 97 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 11410 from nnoeabs.peaks (1.80, 7.85, 118.36 ppm; 4.75 A increased from 4.47 A): 3 out of 5 assignments used, quality = 1.00: HB3 LEU 103 + H GLU 102 OK 100 100 100 100 4.2-4.6 7474/3.0=84...(21) HB2 LEU 100 + H GLU 102 OK 68 68 100 100 4.6-4.9 3.0/7445=70, ~7412=51...(20) HB3 LEU 98 + H GLU 102 OK 28 97 30 95 5.2-6.6 10051/7451=48, ~3155=35...(11) HG LEU 100 - H GLU 102 far 0 85 0 - 5.9-6.3 HB3 LEU 122 - H GLU 102 far 0 100 0 - 6.6-9.9 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 2 assignments used, quality = 1.00: QG2 VAL 118 + H LEU 103 OK 100 100 100 100 3.4-4.3 10279=98, 10263/7473=69...(16) QG2 VAL 105 + H LEU 103 OK 99 99 100 100 3.2-3.6 10086/3.6=80...(13) 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 4.4-4.9 4.1/7463=76...(9) QD2 LEU 62 - H LEU 103 far 0 68 0 - 9.1-9.8 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 0 assignments used, quality = 0.00: 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): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 63 + H GLN 104 OK 100 100 100 100 2.1-2.9 11811=99, 11440/7495=89...(21) QG1 VAL 118 + H GLN 104 OK 96 97 100 100 4.3-4.8 11836/3.6=92...(10) QD1 LEU 62 - H GLN 104 far 0 100 0 - 7.3-7.8 QD1 LEU 49 - H GLN 104 far 0 100 0 - 9.6-11.1 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 3 assignments used, quality = 1.00: H ALA 108 + H SER 106 OK 97 97 100 100 4.3-5.2 7554/7543=73...(11) H LEU 103 + H SER 106 OK 97 98 100 98 4.2-4.6 3.6/11781=73, 7478=42...(11) H ALA 109 - H SER 106 far 0 99 0 - 6.2-8.0 Violated in 0 structures by 0.00 A. Peak 11469 from nnoeabs.peaks (0.78, 7.90, 116.86 ppm; 5.34 A): 1 out of 5 assignments used, quality = 0.88: QD1 LEU 103 + H SER 106 OK 88 100 100 88 4.5-5.3 10096/4.0=42...(9) QG1 VAL 63 - H SER 106 far 0 100 0 - 6.4-7.3 QD2 LEU 122 - H SER 106 far 0 100 0 - 7.3-9.1 QD2 LEU 119 - H SER 106 far 0 87 0 - 7.7-9.3 QD1 LEU 122 - H SER 106 far 0 73 0 - 7.9-10.4 Violated in 0 structures by 0.00 A. Peak 11474 from nnoeabs.peaks (4.43, 8.08, 124.88 ppm; 5.71 A): 1 out of 3 assignments used, quality = 0.68: HA SER 106 + H ALA 108 OK 68 68 100 100 3.0-5.0 3.6/7552=93...(8) HA PRO 58 - H ALA 108 far 0 78 0 - 8.3-9.2 HA HIS 5 - H ALA 108 far 0 78 0 - 9.2-57.3 Violated in 0 structures by 0.00 A. Peak 11476 from nnoeabs.peaks (0.98, 8.23, 117.55 ppm; 4.97 A): 3 out of 5 assignments used, quality = 0.97: QG2 VAL 105 + H SER 107 OK 86 87 100 99 3.7-3.9 11533/3.6=74...(8) QG1 VAL 105 + H SER 107 OK 57 68 90 93 5.0-5.6 4.4/7543=70, 11448=38...(8) QG2 VAL 118 + H SER 107 OK 52 73 80 89 3.8-6.3 10105/4.5=65...(9) QG1 VAL 112 - H SER 107 far 0 87 0 - 8.7-10.4 QD2 LEU 53 - H SER 107 far 0 85 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 11477 from nnoeabs.peaks (3.92, 8.30, 123.19 ppm; 5.36 A increased from 4.76 A): 3 out of 6 assignments used, quality = 0.99: HA2 GLY 111 + H ALA 110 OK 95 97 100 99 4.8-5.7 10661/11478=52...(18) HA3 GLY 111 + H ALA 110 OK 67 71 100 94 5.2-5.4 ~7577=40, 7579/4.5=29...(17) HB2 SER 107 + H ALA 110 OK 23 100 50 47 3.8-8.5 10677/3.7=34, 3508/4.7=17 HB2 SER 60 - H ALA 110 poor 19 96 20 - 5.3-9.1 HB3 SER 60 - H ALA 110 far 14 96 15 - 5.1-8.8 HD3 PRO 113 - H ALA 110 far 0 89 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 11478 from nnoeabs.peaks (0.93, 8.30, 123.19 ppm; 5.94 A): 1 out of 6 assignments used, quality = 1.00: QG2 VAL 112 + H ALA 110 OK 100 100 100 100 3.2-4.4 11548/3.7=98...(9) QG2 VAL 63 - H ALA 110 far 9 90 10 - 6.1-9.4 QD1 LEU 119 - H ALA 110 far 0 92 0 - 6.7-8.8 QD1 LEU 62 - H ALA 110 far 0 95 0 - 7.2-9.9 QG1 VAL 118 - H ALA 110 far 0 65 0 - 8.6-11.9 QG1 VAL 57 - H ALA 110 far 0 78 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. Peak 11482 from nnoeabs.peaks (6.59, 8.08, 124.88 ppm; 5.18 A increased from 4.88 A): 1 out of 1 assignment used, quality = 0.97: HD21 ASN 59 + H ALA 108 OK 97 100 100 97 2.9-5.0 11475/3.6=63...(10) Violated in 0 structures by 0.00 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: QG2 THR 115 - H ALA 108 far 5 100 5 - 6.2-8.0 HB3 LEU 62 - H ALA 108 far 0 99 0 - 8.8-11.3 Violated in 20 structures by 1.19 A. Peak 11484 from nnoeabs.peaks (0.92, 8.08, 124.88 ppm; 6.23 A increased from 5.25 A): 1 out of 5 assignments used, quality = 0.87: QG2 VAL 63 + H ALA 108 OK 87 99 100 88 5.1-6.2 9342/11482=54...(6) QG2 VAL 112 - H ALA 108 poor 20 100 20 - 6.7-7.3 QG1 VAL 118 - H ALA 108 far 13 85 15 - 6.5-8.4 QD1 LEU 119 - H ALA 108 far 0 76 0 - 7.2-8.3 QD1 LEU 62 - H ALA 108 far 0 100 0 - 7.9-9.2 Violated in 1 structures by 0.00 A. Peak 11485 from nnoeabs.peaks (0.97, 8.08, 124.88 ppm; 5.84 A increased from 5.49 A): 2 out of 4 assignments used, quality = 0.81: QG2 VAL 105 + H ALA 108 OK 63 63 100 100 5.2-5.9 3.2/11454=74...(10) QG1 VAL 105 + H ALA 108 OK 50 90 55 100 5.8-6.6 3.2/11454=74...(9) QG1 VAL 112 - H ALA 108 far 0 99 0 - 8.2-9.5 QD2 LEU 53 - H ALA 108 far 0 98 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 11486 from nnoeabs.peaks (0.79, 8.08, 124.88 ppm; 5.35 A increased from 4.76 A): 1 out of 5 assignments used, quality = 0.96: QD1 LEU 103 + H ALA 108 OK 96 99 100 97 4.3-5.3 10106/7557=61...(11) QD2 LEU 119 - H ALA 108 far 0 95 0 - 6.8-7.8 QG1 VAL 63 - H ALA 108 far 0 100 0 - 6.8-8.0 QD1 LEU 122 - H ALA 108 far 0 85 0 - 8.7-11.8 QD2 LEU 122 - H ALA 108 far 0 100 0 - 8.9-11.8 Violated in 0 structures by 0.00 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 3.9-5.3 11553/3556=96...(10) HB3 LEU 62 - H VAL 112 far 0 97 0 - 7.2-11.0 Violated in 3 structures by 0.04 A. Peak 11513 from nnoeabs.peaks (8.45, 8.57, 108.97 ppm; 4.06 A): 0 out of 1 assignment used, quality = 0.00: H ASN 116 - H GLY 114 far 0 100 0 - 4.9-5.2 Violated in 20 structures by 0.99 A. Peak 11514 from nnoeabs.peaks (8.56, 8.45, 123.09 ppm; 5.38 A increased from 4.79 A): 1 out of 1 assignment used, quality = 0.99: H GLY 114 + H ASN 116 OK 99 99 100 100 4.9-5.2 7600/7608=97...(5) Violated in 0 structures by 0.00 A. Peak 11518 from nnoeabs.peaks (0.98, 8.57, 108.97 ppm; 5.04 A increased from 4.24 A): 1 out of 3 assignments used, quality = 0.93: QG1 VAL 112 + H GLY 114 OK 93 93 100 100 4.7-5.0 11492=87, 11507/7591=76...(11) QD2 LEU 53 - H GLY 114 lone 3 92 25 13 5.0-7.2 1683/10161=10, 9254/2.9=2 QG2 VAL 118 - H GLY 114 far 0 63 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 11524 from nnoeabs.peaks (1.87, 8.45, 123.09 ppm; 6.09 A): 1 out of 2 assignments used, quality = 1.00: HB3 LEU 119 + H ASN 116 OK 100 100 100 100 4.2-4.6 3.0/11559=88...(11) HB3 LEU 123 - H ASN 116 far 0 100 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 11562 from nnoeabs.peaks (4.36, 8.08, 117.66 ppm; 4.22 A): 1 out of 4 assignments used, quality = 0.97: HA PRO 117 + H ASN 120 OK 97 100 100 97 3.5-3.7 11561/3.8=60...(8) HA PRO 113 - H ASN 120 far 0 98 0 - 7.8-9.9 HA ASN 59 - H ASN 120 far 0 60 0 - 8.0-9.2 HA SER 107 - H ASN 120 far 0 71 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 11570 from nnoeabs.peaks (1.56, 8.26, 119.72 ppm; 4.78 A increased from 4.50 A): 1 out of 8 assignments used, quality = 1.00: HG LEU 123 + H LEU 123 OK 100 100 100 100 4.0-4.5 4.6=100 HB2 LEU 119 - H LEU 123 far 0 85 0 - 5.5-6.1 HG LEU 49 - H LEU 123 far 0 99 0 - 6.5-7.6 HB2 LEU 103 - H LEU 123 far 0 95 0 - 7.5-8.7 HG2 ARG 23 - H GLU 30 far 0 96 0 - 8.4-18.9 HB2 LEU 22 - H GLU 30 far 0 82 0 - 8.6-20.1 HG LEU 103 - H LEU 123 far 0 99 0 - 9.2-10.3 HB3 LEU 42 - H ASP 131 far 0 66 0 - 10.0-10.8 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; 5.03 A increased from 4.47 A): 1 out of 8 assignments used, quality = 0.94: QD1 LEU 53 + H SER 124 OK 94 100 95 99 4.1-6.3 11422/7766=73...(13) QD1 LEU 122 - H SER 124 far 5 98 5 - 4.7-7.1 QD2 LEU 122 - H SER 124 far 5 97 5 - 5.6-6.3 QD2 LEU 49 - H SER 124 far 0 100 0 - 6.1-6.8 QD1 LEU 96 - H SER 124 far 0 68 0 - 6.6-7.3 QD2 LEU 119 - H SER 124 far 0 100 0 - 8.3-8.9 QD1 LEU 103 - H SER 124 far 0 90 0 - 8.9-9.8 QG2 ILE 129 - H SER 124 far 0 73 0 - 9.7-9.9 Violated in 2 structures by 0.06 A. Peak 11647 from nnoeabs.peaks (7.08, 8.47, 118.09 ppm; 5.43 A): 2 out of 5 assignments used, quality = 0.99: QD PHE 89 + H VAL 132 OK 98 98 100 100 4.4-5.2 11943/7917=81...(10) HE ARG 135 + H VAL 132 OK 57 76 75 100 4.1-6.9 11868/3.0=60...(10) HE ARG 135 - H SER 9 far 0 48 0 - 8.2-56.3 HZ PHE 87 - H SER 9 far 0 50 0 - 9.1-56.6 HZ PHE 87 - H VAL 132 far 0 78 0 - 9.9-16.3 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 2.1-2.3 9445=50, 10991/6598=49...(24) QG2 THR 54 - H LEU 49 far 0 99 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 11705 from nnoeabs.peaks (0.90, 8.08, 120.56 ppm; 3.89 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 118 + H LEU 103 OK 100 100 100 100 2.4-3.3 11836/3.0=62...(17) QG2 VAL 63 + H LEU 103 OK 36 97 45 83 4.2-5.0 11811/7485=40...(13) QD2 LEU 98 - H LEU 103 far 0 76 0 - 7.5-8.8 QD1 LEU 62 - H LEU 103 far 0 93 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. Peak 11726 from nnoeabs.peaks (0.92, 7.71, 113.84 ppm; 4.62 A increased from 4.11 A): 2 out of 9 assignments used, quality = 1.00: QD1 LEU 62 + H LEU 53 OK 99 99 100 100 4.2-4.6 2.1/9251=76...(10) QD1 LEU 123 + H LEU 53 OK 88 99 100 89 4.5-5.1 11874/6657=60...(8) QG1 VAL 57 - H LEU 53 far 0 60 0 - 5.8-6.2 QD2 LEU 48 - H LEU 53 far 0 97 0 - 6.2-7.4 QD1 LEU 49 - H LEU 53 far 0 99 0 - 6.3-6.7 QD1 LEU 48 - H LEU 53 far 0 100 0 - 7.6-8.5 QD1 LEU 119 - H LEU 53 far 0 78 0 - 7.9-8.5 QG1 VAL 118 - H LEU 53 far 0 83 0 - 9.1-10.0 QG2 VAL 63 - H LEU 53 far 0 98 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 11732 from nnoeabs.peaks (7.78, 7.92, 113.21 ppm; 5.45 A): 2 out of 3 assignments used, quality = 0.86: H VAL 118 + HD22 ASN 116 OK 80 81 100 100 3.5-4.9 4.0/10204=71...(12) HD22 ASN 59 + HD22 ASN 116 OK 26 85 55 56 2.2-7.3 11427/10223=26...(7) HD22 ASN 121 - HD22 ASN 116 far 0 100 0 - 8.6-10.7 Violated in 0 structures by 0.00 A. Peak 11733 from nnoeabs.peaks (7.77, 7.01, 113.21 ppm; 5.84 A): 2 out of 3 assignments used, quality = 0.97: H VAL 118 + HD21 ASN 116 OK 95 96 100 100 4.1-5.6 3748/11532=69...(10) HD22 ASN 59 + HD21 ASN 116 OK 23 63 55 65 3.6-8.0 11427/10219=49...(4) HD22 ASN 121 - HD21 ASN 116 far 0 95 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 11734 from nnoeabs.peaks (4.37, 7.60, 111.74 ppm; 4.09 A): 0 out of 3 assignments used, quality = 0.00: HA PRO 117 - HD21 ASN 120 far 5 100 5 - 3.3-5.6 HA PRO 113 - HD21 ASN 120 far 0 100 0 - 6.6-11.9 HA CYS 125 - HD21 ASN 120 far 0 95 0 - 9.3-13.1 Violated in 19 structures by 1.12 A. Peak 11735 from nnoeabs.peaks (4.37, 6.77, 111.74 ppm; 4.53 A): 1 out of 5 assignments used, quality = 0.97: HA PRO 117 + HD22 ASN 120 OK 97 99 100 97 3.5-4.6 11561/3.5=72...(11) HA THR 115 - HD22 ASN 120 far 0 63 0 - 6.5-11.4 HA PRO 113 - HD22 ASN 120 far 0 100 0 - 6.6-13.4 HA CYS 125 - HD22 ASN 120 far 0 87 0 - 8.6-12.5 HA SER 107 - HD22 ASN 120 far 0 92 0 - 10.0-13.4 Violated in 1 structures by 0.00 A. Peak 11737 from nnoeabs.peaks (6.81, 7.76, 112.26 ppm; 4.73 A increased from 4.45 A): 1 out of 1 assignment used, quality = 0.99: QE TYR 72 + HE22 GLN 68 OK 99 100 100 100 4.0-4.8 11830/3.5=68...(11) Violated in 2 structures by 0.01 A. Peak 11748 from nnoeabs.peaks (0.90, 8.18, 122.62 ppm; 4.56 A): 1 out of 7 assignments used, quality = 0.99: QG1 VAL 118 + H LEU 122 OK 99 100 100 99 3.2-3.9 11602/7724=55...(16) QD1 LEU 62 - H LEU 122 poor 17 87 20 - 5.1-6.5 QD2 LEU 123 - H LEU 122 far 0 97 0 - 6.1-6.4 QD1 LEU 49 - H LEU 122 far 0 89 0 - 7.3-8.2 QG2 VAL 63 - H LEU 122 far 0 92 0 - 7.4-8.1 QD2 LEU 98 - H LEU 122 far 0 85 0 - 7.8-9.3 QD2 LEU 69 - H LEU 122 far 0 68 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 11749 from nnoeabs.peaks (0.96, 8.18, 122.62 ppm; 5.15 A increased from 4.85 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 126 + H LEU 122 OK 99 100 100 99 4.8-5.4 10397/2.9=87...(15) QD2 LEU 53 + H LEU 122 OK 99 100 100 99 3.9-5.2 11818/3.3=64...(31) QD1 LEU 119 - H LEU 122 far 0 76 0 - 6.5-6.9 QG1 VAL 126 - H LEU 122 far 0 99 0 - 7.0-7.6 Violated in 0 structures by 0.00 A. Peak 11751 from nnoeabs.peaks (4.37, 7.54, 116.56 ppm; 4.85 A): 1 out of 2 assignments used, quality = 0.93: HA CYS 73 + H VAL 77 OK 93 97 100 97 3.2-4.0 11789/3.1=66...(9) HA ASP 78 - H VAL 77 poor 19 97 20 - 5.4-5.5 Violated in 0 structures by 0.00 A. Peak 11757 from nnoeabs.peaks (3.80, 8.41, 122.27 ppm; 6.04 A increased from 4.83 A): 2 out of 3 assignments used, quality = 0.94: HB3 SER 9 + H MET 11 OK 83 99 95 88 2.5-6.7 4.5/6060=80, 11756/3.6=39 HB2 SER 9 + H MET 11 OK 66 100 75 88 2.3-6.8 4.5/6060=80, 11756/3.6=39 HA ARG 90 - H MET 11 far 5 100 5 - 6.2-39.2 Violated in 0 structures by 0.00 A. Peak 11760 from nnoeabs.peaks (4.29, 8.37, 109.62 ppm; 5.08 A increased from 4.78 A): 1 out of 7 assignments used, quality = 0.99: HA ALA 15 + H GLY 14 OK 99 100 100 99 4.2-4.9 2.1/10659=85...(9) HA ALA 12 - H GLY 14 poor 20 100 20 - 3.8-6.4 HA ALA 16 - H GLY 14 far 0 95 0 - 6.4-9.0 HA PHE 87 - H GLY 14 far 0 73 0 - 7.1-41.8 HA2 GLY 75 - H GLY 14 far 0 60 0 - 9.6-32.9 HA THR 18 - H GLY 14 far 0 100 0 - 9.8-14.5 HA SER 74 - H GLY 14 far 0 100 0 - 9.9-35.3 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): 1 out of 2 assignments used, quality = 0.89: HA GLU 102 + H SER 106 OK 89 97 100 93 2.9-4.2 10086/7539=57...(8) HA GLN 104 - H SER 106 far 7 65 10 - 4.4-5.2 Violated in 2 structures by 0.03 A. Peak 11783 from nnoeabs.peaks (4.00, 8.24, 121.99 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.94: HA VAL 20 + H ARG 23 OK 94 98 100 96 2.8-4.8 10724/4.6=52...(11) Violated in 0 structures by 0.00 A. Peak 11784 from nnoeabs.peaks (0.86, 8.38, 118.14 ppm; 5.37 A): 1 out of 5 assignments used, quality = 0.96: QG2 ILE 32 + H ASP 35 OK 96 97 100 99 2.0-2.5 10892/6387=73...(10) QD2 LEU 69 - H THR 65 far 0 97 0 - 6.1-6.4 QG2 VAL 57 - H THR 65 far 0 100 0 - 7.0-7.5 QD2 LEU 70 - H THR 65 far 0 100 0 - 8.0-8.3 QD2 LEU 22 - H ASP 35 far 0 82 0 - 9.1-17.7 Violated in 0 structures by 0.00 A. Peak 11785 from nnoeabs.peaks (0.96, 8.66, 113.28 ppm; 3.89 A): 1 out of 9 assignments used, quality = 0.99: QG1 VAL 126 + H SER 50 OK 99 100 100 99 2.5-3.1 11601=85, 11615/6620=30...(16) QG2 VAL 126 - H SER 50 far 10 100 10 - 4.5-4.9 QD2 LEU 53 - H SER 50 far 0 99 0 - 5.1-6.6 QD1 LEU 119 - H SER 60 far 0 79 0 - 6.8-8.0 QG1 VAL 57 - H SER 60 far 0 89 0 - 7.0-7.4 QD2 LEU 53 - H SER 60 far 0 91 0 - 7.6-9.1 QG1 VAL 112 - H SER 60 far 0 90 0 - 7.8-9.4 QG1 VAL 57 - H SER 50 far 0 97 0 - 8.7-9.5 QG1 VAL 105 - H SER 60 far 0 94 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 11786 from nnoeabs.peaks (4.37, 6.60, 111.09 ppm; 5.18 A increased from 4.87 A): 1 out of 3 assignments used, quality = 0.86: HA SER 107 + HD21 ASN 59 OK 86 87 100 99 1.9-5.0 11475=79, 11787/1.7=70...(9) HA PRO 113 - HD21 ASN 59 far 0 100 0 - 8.1-12.2 HA PRO 117 - HD21 ASN 59 far 0 100 0 - 8.2-12.2 Violated in 0 structures by 0.00 A. Peak 11787 from nnoeabs.peaks (4.36, 7.79, 111.09 ppm; 5.66 A): 1 out of 3 assignments used, quality = 0.73: HA SER 107 + HD22 ASN 59 OK 73 76 100 97 3.3-5.8 11786/1.7=91, ~9335=50...(5) HA PRO 113 - HD22 ASN 59 far 0 99 0 - 6.7-13.1 HA PRO 117 - HD22 ASN 59 far 0 100 0 - 7.6-13.6 Violated in 2 structures by 0.01 A. Peak 11789 from nnoeabs.peaks (4.38, 8.04, 121.95 ppm; 4.60 A): 1 out of 5 assignments used, quality = 1.00: HA CYS 73 + H TYR 76 OK 100 100 100 100 3.0-3.8 11751/3.1=56...(12) HA ASP 78 - H TYR 76 far 0 100 0 - 6.9-7.1 HA SER 33 - H TYR 76 far 0 93 0 - 9.0-10.4 HA HIS 5 - H ALA 16 far 0 24 0 - 9.8-37.4 HA CYS 73 - H ALA 16 far 0 48 0 - 9.9-40.3 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 4 assignments used, quality = 0.95: HG CYS 73 + H TYR 72 OK 95 99 100 96 4.0-4.8 9555/3.5=76...(9) HB2 CYS 45 - H TYR 72 far 0 100 0 - 5.9-6.5 HE2 LYS 36 - H TYR 72 far 0 93 0 - 8.9-11.0 HE3 LYS 36 - H TYR 72 far 0 87 0 - 9.4-11.4 Violated in 3 structures by 0.01 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 9 assignments used, quality = 0.94: HA SER 74 + HE ARG 90 OK 88 89 100 99 3.8-7.0 11195/11172=77...(10) HA PHE 87 + HE ARG 90 OK 49 98 50 100 2.9-7.5 2723/11839=82...(6) HA ALA 16 - HE ARG 90 far 5 100 5 - 6.7-37.4 HA ALA 12 - HE ARG 90 far 5 97 5 - 6.3-33.2 HA ALA 15 - HE ARG 90 far 0 97 0 - 7.6-37.7 HA ALA 21 - HE ARG 90 far 0 90 0 - 7.8-28.3 HA ARG 84 - HE ARG 90 far 0 68 0 - 8.4-12.9 HA THR 18 - HE ARG 90 far 0 87 0 - 8.5-32.3 HA LYS 19 - HE ARG 90 far 0 99 0 - 8.6-33.1 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 5 assignments used, quality = 1.00: HD2 ARG 90 + HE ARG 90 OK 100 100 100 100 2.3-2.9 2.9=100 HD3 ARG 90 + HE ARG 90 OK 100 100 100 100 2.7-2.9 2.9=100 HD3 ARG 23 - HE ARG 90 far 0 99 0 - 7.0-27.6 HD2 ARG 23 - HE ARG 90 far 0 99 0 - 7.7-27.7 HB2 HIS 10 - HE ARG 90 far 0 100 0 - 9.0-39.8 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 7 assignments used, quality = 0.98: HG2 ARG 90 + HE ARG 90 OK 98 99 100 100 2.8-3.8 4.0=82, 1.8/11840=73...(13) HB3 MET 11 - HE ARG 90 far 5 99 5 - 4.2-35.0 HB2 GLU 91 - HE ARG 90 far 0 83 0 - 5.8-8.7 QE MET 11 - HE ARG 90 far 0 68 0 - 6.1-31.6 HB VAL 20 - HE ARG 90 far 0 95 0 - 6.8-30.4 HB3 GLU 91 - HE ARG 90 far 0 87 0 - 7.3-9.9 HB ILE 129 - HE ARG 90 far 0 96 0 - 8.5-12.3 Violated in 3 structures by 0.01 A. Peak 11838 from nnoeabs.peaks (1.95, 7.35, 84.71 ppm; 4.19 A): 1 out of 5 assignments used, quality = 1.00: HB3 ARG 90 + HE ARG 90 OK 100 100 100 100 1.8-3.9 1.8/11839=73...(19) HB2 MET 11 - HE ARG 90 far 3 68 5 - 4.0-36.6 HB3 LYS 86 - HE ARG 90 far 0 99 0 - 5.2-9.6 HB2 LYS 95 - HE ARG 90 far 0 96 0 - 7.7-12.4 HB3 LYS 95 - HE ARG 90 far 0 98 0 - 9.2-13.8 Violated in 0 structures by 0.00 A. Peak 11839 from nnoeabs.peaks (1.90, 7.35, 84.71 ppm; 4.35 A increased from 4.09 A): 1 out of 2 assignments used, quality = 0.98: HB2 ARG 90 + HE ARG 90 OK 98 98 100 100 1.8-4.4 1.8/11838=81, 4.8=76...(18) HB2 MET 11 - HE ARG 90 far 4 85 5 - 4.0-36.6 Violated in 1 structures by 0.00 A. Peak 11840 from nnoeabs.peaks (1.73, 7.35, 84.71 ppm; 3.80 A increased from 3.57 A): 1 out of 8 assignments used, quality = 0.99: HG3 ARG 90 + HE ARG 90 OK 99 99 100 100 2.1-3.8 4.0=85, 1.8/11837=76...(13) HG13 ILE 129 - HE ARG 90 far 0 85 0 - 6.0-12.1 HB ILE 80 - HE ARG 90 far 0 96 0 - 7.0-9.3 HB2 LYS 19 - HE ARG 90 far 0 71 0 - 7.0-35.2 HB2 LEU 70 - HE ARG 90 far 0 93 0 - 8.2-13.2 HG LEU 98 - HE ARG 90 far 0 90 0 - 8.8-14.0 HB3 LEU 70 - HE ARG 90 far 0 97 0 - 9.2-14.1 HB2 ARG 23 - HE ARG 90 far 0 57 0 - 9.4-26.5 Violated in 0 structures by 0.00 A. Peak 11841 from nnoeabs.peaks (1.19, 7.35, 84.71 ppm; 4.06 A increased from 3.82 A): 1 out of 4 assignments used, quality = 0.99: QG2 VAL 77 + HE ARG 90 OK 99 99 100 100 2.5-4.0 9676=96, 2.1/11842=67...(18) QG2 THR 18 - HE ARG 90 far 0 89 0 - 8.1-28.6 HG12 ILE 80 - HE ARG 90 far 0 76 0 - 8.2-10.5 QG2 THR 25 - HE ARG 90 far 0 100 0 - 9.1-19.7 Violated in 0 structures by 0.00 A. Peak 11842 from nnoeabs.peaks (1.06, 7.35, 84.71 ppm; 4.25 A increased from 4.00 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 77 + HE ARG 90 OK 100 100 100 100 2.3-4.3 2.1/11841=77, 11173=71...(17) QG2 VAL 133 - HE ARG 90 far 0 78 0 - 8.4-9.9 Violated in 1 structures by 0.00 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 70 - HE ARG 90 far 0 92 0 - 6.0-10.5 QD2 LEU 98 - HE ARG 90 far 0 100 0 - 7.1-11.1 QG2 VAL 20 - HE ARG 90 far 0 83 0 - 7.3-24.6 QD1 LEU 98 - HE ARG 90 far 0 98 0 - 8.7-13.1 Violated in 20 structures by 2.06 A. Peak 11847 from nnoeabs.peaks (3.81, 7.35, 84.71 ppm; 5.49 A): 1 out of 2 assignments used, quality = 0.95: HA ARG 90 + HE ARG 90 OK 95 95 100 100 1.9-5.1 5.6=93, 3.0/11838=89...(23) HB3 SER 9 - HE ARG 90 far 0 100 0 - 9.3-42.1 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 3.2-5.6 7219/4.0=97...(19) 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 2 assignments used, quality = 1.00: HD3 ARG 84 + HE ARG 84 OK 100 100 100 100 2.3-2.9 2.9=100 * HD2 ARG 84 + HE ARG 84 OK 100 100 100 100 2.3-2.9 2.9=100 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 4 assignments used, quality = 1.00: HG3 ARG 84 + HE ARG 84 OK 100 100 100 100 2.1-3.6 3.6=100 HG2 ARG 84 + HE ARG 84 OK 100 100 100 100 2.1-4.0 3.6=100 QB ALA 88 - HE ARG 84 far 4 73 5 - 4.0-9.3 HD3 LYS 86 - HE ARG 84 far 0 78 0 - 9.4-12.2 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 2.4-5.2 5.1=100 HB3 ARG 135 - HE ARG 84 far 5 96 5 - 5.8-11.1 HB2 LYS 86 - HE ARG 84 far 0 96 0 - 7.9-10.7 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 3 assignments used, quality = 0.98: HB3 ARG 84 + HE ARG 84 OK 98 98 100 100 2.0-4.8 5.1=100 HB2 MET 11 - HE ARG 84 far 5 97 5 - 4.3-52.3 HB2 ARG 135 - HE ARG 84 lone 1 96 25 2 5.2-10.9 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 3 assignments used, quality = 0.97: HA ARG 84 + HE ARG 84 OK 97 97 100 100 2.3-5.0 5.5=74, 2570/2.9=40...(25) HA ALA 12 - HE ARG 84 far 0 65 0 - 6.2-49.0 HA PHE 87 - HE ARG 84 far 0 99 0 - 7.6-11.1 Violated in 1 structures by 0.00 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; 4.77 A increased from 4.49 A): 1 out of 2 assignments used, quality = 1.00: H ARG 135 + HE ARG 135 OK 100 100 100 100 3.4-4.9 10612=78, 7983/11874=76...(16) QD PHE 87 - HE ARG 135 far 0 97 0 - 9.2-12.2 Violated in 3 structures by 0.01 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 1.9-5.2 3.0/11872=80, 10613=79...(12) HD3 PRO 81 - HE ARG 135 far 0 93 0 - 8.8-12.2 Violated in 1 structures by 0.02 A. Peak 11868 from nnoeabs.peaks (3.52, 7.05, 84.98 ppm; 4.26 A increased from 3.79 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 132 + HE ARG 135 OK 100 100 100 100 2.2-4.5 3.2/11875=68...(17) Violated in 2 structures by 0.01 A. Peak 11869 from nnoeabs.peaks (3.24, 7.05, 84.98 ppm; 3.39 A): 1 out of 7 assignments used, quality = 1.00: HD3 ARG 135 + HE ARG 135 OK 100 100 100 100 2.7-2.9 2.9=100 HB3 HIS 8 - HE ARG 135 far 0 65 0 - 6.0-56.8 HB2 HIS 5 - HE ARG 135 far 0 100 0 - 6.4-67.6 HB3 PHE 87 - HE ARG 135 far 0 100 0 - 8.1-13.9 HB2 PHE 87 - HE ARG 135 far 0 99 0 - 8.3-13.4 HB3 HIS 4 - HE ARG 135 far 0 100 0 - 9.4-71.5 HB3 HIS 10 - HE ARG 135 far 0 87 0 - 9.6-51.8 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 4 assignments used, quality = 1.00: HD2 ARG 135 + HE ARG 135 OK 100 100 100 100 2.7-2.8 2.9=100 HE3 LYS 39 - HE ARG 135 far 0 97 0 - 7.7-10.9 HE2 LYS 39 - HE ARG 135 far 0 99 0 - 8.0-12.0 HE3 LYS 86 - HE ARG 135 far 0 78 0 - 9.6-14.8 Violated in 0 structures by 0.00 A. Peak 11871 from nnoeabs.peaks (2.04, 7.05, 84.98 ppm; 3.72 A increased from 3.30 A): 1 out of 6 assignments used, quality = 0.99: HG3 ARG 135 + HE ARG 135 OK 99 99 100 100 2.2-3.6 4.0=80, 1.8/11874=74...(10) HB2 GLN 134 - HE ARG 135 far 0 87 0 - 4.5-8.9 QE MET 11 - HE ARG 135 far 0 100 0 - 7.0-45.2 HG3 PRO 81 - HE ARG 135 far 0 94 0 - 7.8-10.7 HB3 MET 11 - HE ARG 135 far 0 90 0 - 8.9-51.3 HB2 GLN 127 - HE ARG 135 far 0 87 0 - 10.0-14.8 Violated in 0 structures by 0.00 A. Peak 11872 from nnoeabs.peaks (1.90, 7.05, 84.98 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: HB2 ARG 135 + HE ARG 135 OK 100 100 100 100 1.8-4.0 1.8/11873=66...(14) HB3 ARG 84 - HE ARG 135 far 0 100 0 - 5.0-10.2 HB2 MET 11 - HE ARG 135 far 0 78 0 - 9.2-51.8 Violated in 1 structures by 0.01 A. Peak 11873 from nnoeabs.peaks (1.81, 7.05, 84.98 ppm; 4.27 A increased from 4.02 A): 1 out of 3 assignments used, quality = 1.00: HB3 ARG 135 + HE ARG 135 OK 100 100 100 100 2.7-4.3 1.8/11872=85...(14) HB2 ARG 84 - HE ARG 135 far 15 99 15 - 4.0-9.8 HB2 LYS 86 - HE ARG 135 far 0 83 0 - 9.1-13.2 Violated in 2 structures by 0.00 A. Peak 11874 from nnoeabs.peaks (1.72, 7.05, 84.98 ppm; 3.72 A increased from 3.31 A): 1 out of 3 assignments used, quality = 0.99: HG2 ARG 135 + HE ARG 135 OK 99 99 100 100 2.2-3.6 10615=81, 1.8/11871=74...(8) HD3 LYS 39 - HE ARG 135 far 0 100 0 - 8.6-12.0 HB ILE 80 - HE ARG 135 far 0 80 0 - 9.1-12.3 Violated in 0 structures by 0.00 A. Peak 11875 from nnoeabs.peaks (1.14, 7.05, 84.98 ppm; 3.71 A): 1 out of 4 assignments used, quality = 0.35: QG1 VAL 132 + HE ARG 135 OK 35 100 35 99 1.9-5.1 3.2/11868=45...(23) QG2 VAL 132 - HE ARG 135 poor 20 100 20 - 3.9-5.9 HG2 LYS 39 - HE ARG 135 far 0 100 0 - 9.6-12.9 HG3 LYS 39 - HE ARG 135 far 0 80 0 - 9.7-11.4 Violated in 16 structures by 0.72 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 13 assignments used, quality = 1.00: HA ARG 23 + HE ARG 23 OK 100 100 100 100 3.8-6.6 6.4=100 HA LEU 22 + HE ARG 23 OK 25 89 40 70 5.1-9.2 375/7.1=61, 453/3.6=14...(4) HA ALA 21 - HE ARG 23 lone 7 100 65 11 4.3-10.2 6202/7.1=6, 453/3.6=3 HA LYS 31 - HE ARG 23 far 5 99 5 - 3.7-21.7 HA THR 25 - HE ARG 23 lone 1 99 30 3 6.6-10.4 HA LYS 26 - HE ARG 23 lone 1 90 25 3 4.1-12.6 HA ALA 16 - HE ARG 23 far 0 98 0 - 7.6-19.0 HA TYR 76 - HE ARG 23 far 0 65 0 - 7.7-26.6 HA THR 18 - HE ARG 23 far 0 99 0 - 8.0-13.4 HA SER 74 - HE ARG 23 far 0 99 0 - 8.0-27.1 HA LYS 19 - HE ARG 23 far 0 87 0 - 8.2-12.8 HA ALA 15 - HE ARG 23 far 0 100 0 - 9.6-20.8 HA LYS 36 - HE ARG 23 far 0 97 0 - 9.9-24.5 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 5 assignments used, quality = 1.00: HD2 ARG 23 + HE ARG 23 OK 100 100 100 100 2.3-2.9 2.9=100 HD3 ARG 23 + HE ARG 23 OK 100 100 100 100 2.3-2.9 2.9=100 HB2 HIS 10 - HE ARG 23 far 0 100 0 - 8.7-34.2 HD3 ARG 90 - HE ARG 23 far 0 100 0 - 8.8-30.3 HD2 ARG 90 - HE ARG 23 far 0 100 0 - 9.5-29.2 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 9 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=34...(16) HB3 LYS 31 - HE ARG 23 far 5 99 5 - 4.9-22.8 HB3 LYS 26 - HE ARG 23 far 0 100 0 - 5.5-14.9 HB3 LYS 24 - HE ARG 23 far 0 100 0 - 5.9-10.6 HB ILE 32 - HE ARG 23 far 0 100 0 - 5.9-19.5 HB2 CYS 79 - HE ARG 23 far 0 83 0 - 6.6-26.8 HB3 LYS 19 - HE ARG 23 far 0 99 0 - 6.8-12.2 HB2 LYS 36 - HE ARG 23 far 0 100 0 - 7.1-23.2 HB2 LYS 86 - HE ARG 23 far 0 73 0 - 9.7-30.8 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 7 assignments used, quality = 1.00: HB2 ARG 23 + HE ARG 23 OK 100 100 100 100 3.0-5.0 4.8=100 HB2 LYS 26 - HE ARG 23 far 5 100 5 - 5.0-14.4 HB2 LYS 31 - HE ARG 23 far 5 98 5 - 3.9-21.4 HB2 LYS 24 - HE ARG 23 far 0 100 0 - 6.1-10.4 HB2 LYS 19 - HE ARG 23 far 0 100 0 - 8.5-13.5 HG3 ARG 90 - HE ARG 23 far 0 83 0 - 8.7-30.0 HB ILE 80 - HE ARG 23 far 0 92 0 - 10.0-29.6 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 6 assignments used, quality = 1.00: HG3 ARG 23 + HE ARG 23 OK 100 100 100 100 2.2-4.0 3.6=100 HB3 LEU 22 - HE ARG 23 far 0 99 0 - 6.0-10.8 HG LEU 22 - HE ARG 23 far 0 99 0 - 8.3-12.0 HG LEU 70 - HE ARG 23 far 0 95 0 - 9.1-31.7 HD3 LYS 19 - HE ARG 23 far 0 73 0 - 9.2-13.8 HD2 LYS 19 - HE ARG 23 far 0 73 0 - 9.7-13.6 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 2.1-4.0 3.6=100 HG13 ILE 37 - HE ARG 23 far 0 81 0 - 7.8-25.7 HG LEU 70 - HE ARG 23 far 0 60 0 - 9.1-31.7 Violated in 0 structures by 0.00 A. Peak 11886 from nnoeabs.peaks (2.00, 7.56, 115.93 ppm; 5.40 A increased from 5.09 A): 1 out of 4 assignments used, quality = 1.00: * HG2 PRO 81 + H GLN 82 OK 100 100 100 100 1.8-5.4 11914=91, 1.8/11265=70...(7) HB VAL 20 - H GLN 82 far 0 100 0 - 9.0-35.8 HG2 ARG 90 - H GLN 82 far 0 73 0 - 9.6-11.9 HB2 GLN 134 - H GLN 82 far 0 78 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 11917 from nnoeabs.peaks (0.94, 7.99, 115.96 ppm; 5.01 A increased from 4.22 A): 3 out of 10 assignments used, quality = 0.97: QD1 LEU 123 + H SER 51 OK 80 84 100 95 4.6-5.2 11874/3.6=79...(7) QG1 VAL 126 + H SER 51 OK 74 82 95 95 4.9-5.7 11601/3.1=70...(9) QD1 LEU 49 + H SER 51 OK 49 52 95 99 5.1-5.6 4.7/6610=56, ~6619=42...(13) QD2 LEU 53 - H SER 51 far 9 62 15 - 5.4-6.8 QD1 LEU 48 - H SER 51 far 0 77 0 - 6.3-6.6 QG2 VAL 126 - H SER 51 far 0 69 0 - 6.7-7.3 QD1 LEU 62 - H SER 51 far 0 54 0 - 7.0-7.6 QG1 VAL 57 - H SER 51 far 0 92 0 - 7.4-8.0 QG2 VAL 126 - H SER 94 far 0 78 0 - 7.6-8.2 QG1 VAL 126 - H SER 94 far 0 92 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 11918 from nnoeabs.peaks (0.85, 7.98, 115.88 ppm; 4.37 A): 0 out of 5 assignments used, quality = 0.00: QD2 LEU 70 - H SER 94 far 0 93 0 - 5.4-5.9 QD2 LEU 98 - H SER 94 far 0 64 0 - 5.6-6.4 QD2 LEU 69 - H SER 51 far 0 89 0 - 6.4-7.1 QG2 VAL 57 - H SER 51 far 0 97 0 - 6.7-7.0 QD1 LEU 98 - H SER 94 far 0 89 0 - 7.1-8.5 Violated in 20 structures by 0.45 A. Peak 11919 from nnoeabs.peaks (0.69, 7.13, 112.66 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.95: QD1 LEU 43 + HE22 GLN 134 OK 95 96 100 100 1.8-4.4 2.1/10630=85...(9) Violated in 1 structures by 0.01 A. Peak 11920 from nnoeabs.peaks (8.13, 8.00, 120.91 ppm; 4.49 A): 0 out of 2 assignments used, quality = 0.00: H ILE 32 - H LYS 36 far 0 99 0 - 7.1-8.0 H THR 25 - H LYS 36 far 0 60 0 - 9.9-16.4 Violated in 20 structures by 3.11 A. Peak 11921 from nnoeabs.peaks (8.07, 6.60, 111.09 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: H ALA 108 + HD21 ASN 59 OK 97 97 100 100 2.9-5.0 11482=96, 3.6/11786=91...(9) H ALA 109 + HD21 ASN 59 OK 94 96 100 98 3.6-5.3 4.6/11482=81...(8) H LEU 103 + HD21 ASN 59 OK 53 97 55 99 5.8-8.0 4.8/11424=86...(5) H ASN 120 - HD21 ASN 59 far 0 99 0 - 7.9-10.8 Violated in 0 structures by 0.00 A. Peak 11940 from nnoeabs.peaks (0.86, 8.43, 125.99 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: QG2 ILE 32 + H ALA 34 OK 100 100 100 100 2.2-3.1 910/6369=99, 10811=99...(13) QD2 LEU 98 - H ALA 12 far 0 68 0 - 7.8-31.5 QD1 LEU 98 - H ALA 12 far 0 83 0 - 9.9-29.6 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 2 assignments used, quality = 1.00: HB THR 18 + H VAL 20 OK 100 100 100 100 4.9-6.6 6146/6157=99...(7) HB THR 25 - H VAL 20 far 0 100 0 - 8.1-15.1 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 1 assignment used, quality = 1.00: * HB2 HIS 3 + HA HIS 3 OK 100 100 100 100 2.4-3.0 3.0=100 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 4 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 3 far 0 100 0 - 6.5-12.8 HB3 HIS 6 - HA HIS 3 far 0 97 0 - 6.7-12.6 HB3 HIS 7 - HA HIS 3 far 0 100 0 - 9.4-16.8 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 2 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 6 - HB2 HIS 3 far 3 60 5 - 7.0-12.4 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 HB2 HIS 6 - HB2 HIS 3 far 0 100 0 - 5.8-13.6 HB3 HIS 6 - HB2 HIS 3 far 0 97 0 - 7.1-13.7 HB3 HIS 7 - HB2 HIS 3 far 0 100 0 - 9.7-16.9 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 2.0-4.6 4.7=100 H HIS 5 - HB2 HIS 3 lone 4 99 80 5 2.9-7.9 26/1.8=2 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 6 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 2.5-3.0 3.0=100 HA HIS 6 + HB3 HIS 6 OK 26 26 100 100 2.4-3.0 3.0=100 HA HIS 3 - HB2 HIS 6 far 0 66 0 - 6.5-12.8 HA HIS 3 - HB3 HIS 6 far 0 54 0 - 6.7-12.6 HA HIS 6 - HB3 HIS 3 far 0 60 0 - 8.2-12.0 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 - HB2 HIS 6 far 0 66 0 - 5.8-13.6 HB2 HIS 3 - HB3 HIS 6 far 0 54 0 - 7.1-13.7 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 6 assignments used, quality = 1.00: * H HIS 4 + HB3 HIS 3 OK 100 100 100 100 2.0-4.2 4.7=100 H HIS 5 - HB3 HIS 6 poor 16 52 30 - 4.4-7.4 H HIS 5 - HB3 HIS 3 lone 2 99 55 4 2.8-7.8 21/1.8=2 H HIS 5 - HB2 HIS 6 lone 1 64 60 2 4.1-7.5 H HIS 4 - HB2 HIS 6 far 0 66 0 - 6.2-10.3 H HIS 4 - HB3 HIS 6 far 0 54 0 - 7.0-10.8 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 - 5.7-8.4 HA HIS 7 - HB2 HIS 4 far 0 99 0 - 6.7-12.3 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 5 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 10 100 10 - 3.8-7.6 HB3 HIS 10 - HB2 HIS 4 far 0 76 0 - 8.0-22.1 HB3 HIS 8 - HB2 HIS 4 far 0 78 0 - 8.3-16.8 HB3 CYS 125 - HB2 HIS 4 far 0 65 0 - 9.4-59.8 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 7 - HB3 HIS 4 far 5 99 5 - 5.5-12.4 HA HIS 6 - HB3 HIS 4 lone 4 100 65 6 5.2-8.3 11936=3 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 3 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 - 4.4-12.4 HB2 HIS 8 - HB3 HIS 4 far 0 63 0 - 7.3-15.6 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 1 assignment used, quality = 1.00: * HB3 HIS 5 + HA HIS 5 OK 100 100 100 100 2.4-3.0 3.0=100 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): 1 out of 5 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 lone 6 100 95 6 5.0-7.5 ~11936=3 HD3 ARG 135 - HB3 HIS 5 far 0 100 0 - 7.7-68.3 HB3 HIS 8 - HB3 HIS 5 far 0 78 0 - 7.8-13.5 HB3 CYS 125 - HB3 HIS 5 far 0 65 0 - 9.5-56.6 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 15 assignments used, quality = 1.00: * HB2 HIS 6 + HA HIS 6 OK 100 100 100 100 2.5-3.0 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 2.4-3.0 3.0=100 HB2 HIS 8 - HA HIS 7 far 0 69 0 - 3.9-6.0 HB3 HIS 3 - HA HIS 4 far 0 99 0 - 4.1-5.8 HB3 HIS 6 - HA HIS 7 far 0 89 0 - 4.1-6.0 HB2 HIS 6 - HA HIS 7 far 0 93 0 - 4.1-6.0 HB3 HIS 7 - HA HIS 6 far 0 100 0 - 4.2-5.9 HB2 HIS 6 - HA HIS 4 far 0 100 0 - 4.5-9.3 HB3 HIS 6 - HA HIS 4 far 0 97 0 - 4.7-9.4 HB3 HIS 7 - HA HIS 4 far 0 99 0 - 5.0-13.1 HB2 HIS 8 - HA HIS 6 far 0 81 0 - 5.6-8.7 HB2 HIS 10 - HA HIS 7 far 0 76 0 - 8.1-12.9 HB3 HIS 3 - HA HIS 6 far 0 100 0 - 8.2-12.0 HB2 HIS 8 - HA HIS 4 far 0 79 0 - 9.3-15.3 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 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 6 + HA HIS 6 OK 98 98 100 100 2.5-3.0 3.0=100 HB3 HIS 7 + HA HIS 7 OK 87 87 100 100 2.4-3.0 3.0=100 HB3 HIS 3 - HA HIS 4 far 0 95 0 - 4.1-5.8 HB3 HIS 6 - HA HIS 7 far 0 93 0 - 4.1-6.0 HB2 HIS 6 - HA HIS 7 far 0 89 0 - 4.1-6.0 HB3 HIS 7 - HA HIS 6 far 0 97 0 - 4.2-5.9 HB2 HIS 6 - HA HIS 4 far 0 97 0 - 4.5-9.3 HB3 HIS 6 - HA HIS 4 far 0 100 0 - 4.7-9.4 HB3 HIS 7 - HA HIS 4 far 0 95 0 - 5.0-13.1 HB2 HIS 10 - HA HIS 7 far 0 89 0 - 8.1-12.9 HB3 HIS 3 - HA HIS 6 far 0 97 0 - 8.2-12.0 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 6 assignments used, quality = 0.98: 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 76 100 100 76 2.1-2.7 3.6=70, 4.4/69=9...(6) H HIS 7 - HA HIS 4 far 0 100 0 - 5.3-10.0 H HIS 10 - HA HIS 7 far 0 78 0 - 6.1-10.0 H HIS 10 - HA HIS 6 far 0 89 0 - 8.2-13.5 H SER 60 - HA HIS 7 far 0 53 0 - 9.9-61.3 Violated in 0 structures by 0.00 A. Peak 58 from cnoeabs.peaks (4.64, 3.16, 29.14 ppm; 3.80 A): 4 out of 17 assignments used, quality = 1.00: * HA HIS 6 + HB2 HIS 6 OK 100 100 100 100 2.5-3.0 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 2.4-3.0 3.0=100 HA HIS 3 + HB3 HIS 3 OK 33 33 100 100 2.4-3.0 3.0=100 HA HIS 6 - HB3 HIS 7 far 14 94 15 - 4.2-5.9 HA HIS 7 - HB2 HIS 6 far 10 99 10 - 4.1-6.0 HA HIS 7 - HB3 HIS 6 poor 9 91 35 30 4.1-6.0 ~6030=12, ~57=12, ~116=5...(5) HA HIS 4 - HB3 HIS 3 lone 0 66 45 1 4.1-5.8 HA HIS 4 - HB2 HIS 6 far 0 100 0 - 4.5-9.3 HA HIS 4 - HB3 HIS 6 far 0 94 0 - 4.7-9.4 HA HIS 4 - HB3 HIS 7 far 0 94 0 - 5.0-13.1 HA HIS 3 - HB2 HIS 6 far 0 60 0 - 6.5-12.8 HA ASN 13 - HB2 HIS 10 far 0 24 0 - 6.6-12.2 HA HIS 3 - HB3 HIS 6 far 0 52 0 - 6.7-12.6 HA HIS 7 - HB2 HIS 10 far 0 31 0 - 8.1-12.9 HA HIS 6 - HB3 HIS 3 far 0 66 0 - 8.2-12.0 HA HIS 3 - HB3 HIS 7 far 0 52 0 - 9.4-16.8 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 11 assignments used, quality = 1.00: * H HIS 7 + HB2 HIS 6 OK 100 100 100 100 2.2-4.6 4.4=100 H HIS 7 + HB3 HIS 7 OK 94 94 100 100 2.5-3.8 3.9=100 H HIS 7 + HB3 HIS 6 OK 94 94 100 100 1.9-4.3 4.4=100 H HIS 10 + HB2 HIS 10 OK 26 26 100 100 2.2-3.5 4.0=100 H HIS 10 - HB3 HIS 7 far 0 80 0 - 7.4-10.9 H HIS 10 - HB2 HIS 6 far 0 89 0 - 7.7-14.6 H HIS 10 - HB3 HIS 6 far 0 79 0 - 7.7-13.3 H SER 60 - HB3 HIS 7 far 0 55 0 - 8.4-61.1 H HIS 7 - HB2 HIS 10 far 0 33 0 - 8.7-13.2 H HIS 7 - HB3 HIS 3 far 0 66 0 - 9.4-14.3 H PHE 89 - HB2 HIS 10 far 0 31 0 - 9.8-46.3 Violated in 0 structures by 0.00 A. Peak 62 from cnoeabs.peaks (4.64, 3.17, 29.14 ppm; 3.75 A): 4 out of 17 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 2.5-3.0 3.0=100 HA HIS 7 + HB3 HIS 7 OK 78 78 100 100 2.4-3.0 3.0=100 HA HIS 3 + HB3 HIS 3 OK 26 26 100 100 2.4-3.0 3.0=100 HA HIS 6 - HB3 HIS 7 far 12 81 15 - 4.2-5.9 HA HIS 7 - HB2 HIS 6 far 9 91 10 - 4.1-6.0 HA HIS 7 - HB3 HIS 6 poor 9 99 30 31 4.1-6.0 ~6030=12, ~57=11, ~116=5...(5) HA HIS 4 - HB3 HIS 3 lone 0 54 45 1 4.1-5.8 HA HIS 4 - HB2 HIS 6 far 0 94 0 - 4.5-9.3 HA HIS 4 - HB3 HIS 6 far 0 100 0 - 4.7-9.4 HA HIS 4 - HB3 HIS 7 far 0 81 0 - 5.0-13.1 HA HIS 3 - HB2 HIS 6 far 0 52 0 - 6.5-12.8 HA ASN 13 - HB2 HIS 10 far 0 39 0 - 6.6-12.2 HA HIS 3 - HB3 HIS 6 far 0 60 0 - 6.7-12.6 HA HIS 7 - HB2 HIS 10 far 0 50 0 - 8.1-12.9 HA HIS 6 - HB3 HIS 3 far 0 54 0 - 8.2-12.0 HA HIS 3 - HB3 HIS 7 far 0 42 0 - 9.4-16.8 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 11 assignments used, quality = 1.00: * H HIS 7 + HB3 HIS 6 OK 100 100 100 100 1.9-4.3 4.4=100 H HIS 7 + HB2 HIS 6 OK 94 94 100 100 2.2-4.6 4.4=100 H HIS 7 + HB3 HIS 7 OK 81 81 100 100 2.5-3.8 3.9=100 H HIS 10 + HB2 HIS 10 OK 42 42 100 100 2.2-3.5 4.0=100 H HIS 10 - HB3 HIS 7 far 0 66 0 - 7.4-10.9 H HIS 10 - HB2 HIS 6 far 0 79 0 - 7.7-14.6 H HIS 10 - HB3 HIS 6 far 0 89 0 - 7.7-13.3 H SER 60 - HB3 HIS 7 far 0 44 0 - 8.4-61.1 H HIS 7 - HB2 HIS 10 far 0 53 0 - 8.7-13.2 H HIS 7 - HB3 HIS 3 far 0 54 0 - 9.4-14.3 H PHE 89 - HB2 HIS 10 far 0 50 0 - 9.8-46.3 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 9 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 far 0 93 0 - 3.9-6.0 HB2 HIS 8 - HA HIS 7 far 0 78 0 - 3.9-6.0 HB2 HIS 7 - HA HIS 4 far 0 91 0 - 4.3-12.9 HB2 HIS 8 - HA HIS 6 far 0 67 0 - 5.6-8.7 HB2 HIS 4 - HA HIS 6 far 0 91 0 - 5.7-8.4 HB2 HIS 4 - HA HIS 7 far 0 99 0 - 6.7-12.3 HB2 HIS 8 - HA HIS 4 far 0 65 0 - 9.3-15.3 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 15 assignments used, quality = 1.00: * HB3 HIS 7 + HA HIS 7 OK 94 100 100 94 2.4-3.0 3.0=92, 4.6/6036=22 HB2 HIS 6 + HA HIS 6 OK 84 92 100 91 2.5-3.0 3.0=90, 4.4/6030=11 HB3 HIS 6 + HA HIS 6 OK 79 87 100 91 2.4-3.0 3.0=90, 4.4/6030=11 HB2 HIS 8 - HA HIS 7 far 0 85 0 - 3.9-6.0 HB3 HIS 3 - HA HIS 4 far 0 91 0 - 4.1-5.8 HB3 HIS 6 - HA HIS 7 far 0 97 0 - 4.1-6.0 HB2 HIS 6 - HA HIS 7 far 0 100 0 - 4.1-6.0 HB3 HIS 7 - HA HIS 6 far 0 93 0 - 4.2-5.9 HB2 HIS 6 - HA HIS 4 far 0 91 0 - 4.5-9.3 HB3 HIS 6 - HA HIS 4 far 0 84 0 - 4.7-9.4 HB3 HIS 7 - HA HIS 4 far 0 91 0 - 5.0-13.1 HB2 HIS 8 - HA HIS 6 far 0 74 0 - 5.6-8.7 HB2 HIS 10 - HA HIS 7 far 0 83 0 - 8.1-12.9 HB3 HIS 3 - HA HIS 6 far 0 93 0 - 8.2-12.0 HB2 HIS 8 - HA HIS 4 far 0 72 0 - 9.3-15.3 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 2.2-4.1 3.9=100 H SER 60 - HB2 HIS 7 far 0 63 0 - 8.1-60.5 H HIS 10 - HB2 HIS 7 far 0 89 0 - 8.1-10.8 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 20 99 20 - 3.9-6.0 HA HIS 4 - HB2 HIS 7 far 0 99 0 - 4.3-12.9 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 6 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 0 85 0 - 3.8-7.1 HB2 HIS 6 - HB2 HIS 7 far 0 100 0 - 4.1-7.4 HB3 HIS 6 - HB2 HIS 7 far 0 97 0 - 4.4-7.7 HB2 HIS 10 - HB2 HIS 7 far 0 83 0 - 7.1-12.6 HB3 HIS 3 - HB2 HIS 7 far 0 100 0 - 8.3-17.1 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 2 assignments used, quality = 1.00: * H HIS 8 + HB2 HIS 7 OK 100 100 100 100 2.0-4.6 4.6=100 H SER 60 - HB2 HIS 7 far 0 98 0 - 8.1-60.5 Violated in 0 structures by 0.00 A. Peak 76 from cnoeabs.peaks (8.69, 3.15, 29.32 ppm; 5.95 A): 3 out of 10 assignments used, quality = 1.00: * H HIS 7 + HB3 HIS 7 OK 100 100 100 100 2.5-3.8 3.9=100 H HIS 7 + HB2 HIS 6 OK 94 94 100 100 2.2-4.6 4.4=100 H HIS 7 + HB3 HIS 6 OK 81 81 100 100 1.9-4.3 4.4=100 H HIS 7 - HB2 HIS 8 poor 11 61 85 21 3.8-7.0 ~11936=18, 6032=3 H HIS 10 - HB2 HIS 8 far 7 48 15 - 4.6-8.1 H HIS 10 - HB3 HIS 7 far 0 89 0 - 7.4-10.9 H HIS 10 - HB2 HIS 6 far 0 80 0 - 7.7-14.6 H HIS 10 - HB3 HIS 6 far 0 66 0 - 7.7-13.3 H SER 60 - HB3 HIS 7 far 0 63 0 - 8.4-61.1 H PHE 89 - HB2 HIS 8 far 0 58 0 - 9.7-52.5 Violated in 0 structures by 0.00 A. Peak 77 from cnoeabs.peaks (4.65, 3.15, 29.32 ppm; 3.43 A): 3 out of 12 assignments used, quality = 1.00: * HA HIS 7 + HB3 HIS 7 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 6 + HB2 HIS 6 OK 91 91 100 100 2.5-3.0 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 8 far 9 61 15 - 3.9-6.0 HA HIS 7 - HB3 HIS 6 far 0 81 0 - 4.1-6.0 HA HIS 7 - HB2 HIS 6 far 0 94 0 - 4.1-6.0 HA HIS 6 - HB3 HIS 7 far 0 99 0 - 4.2-5.9 HA HIS 4 - HB2 HIS 6 far 0 93 0 - 4.5-9.3 HA HIS 4 - HB3 HIS 6 far 0 79 0 - 4.7-9.4 HA HIS 4 - HB3 HIS 7 far 0 99 0 - 5.0-13.1 HA HIS 6 - HB2 HIS 8 far 0 58 0 - 5.6-8.7 HA HIS 4 - HB2 HIS 8 far 0 59 0 - 9.3-15.3 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 0 78 0 - 3.7-7.1 HB2 HIS 7 - HB2 HIS 8 far 0 61 0 - 3.8-7.1 HB2 HIS 8 - HB3 HIS 6 far 0 56 0 - 3.9-10.1 HB2 HIS 7 - HB2 HIS 6 far 0 94 0 - 4.1-7.4 HB2 HIS 8 - HB2 HIS 6 far 0 69 0 - 4.3-10.4 HB2 HIS 7 - HB3 HIS 6 far 0 81 0 - 4.4-7.7 HB2 HIS 4 - HB3 HIS 7 far 0 99 0 - 4.5-14.1 HB2 HIS 4 - HB2 HIS 6 far 0 93 0 - 5.7-9.9 HB2 HIS 4 - HB3 HIS 6 far 0 79 0 - 7.0-10.3 HB2 HIS 4 - HB2 HIS 8 far 0 59 0 - 7.5-16.2 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): 2 out of 8 assignments used, quality = 1.00: * H HIS 8 + HB3 HIS 7 OK 100 100 100 100 2.2-4.6 4.6=100 H HIS 8 + HB2 HIS 8 OK 61 61 100 100 2.2-4.0 4.0=100 H HIS 8 - HB3 HIS 6 lone 10 81 70 17 2.6-7.9 6036/72=13, 6040/1.8=1, ~87=1 H HIS 8 - HB2 HIS 6 lone 3 94 60 5 3.4-8.3 2.9/87=1, 6040=1 H SER 50 - HB2 HIS 6 far 0 94 0 - 7.9-61.5 H SER 60 - HB3 HIS 7 far 0 98 0 - 8.4-61.1 H SER 50 - HB3 HIS 6 far 0 81 0 - 9.4-62.3 H PHE 89 - HB2 HIS 8 far 0 30 0 - 9.7-52.5 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): 1 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 HB3 HIS 7 - HA HIS 8 far 4 85 5 - 3.9-5.9 HB2 HIS 7 - HA HIS 8 far 0 78 0 - 4.2-5.9 HB2 HIS 6 - HA HIS 8 far 0 81 0 - 6.0-9.3 HB2 HIS 8 - HA HIS 10 far 0 86 0 - 6.0-8.9 HB2 HIS 7 - HA HIS 10 far 0 61 0 - 8.0-11.7 HB3 HIS 7 - HA HIS 10 far 0 67 0 - 8.5-12.4 HB2 HIS 4 - HA HIS 8 far 0 63 0 - 8.6-15.4 HB2 HIS 6 - HA HIS 10 far 0 63 0 - 10.0-15.1 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 10 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 - 5.5-8.1 HD3 ARG 135 - HA HIS 8 far 0 73 0 - 7.0-58.8 HB3 HIS 4 - HA HIS 8 far 0 78 0 - 8.1-15.2 HB2 HIS 5 - HA HIS 8 far 0 78 0 - 8.3-12.5 HB3 PHE 87 - HA HIS 10 far 0 56 0 - 8.7-48.3 HD3 ARG 135 - HA HIS 10 far 0 56 0 - 8.8-51.5 HB2 PHE 87 - HA HIS 10 far 0 65 0 - 9.6-49.0 HD3 ARG 84 - HA HIS 10 far 0 77 0 - 9.8-55.6 HB3 CYS 125 - HA HIS 8 far 0 100 0 - 10.0-50.6 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 5 assignments used, quality = 1.00: * H SER 9 + HA HIS 8 OK 100 100 100 100 2.1-3.0 6045=100, 6047/2.9=37...(5) H SER 9 - HA HIS 10 far 0 86 0 - 4.6-5.5 H VAL 132 - HA HIS 8 far 0 90 0 - 7.1-54.6 H GLU 97 - HA HIS 8 far 0 96 0 - 8.9-46.2 H VAL 132 - HA HIS 10 far 0 72 0 - 9.9-47.2 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 2.2-4.0 4.0=100 H HIS 8 + HB3 HIS 7 OK 61 61 100 100 2.2-4.6 4.6=100 H SER 60 - HB3 HIS 7 far 0 57 0 - 8.4-61.1 H PHE 89 - HB2 HIS 8 far 0 60 0 - 9.7-52.5 Violated in 0 structures by 0.00 A. Peak 87 from cnoeabs.peaks (4.70, 3.13, 29.27 ppm; 4.26 A): 1 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 poor 12 61 50 41 3.9-5.9 ~6036=34, ~11936=7, ~11935=3 HA HIS 10 - HB2 HIS 8 far 0 99 0 - 6.0-8.9 HA HIS 10 - HB3 HIS 7 far 0 58 0 - 8.5-12.4 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 11 assignments used, quality = 1.00: * HB3 HIS 8 + HB2 HIS 8 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 4 - HB3 HIS 7 far 0 41 0 - 3.2-13.3 HB3 HIS 8 - HB3 HIS 7 far 0 61 0 - 4.1-7.8 HD3 ARG 135 - HB2 HIS 8 far 0 73 0 - 5.0-58.0 HB2 HIS 5 - HB3 HIS 7 far 0 41 0 - 6.1-9.7 HB3 HIS 4 - HB2 HIS 8 far 0 78 0 - 7.3-15.6 HB2 HIS 5 - HB2 HIS 8 far 0 78 0 - 7.4-12.5 HD3 ARG 135 - HB3 HIS 7 far 0 37 0 - 8.9-62.2 HB3 CYS 125 - HB3 HIS 7 far 0 60 0 - 8.9-51.9 HD2 ARG 84 - HB3 HIS 7 far 0 53 0 - 9.5-65.0 HD3 ARG 84 - HB3 HIS 7 far 0 53 0 - 9.9-66.8 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 6 assignments used, quality = 1.00: * H SER 9 + HB2 HIS 8 OK 100 100 100 100 2.1-4.5 4.6=100 H SER 9 - HB3 HIS 7 far 3 61 5 - 5.5-8.0 H VAL 132 - HB2 HIS 8 far 0 90 0 - 5.9-53.7 H GLU 97 - HB3 HIS 7 far 0 54 0 - 7.7-47.9 H LEU 100 - HB3 HIS 7 far 0 61 0 - 8.8-50.2 H VAL 132 - HB3 HIS 7 far 0 49 0 - 9.1-57.7 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 1 assignment used, quality = 1.00: * H HIS 8 + HB3 HIS 8 OK 100 100 100 100 2.9-3.8 4.0=100 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 - 5.5-8.1 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 5 assignments used, quality = 1.00: * HB2 HIS 8 + HB3 HIS 8 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 7 - HB3 HIS 8 far 0 85 0 - 4.1-7.8 HB2 HIS 7 - HB3 HIS 8 far 0 78 0 - 4.7-7.2 HB2 HIS 6 - HB3 HIS 8 far 0 81 0 - 5.7-11.3 HB2 HIS 4 - HB3 HIS 8 far 0 63 0 - 8.3-16.8 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 2 assignments used, quality = 1.00: * H SER 9 + HB3 HIS 8 OK 100 100 100 100 2.0-4.5 4.6=100 H VAL 132 - HB3 HIS 8 far 0 90 0 - 6.0-52.6 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 2 assignments used, quality = 1.00: * H SER 9 + HA SER 9 OK 100 100 100 100 2.8-2.9 3.0=100 H VAL 132 - HA SER 9 far 0 90 0 - 6.9-51.1 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 4 assignments used, quality = 1.00: HB3 SER 9 + HA SER 9 OK 100 100 100 100 2.2-3.0 3.0=100 * HB2 SER 9 + HA SER 9 OK 100 100 100 100 2.5-3.0 3.0=100 HA VAL 118 - HA SER 107 far 0 88 0 - 7.3-9.6 HA ARG 90 - HA SER 9 far 0 97 0 - 9.8-45.0 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 4 assignments used, quality = 1.00: * HB3 SER 9 + HA SER 9 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 SER 9 + HA SER 9 OK 100 100 100 100 2.5-3.0 3.0=100 HA VAL 118 - HA SER 107 far 0 89 0 - 7.3-9.6 HA ARG 90 - HA SER 9 far 0 97 0 - 9.8-45.0 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 4 assignments used, quality = 1.00: * H HIS 10 + HA SER 9 OK 100 100 100 100 2.2-2.8 6054=100, 6051/3.0=30...(6) H HIS 7 - HA SER 9 far 0 89 0 - 5.9-9.2 H HIS 7 - HA SER 107 far 0 80 0 - 9.2-57.4 H PHE 89 - HA SER 9 far 0 71 0 - 9.9-50.0 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 6 assignments used, quality = 1.00: * H SER 9 + HB2 SER 9 OK 100 100 100 100 2.1-3.8 4.0=100 H SER 9 + HB3 SER 9 OK 100 100 100 100 3.0-4.0 4.0=100 H GLU 97 - HB2 SER 9 far 0 96 0 - 7.3-42.8 H GLU 97 - HB3 SER 9 far 0 96 0 - 8.2-41.0 H VAL 132 - HB3 SER 9 far 0 90 0 - 9.4-50.1 H VAL 132 - HB2 SER 9 far 0 90 0 - 9.6-51.2 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 6 assignments used, quality = 1.00: * HA SER 9 + HB2 SER 9 OK 100 100 100 100 2.5-3.0 3.0=100 HA SER 9 + HB3 SER 9 OK 100 100 100 100 2.2-3.0 3.0=100 HA MET 11 - HB2 SER 9 far 0 60 0 - 4.4-7.5 HA MET 11 - HB3 SER 9 far 0 60 0 - 4.9-6.8 HA HIS 5 - HB2 SER 9 far 0 89 0 - 8.3-15.9 HA HIS 5 - HB3 SER 9 far 0 89 0 - 9.5-16.6 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 5 assignments used, quality = 1.00: * H HIS 10 + HB2 SER 9 OK 100 100 100 100 2.0-4.2 4.5=100 H HIS 10 + HB3 SER 9 OK 100 100 100 100 1.9-4.5 4.5=100 H HIS 7 - HB3 SER 9 far 4 89 5 - 5.4-10.8 H HIS 7 - HB2 SER 9 far 0 89 0 - 6.1-11.2 H PHE 89 - HB3 SER 9 far 0 71 0 - 9.3-48.8 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 6 assignments used, quality = 1.00: * H SER 9 + HB3 SER 9 OK 100 100 100 100 3.0-4.0 4.0=100 H SER 9 + HB2 SER 9 OK 100 100 100 100 2.1-3.8 4.0=100 H GLU 97 - HB2 SER 9 far 0 96 0 - 7.3-42.8 H GLU 97 - HB3 SER 9 far 0 96 0 - 8.2-41.0 H VAL 132 - HB3 SER 9 far 0 90 0 - 9.4-50.1 H VAL 132 - HB2 SER 9 far 0 90 0 - 9.6-51.2 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 6 assignments used, quality = 1.00: * HA SER 9 + HB3 SER 9 OK 100 100 100 100 2.2-3.0 3.0=100 HA SER 9 + HB2 SER 9 OK 100 100 100 100 2.5-3.0 3.0=100 HA MET 11 - HB2 SER 9 far 0 60 0 - 4.4-7.5 HA MET 11 - HB3 SER 9 far 0 60 0 - 4.9-6.8 HA HIS 5 - HB2 SER 9 far 0 89 0 - 8.3-15.9 HA HIS 5 - HB3 SER 9 far 0 89 0 - 9.5-16.6 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 5 assignments used, quality = 1.00: * H HIS 10 + HB3 SER 9 OK 100 100 100 100 1.9-4.5 4.5=100 H HIS 10 + HB2 SER 9 OK 100 100 100 100 2.0-4.2 4.5=100 H HIS 7 - HB3 SER 9 far 4 89 5 - 5.4-10.8 H HIS 7 - HB2 SER 9 far 0 89 0 - 6.1-11.2 H PHE 89 - HB3 SER 9 far 0 71 0 - 9.3-48.8 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 13 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 13 65 20 - 3.9-5.9 HB3 HIS 6 - HA HIS 8 far 0 82 0 - 4.7-8.6 HB2 HIS 6 - HA HIS 8 far 0 69 0 - 6.0-9.3 HB2 HIS 10 - HA HIS 8 far 0 86 0 - 6.3-9.4 HD3 ARG 90 - HA HIS 10 far 0 100 0 - 6.9-40.3 HD2 ARG 23 - HA HIS 10 far 0 99 0 - 7.6-34.0 HD3 ARG 23 - HA HIS 10 far 0 99 0 - 8.2-35.2 HD2 ARG 90 - HA HIS 10 far 0 100 0 - 8.3-40.6 HB3 HIS 7 - HA HIS 10 far 0 83 0 - 8.5-12.4 HB3 HIS 6 - HA HIS 10 far 0 98 0 - 9.8-14.6 HD3 ARG 84 - HA HIS 10 far 0 76 0 - 9.8-55.6 HB2 HIS 6 - HA HIS 10 far 0 87 0 - 10.0-15.1 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 10 assignments used, quality = 1.00: * HB3 HIS 10 + HA HIS 10 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 135 - HA HIS 8 far 0 63 0 - 7.0-58.8 HB3 HIS 10 - HA HIS 8 far 0 86 0 - 7.2-9.5 HB3 HIS 4 - HA HIS 8 far 0 59 0 - 8.1-15.2 HB2 HIS 5 - HA HIS 8 far 0 59 0 - 8.3-12.5 HB3 PHE 87 - HA HIS 10 far 0 81 0 - 8.7-48.3 HD3 ARG 135 - HA HIS 10 far 0 81 0 - 8.8-51.5 HA VAL 93 - HA HIS 8 far 0 85 0 - 9.1-47.6 HB2 PHE 87 - HA HIS 10 far 0 71 0 - 9.6-49.0 HA VAL 93 - HA HIS 10 far 0 100 0 - 9.8-40.6 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 6 assignments used, quality = 1.00: * H MET 11 + HA HIS 10 OK 100 100 100 100 2.1-3.1 6063=100, 6065/3.0=40...(6) H MET 11 - HA HIS 8 far 0 86 0 - 4.4-9.8 H ASN 13 - HA HIS 10 far 0 73 0 - 5.9-9.4 H VAL 93 - HA HIS 10 far 0 78 0 - 7.9-41.1 H VAL 93 - HA HIS 8 far 0 61 0 - 8.0-48.4 H ASN 13 - HA HIS 8 far 0 56 0 - 9.2-16.1 Violated in 0 structures by 0.00 A. Peak 116 from cnoeabs.peaks (8.71, 3.17, 28.77 ppm; 4.12 A): 3 out of 7 assignments used, quality = 1.00: * H HIS 10 + HB2 HIS 10 OK 100 100 100 100 2.2-3.5 4.0=100 H HIS 7 + HB3 HIS 6 OK 37 42 100 88 1.9-4.3 4.4=83, 6030/3.0=29 H HIS 7 + HB2 HIS 6 OK 23 26 100 89 2.2-4.6 4.4=83, 6030/3.0=29...(5) H HIS 10 - HB2 HIS 6 far 0 33 0 - 7.7-14.6 H HIS 10 - HB3 HIS 6 far 0 53 0 - 7.7-13.3 H HIS 7 - HB2 HIS 10 far 0 89 0 - 8.7-13.2 H PHE 89 - HB2 HIS 10 far 0 71 0 - 9.8-46.3 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 6 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 - 4.7-8.6 HA HIS 8 - HB2 HIS 6 far 0 31 0 - 6.0-9.3 HA HIS 8 - HB2 HIS 10 far 0 99 0 - 6.3-9.4 HA HIS 10 - HB3 HIS 6 far 0 53 0 - 9.8-14.6 HA HIS 10 - HB2 HIS 6 far 0 33 0 - 10.0-15.1 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 12 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 - HB2 HIS 6 far 0 20 0 - 3.4-7.4 HB3 HIS 4 - HB2 HIS 6 far 0 20 0 - 4.3-9.4 HB2 HIS 5 - HB3 HIS 6 far 0 34 0 - 4.4-7.7 HB3 HIS 4 - HB3 HIS 6 far 0 34 0 - 5.7-9.8 HD3 ARG 135 - HB3 HIS 6 far 0 36 0 - 6.4-64.1 HD3 ARG 135 - HB2 HIS 6 far 0 22 0 - 8.0-64.7 HB3 PHE 87 - HB2 HIS 10 far 0 81 0 - 8.4-48.9 HB3 HIS 4 - HB2 HIS 10 far 0 76 0 - 8.7-22.1 HB3 HIS 10 - HB2 HIS 6 far 0 33 0 - 9.0-16.9 HB2 PHE 87 - HB2 HIS 10 far 0 71 0 - 9.4-49.6 HD3 ARG 135 - HB2 HIS 10 far 0 81 0 - 9.7-51.6 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 4.1-4.2 4.7=100 H ASN 13 - HB2 HIS 10 far 4 73 5 - 5.3-10.8 H MET 11 - HB2 HIS 6 far 0 33 0 - 8.1-17.3 H MET 11 - HB3 HIS 6 far 0 53 0 - 8.4-16.6 H VAL 93 - HB2 HIS 10 far 0 78 0 - 8.8-41.4 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 3 assignments used, quality = 1.00: * H HIS 10 + HB3 HIS 10 OK 100 100 100 100 2.2-4.0 4.0=100 H PHE 89 - HB3 HIS 10 far 0 71 0 - 8.3-44.7 H HIS 7 - HB3 HIS 10 far 0 89 0 - 9.3-14.6 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 - 7.2-9.5 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 8 assignments used, quality = 1.00: * HB2 HIS 10 + HB3 HIS 10 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 ARG 23 - HB3 HIS 10 far 0 99 0 - 6.1-33.9 HD3 ARG 23 - HB3 HIS 10 far 0 99 0 - 7.3-34.9 HB3 HIS 7 - HB3 HIS 10 far 0 83 0 - 7.8-14.2 HB3 HIS 3 - HB3 HIS 10 far 0 83 0 - 8.5-26.5 HD3 ARG 90 - HB3 HIS 10 far 0 100 0 - 8.7-39.3 HB2 HIS 6 - HB3 HIS 10 far 0 87 0 - 9.0-16.9 HD2 ARG 90 - HB3 HIS 10 far 0 100 0 - 9.8-39.5 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 3.3-4.0 6065=100, 6063/3.0=93...(4) H ASN 13 - HB3 HIS 10 far 0 73 0 - 6.7-9.7 H VAL 93 - HB3 HIS 10 far 0 78 0 - 7.7-39.7 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 3 assignments used, quality = 1.00: * H MET 11 + HA MET 11 OK 100 100 100 100 2.8-2.9 2.9=100 H ASN 13 - HA MET 11 far 4 73 5 - 3.2-6.5 H VAL 93 - HA MET 11 far 0 78 0 - 9.9-39.2 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 ARG 84 - HA MET 11 far 0 85 0 - 5.0-51.4 HB3 ARG 90 - HA MET 11 far 0 63 0 - 6.3-38.7 HB2 ARG 135 - HA HIS 5 far 0 48 0 - 6.7-70.2 HB2 ARG 90 - HA MET 11 far 0 97 0 - 7.3-40.5 HB3 LYS 95 - HA HIS 5 far 0 54 0 - 8.8-56.0 HB2 LYS 95 - HA MET 11 far 0 93 0 - 9.0-40.6 HB3 LYS 95 - HA MET 11 far 0 89 0 - 9.2-41.4 Violated in 0 structures by 0.00 A. Peak 129 from cnoeabs.peaks (2.02, 4.42, 55.13 ppm; 3.20 A): 1 out of 12 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 far 4 87 5 - 3.3-4.7 HB3 GLU 91 - HA MET 11 far 0 97 0 - 3.9-42.2 HB2 GLN 134 - HA HIS 5 far 0 68 0 - 4.2-67.7 HB2 GLU 91 - HA MET 11 far 0 63 0 - 4.2-42.6 HB3 PRO 117 - HA HIS 5 far 0 59 0 - 4.9-59.8 HG3 PRO 117 - HA HIS 5 far 0 36 0 - 6.9-60.1 HB VAL 20 - HA MET 11 far 0 81 0 - 6.9-25.6 HG3 ARG 135 - HA HIS 5 far 0 63 0 - 7.9-67.8 QE MET 11 - HA HIS 5 far 0 53 0 - 8.4-19.2 HG2 ARG 90 - HA MET 11 far 0 100 0 - 8.8-40.3 HB3 LEU 53 - HA HIS 5 far 0 34 0 - 9.9-61.1 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 3 assignments used, quality = 1.00: * HG2 MET 11 + HA MET 11 OK 100 100 100 100 2.5-3.8 4.0=100 HG3 GLN 127 - HA HIS 5 far 0 48 0 - 8.1-61.7 HG2 GLN 82 - HA MET 11 far 0 68 0 - 9.7-51.5 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 2 assignments used, quality = 1.00: * HG3 MET 11 + HA MET 11 OK 100 100 100 100 2.1-4.1 4.0=100 HG3 GLU 102 - HA HIS 5 far 0 68 0 - 8.8-53.1 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 5 assignments used, quality = 1.00: * H ALA 12 + HA MET 11 OK 100 100 100 100 2.3-2.6 6074=100, 6076/3.0=33...(6) H ASN 13 - HA MET 11 far 5 99 5 - 3.2-6.5 H VAL 132 - HA HIS 5 far 0 36 0 - 8.0-64.1 H ASP 47 - HA HIS 5 far 0 60 0 - 8.3-61.3 H VAL 93 - HA MET 11 far 0 97 0 - 9.9-39.2 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 4 assignments used, quality = 1.00: * H MET 11 + HB2 MET 11 OK 100 100 100 100 2.1-2.9 4.0=100 H ASN 13 - HB2 MET 11 far 0 73 0 - 5.1-7.0 H VAL 93 - HB2 MET 11 far 0 78 0 - 7.8-41.5 H SER 74 - HB2 MET 11 far 0 99 0 - 9.0-36.4 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 2 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 - 5.3-8.7 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): 1 out of 7 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 poor 12 87 25 57 3.0-4.2 11791/2.9=26, 4.2=21...(6) HB3 GLU 91 - HB2 MET 11 far 0 97 0 - 4.2-42.8 HB2 GLU 91 - HB2 MET 11 far 0 63 0 - 5.3-42.5 HG2 ARG 90 - HB2 MET 11 far 0 100 0 - 6.1-39.9 HB VAL 20 - HB2 MET 11 far 0 81 0 - 6.8-25.4 HG3 ARG 135 - HB2 MET 11 far 0 97 0 - 9.8-49.4 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 2.2-2.8 2.9=100 HG2 GLN 82 - HB2 MET 11 far 0 68 0 - 9.2-51.0 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 1 assignment used, quality = 1.00: * HG3 MET 11 + HB2 MET 11 OK 100 100 100 100 2.2-3.0 2.9=100 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 4 assignments used, quality = 1.00: * H ALA 12 + HB2 MET 11 OK 100 100 100 100 3.2-3.8 6075=100, 6076/1.8=93...(8) H ASN 13 - HB2 MET 11 far 0 99 0 - 5.1-7.0 H VAL 93 - HB2 MET 11 far 0 97 0 - 7.8-41.5 H VAL 132 - HB2 MET 11 far 0 63 0 - 10.0-48.4 Violated in 0 structures by 0.00 A. Peak 140 from cnoeabs.peaks (8.41, 2.02, 32.84 ppm; 4.38 A): 1 out of 4 assignments used, quality = 1.00: * H MET 11 + HB3 MET 11 OK 100 100 100 100 3.2-3.7 4.0=100 H ASN 13 - HB3 MET 11 far 4 73 5 - 4.5-5.3 H VAL 93 - HB3 MET 11 far 0 78 0 - 8.2-41.2 H SER 74 - HB3 MET 11 far 0 99 0 - 9.5-35.9 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 2 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 - 7.0-9.5 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 7 assignments used, quality = 1.00: * HB2 MET 11 + HB3 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 84 - HB3 MET 11 far 0 85 0 - 3.9-49.5 HB3 ARG 90 - HB3 MET 11 far 0 63 0 - 5.1-37.6 HB2 ARG 90 - HB3 MET 11 far 0 97 0 - 6.3-38.8 HB2 LYS 95 - HB3 MET 11 far 0 93 0 - 7.4-42.8 HB3 LYS 95 - HB3 MET 11 far 0 89 0 - 7.9-43.5 HB2 ARG 135 - HB3 MET 11 far 0 81 0 - 8.2-51.4 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 3 assignments used, quality = 1.00: * HG2 MET 11 + HB3 MET 11 OK 100 100 100 100 2.8-3.0 2.9=100 HG2 GLN 82 - HB3 MET 11 far 0 68 0 - 7.7-49.5 HG3 GLN 82 - HB3 MET 11 far 0 89 0 - 9.2-49.1 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 1 assignment used, quality = 1.00: * HG3 MET 11 + HB3 MET 11 OK 100 100 100 100 2.2-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 146 from cnoeabs.peaks (8.44, 2.02, 32.84 ppm; 4.26 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 12 + HB3 MET 11 OK 100 100 100 100 2.2-2.6 6076=100, 6074/3.0=89...(9) H ASN 13 - HB3 MET 11 far 5 99 5 - 4.5-5.3 H VAL 93 - HB3 MET 11 far 0 97 0 - 8.2-41.2 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 2.5-3.8 4.0=100 HA SER 9 - HG2 MET 11 far 3 60 5 - 4.9-8.7 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 7 assignments used, quality = 1.00: * HB2 MET 11 + HG2 MET 11 OK 100 100 100 100 2.2-2.8 2.9=100 HB3 ARG 84 - HG2 MET 11 far 0 85 0 - 4.7-51.9 HB3 ARG 90 - HG2 MET 11 far 0 63 0 - 5.2-39.1 HB2 ARG 90 - HG2 MET 11 far 0 97 0 - 6.8-40.9 HB2 LYS 95 - HG2 MET 11 far 0 93 0 - 8.3-42.7 HB3 LYS 95 - HG2 MET 11 far 0 89 0 - 8.8-43.3 HB2 ARG 135 - HG2 MET 11 far 0 81 0 - 9.9-52.3 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 6 assignments used, quality = 1.00: * HB3 MET 11 + HG2 MET 11 OK 100 100 100 100 2.8-3.0 2.9=100 QE MET 11 + HG2 MET 11 OK 87 87 100 100 2.0-3.2 3.3=100 HB3 GLU 91 - HG2 MET 11 far 0 97 0 - 6.3-42.9 HB2 GLU 91 - HG2 MET 11 far 0 63 0 - 7.4-43.2 HG2 ARG 90 - HG2 MET 11 far 0 100 0 - 7.7-40.8 HB VAL 20 - HG2 MET 11 far 0 81 0 - 8.7-26.0 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 1 assignment used, quality = 1.00: * HG3 MET 11 + HG2 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 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 2.6-4.3 6070=100, 6069/1.8=97...(10) H ASN 13 - HG3 MET 11 poor 15 73 20 - 4.5-7.7 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 2.1-4.1 4.0=100 HA SER 9 - HG3 MET 11 far 3 60 5 - 5.0-9.7 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 7 assignments used, quality = 1.00: * HB2 MET 11 + HG3 MET 11 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 ARG 84 - HG3 MET 11 far 4 85 5 - 3.0-51.1 HB3 ARG 90 - HG3 MET 11 far 0 63 0 - 6.5-38.3 HB2 ARG 90 - HG3 MET 11 far 0 97 0 - 8.0-40.1 HB2 LYS 95 - HG3 MET 11 far 0 93 0 - 8.4-43.0 HB3 LYS 95 - HG3 MET 11 far 0 89 0 - 8.6-43.7 HB2 ARG 135 - HG3 MET 11 far 0 81 0 - 8.9-51.8 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 7 assignments used, quality = 1.00: * HB3 MET 11 + HG3 MET 11 OK 100 100 100 100 2.2-2.8 2.9=100 QE MET 11 + HG3 MET 11 OK 87 87 100 100 2.0-3.2 3.3=100 HB3 GLU 91 - HG3 MET 11 far 0 97 0 - 5.5-43.1 HB2 GLU 91 - HG3 MET 11 far 0 63 0 - 7.0-42.8 HB VAL 20 - HG3 MET 11 far 0 81 0 - 8.7-25.0 HG2 ARG 90 - HG3 MET 11 far 0 100 0 - 8.9-40.0 HG3 ARG 135 - HG3 MET 11 far 0 97 0 - 9.0-49.2 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 3 assignments used, quality = 1.00: * HG2 MET 11 + HG3 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 82 - HG3 MET 11 far 0 68 0 - 8.0-51.3 HG3 GLN 82 - HG3 MET 11 far 0 89 0 - 9.3-50.9 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 10 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 2.1-3.0 6084=98, 6085/2.1=54, ~169=3 H ASN 13 - HA ALA 15 far 0 96 0 - 5.4-9.2 H ASN 116 - HA ALA 109 far 0 95 0 - 6.9-8.5 H ALA 12 - HA ALA 16 far 0 85 0 - 7.0-15.8 H ALA 12 - HA ALA 15 far 0 99 0 - 7.1-12.3 H LEU 70 - HA ALA 15 far 0 77 0 - 8.0-40.8 H VAL 93 - HA ALA 12 far 0 97 0 - 8.1-37.9 H ASN 13 - HA ALA 16 far 0 82 0 - 8.7-12.8 H ALA 34 - HA ALA 15 far 0 91 0 - 9.1-31.3 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 31 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 HG2 LYS 24 - HA ALA 21 far 0 80 0 - 3.3-8.9 HG2 LYS 19 - HA ALA 16 far 0 84 0 - 3.4-8.5 QB ALA 108 - HA ALA 109 far 0 63 0 - 3.7-4.2 QB ALA 15 - HA ALA 16 far 0 58 0 - 3.7-4.4 QB ALA 110 - HA ALA 109 far 0 68 0 - 3.7-4.0 QB ALA 109 - HA ALA 110 far 0 38 0 - 4.1-4.7 QB ALA 110 - HA ALA 108 far 0 38 0 - 4.2-5.9 QB ALA 15 - HA ALA 12 far 0 76 0 - 4.2-9.9 QB ALA 12 - HA ALA 15 far 0 99 0 - 4.3-10.0 QB ALA 21 - HA ALA 16 far 0 68 0 - 4.4-7.9 QB ALA 109 - HA ALA 108 far 0 29 0 - 4.5-4.9 HG2 LYS 19 - HA ALA 15 far 0 98 0 - 5.5-11.6 QB ALA 108 - HA ALA 110 far 0 46 0 - 5.6-6.9 QB ALA 12 - HA ALA 16 far 0 85 0 - 5.7-12.5 HG2 LYS 19 - HA ALA 21 far 0 98 0 - 6.3-6.9 QB ALA 28 - HA ALA 21 far 0 70 0 - 6.6-18.3 HG2 LYS 19 - HA ALA 12 far 0 100 0 - 7.0-21.6 QB ALA 21 - HA ALA 15 far 0 83 0 - 7.2-10.4 QB ALA 15 - HA ALA 21 far 0 73 0 - 7.7-12.8 HG2 LYS 95 - HA ALA 12 far 0 63 0 - 8.8-41.2 HG3 LYS 26 - HA ALA 21 far 0 75 0 - 8.9-15.7 HG3 LYS 95 - HA ALA 12 far 0 68 0 - 9.2-39.5 HG2 LYS 95 - HA ALA 15 far 0 60 0 - 9.4-49.0 QB ALA 21 - HA ALA 12 far 0 87 0 - 9.6-18.6 QB ALA 12 - HA ALA 21 far 0 99 0 - 10.0-19.8 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 14 assignments used, quality = 1.00: * H ASN 13 + HA ALA 12 OK 100 100 100 100 2.1-3.0 6084=100, 6085/2.1=56, ~169=3 H ALA 12 + HA ALA 12 OK 99 99 100 100 2.3-2.9 3.0=100 H MET 11 - HA ALA 12 far 0 73 0 - 4.8-6.4 H SER 74 - HA ALA 15 far 0 54 0 - 5.0-38.1 H ASN 13 - HA ALA 15 far 0 99 0 - 5.4-9.2 H SER 74 - HA ALA 16 far 0 42 0 - 6.5-38.2 H ASN 116 - HA ALA 109 far 0 91 0 - 6.9-8.5 H ALA 12 - HA ALA 16 far 0 82 0 - 7.0-15.8 H ALA 12 - HA ALA 15 far 0 96 0 - 7.1-12.3 H LEU 70 - HA ALA 15 far 0 57 0 - 8.0-40.8 H VAL 93 - HA ALA 12 far 0 100 0 - 8.1-37.9 H ASN 13 - HA ALA 16 far 0 85 0 - 8.7-12.8 H ALA 34 - HA ALA 15 far 0 98 0 - 9.1-31.3 H MET 11 - HA ALA 21 far 0 70 0 - 9.1-28.6 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 8 assignments used, quality = 1.00: * H ALA 12 + QB ALA 12 OK 100 100 100 100 2.2-2.9 2.9=100 H ASN 13 + QB ALA 12 OK 98 99 100 100 2.8-3.6 6085=98, 6084/2.1=77...(7) H VAL 93 - QB ALA 12 far 0 97 0 - 7.0-30.7 H ALA 34 - QB ALA 12 far 0 95 0 - 7.7-31.8 H ALA 12 - QB ALA 21 far 0 60 0 - 8.1-19.2 H ASN 13 - QB ALA 21 far 0 57 0 - 8.6-17.2 H VAL 132 - QB ALA 12 far 0 63 0 - 9.2-36.0 H LEU 70 - QB ALA 12 far 0 81 0 - 9.7-30.2 Violated in 0 structures by 0.00 A. Peak 166 from cnoeabs.peaks (4.28, 1.36, 18.84 ppm; 2.50 A): 3 out of 23 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 THR 18 + QB ALA 21 OK 23 58 100 41 1.9-2.6 10686=24, 6180/2.9=10...(4) HA LEU 22 - QB ALA 21 far 0 47 0 - 3.7-4.3 HA LYS 19 - QB ALA 21 far 0 46 0 - 4.3-5.3 HA ALA 15 - QB ALA 12 far 0 100 0 - 4.3-10.0 HA ALA 16 - QB ALA 21 far 0 56 0 - 4.4-7.9 HA PHE 87 - QB ALA 12 far 0 83 0 - 4.9-33.4 HA THR 25 - QB ALA 21 far 0 58 0 - 5.0-11.1 HA ALA 16 - QB ALA 12 far 0 98 0 - 5.7-12.5 HA LYS 31 - QB ALA 12 far 0 99 0 - 6.2-33.7 HA ARG 23 - QB ALA 21 far 0 60 0 - 6.2-6.8 HA THR 18 - QB ALA 12 far 0 99 0 - 7.0-17.2 HA PHE 87 - QB ALA 21 far 0 43 0 - 7.1-28.7 HA ALA 15 - QB ALA 21 far 0 60 0 - 7.2-10.4 HA LYS 26 - QB ALA 21 far 0 49 0 - 7.4-12.0 HA SER 74 - QB ALA 21 far 0 58 0 - 7.9-24.5 HA SER 74 - QB ALA 12 far 0 99 0 - 8.1-27.1 HA LYS 31 - QB ALA 21 far 0 57 0 - 8.4-21.0 HA TYR 76 - QB ALA 21 far 0 32 0 - 8.9-24.4 HA LYS 19 - QB ALA 12 far 0 87 0 - 9.1-20.2 HA ALA 12 - QB ALA 21 far 0 60 0 - 9.6-18.6 HA ALA 21 - QB ALA 12 far 0 100 0 - 10.0-19.8 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 10 assignments used, quality = 1.00: * H ASN 13 + QB ALA 12 OK 100 100 100 100 2.8-3.6 6085=100, 6084/2.1=79...(7) H ALA 12 + QB ALA 12 OK 99 99 100 100 2.2-2.9 2.9=100 H MET 11 - QB ALA 12 far 0 73 0 - 4.8-5.8 H VAL 93 - QB ALA 12 far 0 100 0 - 7.0-30.7 H MET 11 - QB ALA 21 far 0 37 0 - 7.1-22.3 H ALA 34 - QB ALA 12 far 0 100 0 - 7.7-31.8 H ALA 12 - QB ALA 21 far 0 57 0 - 8.1-19.2 H SER 74 - QB ALA 12 far 0 57 0 - 8.3-28.3 H ASN 13 - QB ALA 21 far 0 60 0 - 8.6-17.2 H LEU 70 - QB ALA 12 far 0 60 0 - 9.7-30.2 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 6 assignments used, quality = 1.00: * H ASN 13 + HA ASN 13 OK 100 100 100 100 2.8-2.9 3.0=100 H ALA 12 + HA ASN 13 OK 35 99 40 88 4.4-5.5 ~6084=32, ~6085=31...(10) H MET 11 - HA ASN 13 far 0 73 0 - 7.2-9.3 H VAL 93 - HA ASN 13 far 0 100 0 - 7.3-41.7 H LEU 70 - HA ASN 13 far 0 60 0 - 9.2-37.9 H SER 74 - HA ASN 13 far 0 57 0 - 9.5-35.7 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 3 assignments used, quality = 1.00: * HB2 ASN 13 + HA ASN 13 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 ASP 71 - HA ASN 13 far 0 100 0 - 6.4-34.9 HB3 ASN 85 - HA ASN 13 far 0 99 0 - 8.4-44.5 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 1 assignment used, quality = 1.00: * HB3 ASN 13 + HA ASN 13 OK 100 100 100 100 2.5-3.0 3.0=100 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 3 assignments used, quality = 1.00: * H GLY 14 + HA ASN 13 OK 100 100 100 100 2.1-3.0 6106=100, 6107/3.0=36...(4) H LYS 86 - HA ASN 13 far 0 68 0 - 7.7-43.0 H LYS 19 - HA ASN 13 far 0 89 0 - 9.1-17.4 Violated in 0 structures by 0.00 A. Peak 176 from cnoeabs.peaks (8.44, 2.81, 38.79 ppm; 3.72 A): 1 out of 5 assignments used, quality = 0.99: * H ASN 13 + HB2 ASN 13 OK 99 100 100 99 3.5-3.8 6087=93, 6088/1.8=83...(4) H ALA 12 - HB2 ASN 13 far 0 99 0 - 5.9-7.2 H VAL 93 - HB2 ASN 13 far 0 100 0 - 6.7-41.8 H MET 11 - HB2 ASN 13 far 0 73 0 - 6.9-10.7 H LEU 70 - HB2 ASN 13 far 0 60 0 - 9.2-37.6 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 2.3-2.8 3.0=100 HA HIS 7 - HB2 ASN 13 far 0 97 0 - 9.5-22.6 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 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 180 from cnoeabs.peaks (7.60, 2.81, 38.79 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * HD21 ASN 13 + HB2 ASN 13 OK 100 100 100 100 2.7-4.1 3.5=100 H VAL 105 - HB2 ASN 13 far 0 78 0 - 9.8-40.6 H ASP 78 - HB2 ASN 13 far 0 93 0 - 9.9-35.1 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 1 assignment used, quality = 1.00: * HD22 ASN 13 + HB2 ASN 13 OK 100 100 100 100 3.3-4.1 3.5=100 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 3 assignments used, quality = 1.00: * H GLY 14 + HB2 ASN 13 OK 100 100 100 100 2.0-4.5 4.5=100 H LYS 19 - HB2 ASN 13 far 0 89 0 - 7.1-16.5 H LYS 86 - HB2 ASN 13 far 0 68 0 - 8.8-43.1 Violated in 0 structures by 0.00 A. Peak 183 from cnoeabs.peaks (8.44, 2.77, 38.79 ppm; 4.00 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 13 + HB3 ASN 13 OK 100 100 100 100 2.2-2.9 6088=100, 176/1.8=82...(4) H ALA 12 - HB3 ASN 13 far 5 99 5 - 4.4-6.9 H MET 11 - HB3 ASN 13 far 0 73 0 - 5.3-10.3 H VAL 93 - HB3 ASN 13 far 0 100 0 - 6.8-40.5 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 2.5-3.0 3.0=100 HA HIS 7 - HB3 ASN 13 far 0 97 0 - 9.8-21.9 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 3 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 71 - HB3 ASN 13 far 0 100 0 - 8.5-33.5 HB3 ASN 85 - HB3 ASN 13 far 0 99 0 - 9.9-43.5 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 2 assignments used, quality = 1.00: * HD21 ASN 13 + HB3 ASN 13 OK 100 100 100 100 2.3-3.7 3.5=100 H ASP 78 - HB3 ASN 13 far 0 93 0 - 8.9-34.0 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 1 assignment used, quality = 1.00: * HD22 ASN 13 + HB3 ASN 13 OK 100 100 100 100 2.1-4.1 3.5=100 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 3 assignments used, quality = 1.00: * H GLY 14 + HB3 ASN 13 OK 100 100 100 100 2.7-4.5 4.5=100 H LYS 19 - HB3 ASN 13 far 4 89 5 - 6.2-17.5 H LYS 86 - HB3 ASN 13 far 0 68 0 - 9.7-42.1 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 6 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 2.4-3.0 3.0=100 H LYS 86 - HA3 GLY 14 far 0 68 0 - 9.0-42.3 H LYS 19 - HA3 GLY 14 far 0 89 0 - 9.3-14.6 H LYS 86 - HA2 GLY 14 far 0 68 0 - 9.4-41.1 H LYS 19 - HA2 GLY 14 far 0 89 0 - 9.9-13.9 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 8 assignments used, quality = 1.00: * H ALA 15 + HA2 GLY 14 OK 100 100 100 100 2.1-3.4 3.6=100 H ALA 15 + HA3 GLY 14 OK 100 100 100 100 3.0-3.6 3.6=100 H GLU 91 - HA3 GLY 14 far 0 89 0 - 7.4-41.7 H GLU 91 - HA2 GLY 14 far 0 89 0 - 7.5-40.6 H ASP 71 - HA2 GLY 14 far 0 100 0 - 7.7-35.0 H PHE 87 - HA2 GLY 14 far 0 68 0 - 7.8-40.9 H ASP 71 - HA3 GLY 14 far 0 100 0 - 8.6-36.4 H PHE 87 - HA3 GLY 14 far 0 68 0 - 8.9-42.0 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 6 assignments used, quality = 1.00: * H GLY 14 + HA3 GLY 14 OK 100 100 100 100 2.4-3.0 3.0=100 H GLY 14 + HA2 GLY 14 OK 100 100 100 100 2.3-3.0 3.0=100 H LYS 86 - HA3 GLY 14 far 0 68 0 - 9.0-42.3 H LYS 19 - HA3 GLY 14 far 0 89 0 - 9.3-14.6 H LYS 86 - HA2 GLY 14 far 0 68 0 - 9.4-41.1 H LYS 19 - HA2 GLY 14 far 0 89 0 - 9.9-13.9 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 8 assignments used, quality = 1.00: * H ALA 15 + HA3 GLY 14 OK 100 100 100 100 3.0-3.6 3.6=100 H ALA 15 + HA2 GLY 14 OK 100 100 100 100 2.1-3.4 3.6=100 H GLU 91 - HA3 GLY 14 far 0 89 0 - 7.4-41.7 H GLU 91 - HA2 GLY 14 far 0 89 0 - 7.5-40.6 H ASP 71 - HA2 GLY 14 far 0 100 0 - 7.7-35.0 H PHE 87 - HA2 GLY 14 far 0 68 0 - 7.8-40.9 H ASP 71 - HA3 GLY 14 far 0 100 0 - 8.6-36.4 H PHE 87 - HA3 GLY 14 far 0 68 0 - 8.9-42.0 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 14 assignments used, quality = 1.00: * H ALA 15 + HA ALA 15 OK 100 100 100 100 2.8-2.9 3.0=100 H LEU 22 + HA ALA 21 OK 87 96 100 91 3.0-3.6 3.6=60, 367/2.1=56...(5) H ALA 15 - HA ALA 12 far 0 99 0 - 4.5-9.5 H ALA 15 - HA ALA 16 far 0 93 0 - 4.6-6.3 H GLU 91 - HA ALA 12 far 0 85 0 - 5.5-37.9 H ASP 71 - HA ALA 15 far 0 100 0 - 5.9-38.2 H LEU 22 - HA ALA 16 far 0 91 0 - 6.9-12.2 H PHE 87 - HA ALA 12 far 0 65 0 - 8.5-42.1 H ALA 15 - HA ALA 21 far 0 97 0 - 8.6-16.1 H PHE 87 - HA ALA 16 far 0 58 0 - 8.7-43.5 H GLU 91 - HA ALA 15 far 0 89 0 - 8.9-44.3 H ASP 71 - HA ALA 16 far 0 91 0 - 9.4-38.8 H PHE 87 - HA ALA 21 far 0 63 0 - 9.5-34.3 H PHE 87 - HA ALA 15 far 0 68 0 - 9.8-44.4 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): 6 out of 34 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 HG2 LYS 24 - HA ALA 21 far 5 97 5 - 3.3-8.9 HG2 LYS 19 - HA ALA 16 far 0 76 0 - 3.4-8.5 QB ALA 108 - HA ALA 109 far 0 90 0 - 3.7-4.2 QB ALA 16 - HA ALA 15 far 0 78 0 - 3.7-4.5 QB ALA 15 - HA ALA 16 far 0 93 0 - 3.7-4.4 QB ALA 110 - HA ALA 109 far 0 90 0 - 3.7-4.0 QB ALA 109 - HA ALA 110 far 0 90 0 - 4.1-4.7 QB ALA 110 - HA ALA 108 far 0 78 0 - 4.2-5.9 QB ALA 15 - HA ALA 12 far 0 99 0 - 4.2-9.9 QB ALA 12 - HA ALA 15 far 0 76 0 - 4.3-10.0 QB ALA 109 - HA ALA 108 far 0 76 0 - 4.5-4.9 QB ALA 16 - HA ALA 21 far 0 73 0 - 5.1-10.0 HG2 LYS 19 - HA ALA 15 far 0 87 0 - 5.5-11.6 QB ALA 108 - HA ALA 110 far 0 91 0 - 5.6-6.9 QB ALA 12 - HA ALA 16 far 0 65 0 - 5.7-12.5 HG3 LYS 31 - HA ALA 21 far 0 95 0 - 6.0-24.0 HG2 LYS 19 - HA ALA 21 far 0 81 0 - 6.3-6.9 QB ALA 28 - HA ALA 21 far 0 97 0 - 6.6-18.3 HG3 LYS 31 - HA ALA 12 far 0 96 0 - 6.9-38.6 HG2 LYS 19 - HA ALA 12 far 0 83 0 - 7.0-21.6 QB ALA 15 - HA ALA 21 far 0 97 0 - 7.7-12.8 QB ALA 16 - HA ALA 12 far 0 75 0 - 7.9-12.9 HG2 LYS 95 - HA ALA 12 far 0 98 0 - 8.8-41.2 HG3 LYS 26 - HA ALA 21 far 0 97 0 - 8.9-15.7 HG3 LYS 95 - HA ALA 12 far 0 98 0 - 9.2-39.5 HG2 LYS 95 - HA ALA 15 far 0 100 0 - 9.4-49.0 HG3 LYS 31 - HA ALA 16 far 0 90 0 - 9.4-28.3 QB ALA 12 - HA ALA 21 far 0 70 0 - 10.0-19.8 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 10 assignments used, quality = 1.00: * H ALA 16 + HA ALA 15 OK 100 100 100 100 2.1-2.9 3.6=100 H ALA 16 + HA ALA 16 OK 93 93 100 100 2.3-2.9 3.0=100 H CYS 79 - HA ALA 21 far 0 89 0 - 5.9-27.3 H TYR 76 - HA ALA 15 far 0 95 0 - 7.6-37.5 H ALA 16 - HA ALA 12 far 0 99 0 - 7.7-13.3 H ALA 16 - HA ALA 21 far 0 97 0 - 8.3-12.0 H VAL 57 - HA ALA 110 far 0 62 0 - 8.4-10.1 H TYR 76 - HA ALA 16 far 0 84 0 - 9.3-37.2 H TYR 76 - HA ALA 21 far 0 89 0 - 9.4-27.9 H VAL 57 - HA ALA 109 far 0 60 0 - 9.9-11.5 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 10 assignments used, quality = 1.00: * H ALA 15 + QB ALA 15 OK 100 100 100 100 2.0-2.9 2.9=100 H ILE 32 + QB ALA 29 OK 44 100 45 98 3.8-4.4 6344/10790=61...(13) H ASP 71 - QB ALA 15 far 5 100 5 - 3.5-30.4 H ILE 32 - QB ALA 28 far 0 100 0 - 5.2-6.4 H GLU 91 - QB ALA 15 far 0 89 0 - 5.6-35.9 H LEU 22 - QB ALA 28 far 0 99 0 - 5.7-16.9 H PHE 87 - QB ALA 15 far 0 68 0 - 6.6-36.0 H LEU 22 - QB ALA 15 far 0 99 0 - 8.0-12.8 H LEU 22 - QB ALA 29 far 0 99 0 - 9.2-18.5 H ASN 121 - QB ALA 109 far 0 57 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 203 from cnoeabs.peaks (4.28, 1.38, 19.12 ppm; 2.69 A): 4 out of 40 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 ARG 23 - QB ALA 28 far 0 100 0 - 3.3-13.3 HA LEU 22 - QB ALA 28 far 0 88 0 - 3.6-16.6 HA ALA 109 - QB ALA 108 far 0 98 0 - 3.7-4.2 HA ALA 16 - QB ALA 15 far 0 98 0 - 3.7-4.4 HA ALA 109 - QB ALA 110 far 0 98 0 - 3.7-4.0 HB THR 115 - QB ALA 109 far 0 73 0 - 3.8-5.6 HA LYS 26 - QB ALA 28 far 0 90 0 - 3.8-7.7 HA ALA 110 - QB ALA 109 far 0 80 0 - 4.1-4.7 HA ALA 108 - QB ALA 110 far 0 98 0 - 4.2-5.9 HA ALA 12 - QB ALA 15 far 0 100 0 - 4.2-9.9 HA SER 74 - QB ALA 15 far 0 99 0 - 4.4-29.7 HA PHE 87 - QB ALA 15 far 0 83 0 - 4.5-35.2 HA ALA 108 - QB ALA 109 far 0 76 0 - 4.5-4.9 HA LYS 36 - QB ALA 29 far 0 97 0 - 5.2-8.8 HA THR 18 - QB ALA 15 far 0 99 0 - 5.3-9.1 HA THR 25 - QB ALA 29 far 0 99 0 - 5.3-11.5 HA LYS 31 - QB ALA 29 far 0 98 0 - 5.5-6.6 HA LYS 26 - QB ALA 29 far 0 89 0 - 5.6-9.5 HA THR 25 - QB ALA 28 far 0 99 0 - 5.6-10.0 HA ALA 110 - QB ALA 108 far 0 100 0 - 5.6-6.9 HA ALA 21 - QB ALA 28 far 0 99 0 - 6.6-18.3 HA LYS 31 - QB ALA 28 far 0 98 0 - 6.6-7.7 HA LYS 19 - QB ALA 15 far 0 87 0 - 6.9-12.4 HA LEU 22 - QB ALA 29 far 0 88 0 - 6.9-18.1 HB THR 115 - QB ALA 110 far 0 96 0 - 7.5-10.1 HA ALA 21 - QB ALA 15 far 0 100 0 - 7.7-12.8 HA ARG 23 - QB ALA 29 far 0 100 0 - 7.9-14.7 HB THR 115 - QB ALA 108 far 0 96 0 - 8.1-10.2 HA GLN 61 - QB ALA 110 far 0 100 0 - 8.1-10.2 HA TYR 76 - QB ALA 15 far 0 65 0 - 8.3-30.1 HA THR 18 - QB ALA 28 far 0 99 0 - 8.5-20.9 HA GLN 61 - QB ALA 109 far 0 79 0 - 8.6-10.2 HA LYS 19 - QB ALA 28 far 0 86 0 - 8.6-20.2 HA THR 25 - QB ALA 15 far 0 99 0 - 8.7-19.0 HA ARG 23 - QB ALA 15 far 0 100 0 - 8.9-15.3 HA LEU 22 - QB ALA 15 far 0 89 0 - 9.1-14.5 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 5 assignments used, quality = 1.00: * H ALA 16 + QB ALA 15 OK 100 100 100 100 1.9-3.6 3.7=100 H TYR 76 - QB ALA 15 far 0 95 0 - 6.0-29.9 H VAL 57 - QB ALA 109 far 0 51 0 - 6.6-7.9 H VAL 57 - QB ALA 110 far 0 73 0 - 8.0-9.6 H CYS 79 - QB ALA 15 far 0 95 0 - 9.0-30.0 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 10 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 82 93 100 89 2.1-2.9 3.6=83, 6124/2.1=32 H CYS 79 - HA ALA 21 far 0 64 0 - 5.9-27.3 H TYR 76 - HA ALA 15 far 0 84 0 - 7.6-37.5 H ALA 16 - HA ALA 12 far 0 85 0 - 7.7-13.3 H ALA 16 - HA ALA 21 far 0 73 0 - 8.3-12.0 H VAL 57 - HA ALA 110 far 0 61 0 - 8.4-10.1 H TYR 76 - HA ALA 16 far 0 95 0 - 9.3-37.2 H TYR 76 - HA ALA 21 far 0 64 0 - 9.4-27.9 H VAL 57 - HA ALA 109 far 0 60 0 - 9.9-11.5 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): 5 out of 34 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 HG2 LYS 24 - HA ALA 21 far 0 44 0 - 3.3-8.9 QB ALA 108 - HA ALA 109 far 0 69 0 - 3.7-4.2 QB ALA 16 - HA ALA 15 far 0 93 0 - 3.7-4.5 QB ALA 15 - HA ALA 16 far 0 78 0 - 3.7-4.4 QB ALA 110 - HA ALA 109 far 0 65 0 - 3.7-4.0 QB ALA 109 - HA ALA 110 far 0 77 0 - 4.1-4.7 QB ALA 110 - HA ALA 108 far 0 69 0 - 4.2-5.9 QB ALA 15 - HA ALA 12 far 0 60 0 - 4.2-9.9 QB ALA 109 - HA ALA 108 far 0 81 0 - 4.5-4.9 QB ALA 16 - HA ALA 21 far 0 73 0 - 5.1-10.0 QB ALA 108 - HA ALA 110 far 0 70 0 - 5.6-6.9 HG2 LYS 86 - HA ALA 21 far 0 60 0 - 5.8-30.5 HG3 LYS 31 - HA ALA 21 far 0 63 0 - 6.0-24.0 QB ALA 92 - HA ALA 12 far 0 53 0 - 6.2-34.4 QB ALA 28 - HA ALA 21 far 0 52 0 - 6.6-18.3 HG3 LYS 31 - HA ALA 12 far 0 75 0 - 6.9-38.6 QB ALA 34 - HA ALA 21 far 0 63 0 - 7.0-18.5 QB ALA 34 - HA ALA 15 far 0 83 0 - 7.2-26.9 QB ALA 15 - HA ALA 21 far 0 50 0 - 7.7-12.8 QB ALA 16 - HA ALA 12 far 0 85 0 - 7.9-12.9 HG2 LYS 95 - HA ALA 12 far 0 70 0 - 8.8-41.2 QB ALA 34 - HA ALA 16 far 0 93 0 - 8.8-26.3 HG3 LYS 26 - HA ALA 21 far 0 48 0 - 8.9-15.7 HG2 LYS 86 - HA ALA 16 far 0 90 0 - 9.0-39.8 HG3 LYS 95 - HA ALA 12 far 0 66 0 - 9.2-39.5 QB ALA 34 - HA ALA 12 far 0 75 0 - 9.2-31.0 HG2 LYS 86 - HA ALA 15 far 0 79 0 - 9.3-40.7 HG2 LYS 95 - HA ALA 15 far 0 78 0 - 9.4-49.0 HG3 LYS 31 - HA ALA 16 far 0 93 0 - 9.4-28.3 Violated in 0 structures by 0.00 A. Peak 209 from cnoeabs.peaks (8.32, 4.28, 52.57 ppm; 3.57 A): 6 out of 22 assignments used, quality = 1.00: * H GLY 17 + HA ALA 16 OK 100 100 100 100 2.1-3.6 3.6=100 H GLY 111 + HA ALA 110 OK 76 76 100 100 2.5-3.5 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 2.8-2.9 3.0=100 H GLY 111 + HA ALA 109 OK 33 75 60 74 3.5-5.6 7578/2.1=34, 4.5/7570=17...(10) H GLY 17 - HA ALA 15 far 5 93 5 - 4.1-6.2 H ALA 110 - HA ALA 108 lone 2 75 50 4 3.4-5.6 11478/11966=2, 3529/2.1=1 H ALA 21 - HA ALA 16 far 0 96 0 - 4.4-9.8 H LYS 19 - HA ALA 16 far 0 60 0 - 4.8-7.4 H GLY 17 - HA ALA 21 far 0 73 0 - 5.7-9.4 H GLY 111 - HA ALA 108 far 0 79 0 - 5.8-7.2 H LYS 19 - HA ALA 21 far 0 37 0 - 6.1-6.8 H LYS 19 - HA ALA 15 far 0 51 0 - 7.0-11.1 H TYR 72 - HA ALA 15 far 0 93 0 - 7.1-38.7 H ALA 28 - HA ALA 21 far 0 70 0 - 7.3-19.2 H LYS 86 - HA ALA 15 far 0 72 0 - 8.0-44.3 H ALA 21 - HA ALA 15 far 0 85 0 - 8.1-12.1 H GLY 17 - HA ALA 12 far 0 85 0 - 8.4-16.0 H LYS 19 - HA ALA 12 far 0 45 0 - 8.9-20.1 H ALA 21 - HA ALA 12 far 0 77 0 - 8.9-21.8 H LYS 86 - HA ALA 21 far 0 53 0 - 9.3-34.0 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 6 assignments used, quality = 1.00: * H ALA 16 + QB ALA 16 OK 100 100 100 100 2.2-2.9 2.9=100 H CYS 79 - QB ALA 34 far 7 47 15 - 4.2-6.5 H TYR 76 - QB ALA 34 far 5 47 10 - 4.6-6.4 H VAL 57 - QB ALA 109 far 0 27 0 - 6.6-7.9 H ALA 16 - QB ALA 34 far 0 54 0 - 7.6-26.5 H TYR 76 - QB ALA 16 far 0 95 0 - 9.5-32.4 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 29 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 0 98 0 - 3.7-4.5 HB THR 115 - QB ALA 109 far 0 46 0 - 3.8-5.6 HA ALA 110 - QB ALA 109 far 0 43 0 - 4.1-4.7 HA ALA 108 - QB ALA 109 far 0 46 0 - 4.5-4.9 HA THR 18 - QB ALA 16 far 0 90 0 - 4.6-7.0 HA THR 25 - QB ALA 34 far 0 45 0 - 5.1-11.1 HA ALA 21 - QB ALA 16 far 0 93 0 - 5.1-10.0 HA LYS 19 - QB ALA 16 far 0 98 0 - 6.1-9.7 HA SER 74 - QB ALA 34 far 0 45 0 - 6.2-8.8 HA LYS 26 - QB ALA 34 far 0 52 0 - 6.3-10.4 HA LYS 36 - QB ALA 34 far 0 54 0 - 6.3-6.4 HA SER 74 - QB ALA 16 far 0 92 0 - 6.5-32.4 HA ALA 21 - QB ALA 34 far 0 46 0 - 7.0-18.5 HA ARG 23 - QB ALA 34 far 0 50 0 - 7.1-14.0 HA ALA 15 - QB ALA 34 far 0 50 0 - 7.2-26.9 HA LYS 19 - QB ALA 34 far 0 50 0 - 7.7-21.5 HA LYS 31 - QB ALA 16 far 0 100 0 - 7.9-25.4 HA ALA 12 - QB ALA 16 far 0 98 0 - 7.9-12.9 HA PHE 87 - QB ALA 16 far 0 97 0 - 7.9-37.2 HA LYS 31 - QB ALA 34 far 0 54 0 - 8.5-8.9 HA GLN 61 - QB ALA 109 far 0 45 0 - 8.6-10.2 HA LEU 22 - QB ALA 16 far 0 99 0 - 8.7-13.1 HA ALA 16 - QB ALA 34 far 0 54 0 - 8.8-26.3 HA LEU 22 - QB ALA 34 far 0 51 0 - 8.8-16.4 HA ALA 12 - QB ALA 34 far 0 50 0 - 9.2-31.0 HA ARG 23 - QB ALA 16 far 0 97 0 - 9.7-14.0 HA THR 18 - QB ALA 34 far 0 43 0 - 9.8-21.8 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 11 assignments used, quality = 1.00: * H GLY 17 + QB ALA 16 OK 100 100 100 100 2.0-3.7 3.7=100 H GLY 111 + QB ALA 109 OK 34 36 100 95 2.0-3.3 7583/10136=49...(9) H ALA 110 + QB ALA 109 OK 33 33 100 100 2.4-3.5 3.7=100 H LYS 19 - QB ALA 16 poor 15 60 25 - 4.2-7.5 H ALA 21 - QB ALA 16 far 5 96 5 - 5.2-8.7 H TYR 72 - QB ALA 34 far 0 54 0 - 7.6-9.4 H GLY 17 - QB ALA 34 far 0 54 0 - 8.1-24.3 H ALA 28 - QB ALA 34 far 0 52 0 - 8.2-10.2 H ALA 21 - QB ALA 34 far 0 48 0 - 8.6-19.6 H LYS 19 - QB ALA 34 far 0 26 0 - 9.3-22.6 H TYR 72 - QB ALA 16 far 0 100 0 - 9.6-33.7 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 8 assignments used, quality = 1.00: H GLY 17 + HA3 GLY 17 OK 100 100 100 100 2.3-2.9 3.0=100 * H GLY 17 + HA2 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 2.8-3.0 3.0=100 H LYS 19 - HA2 GLY 17 poor 16 60 65 42 3.4-4.5 4.7/6137=21, 10699=10...(5) H LYS 19 - HA3 GLY 17 poor 15 60 25 - 3.2-5.5 H ALA 21 - HA2 GLY 17 far 0 96 0 - 4.6-6.9 H ALA 21 - HA3 GLY 17 far 0 96 0 - 4.6-6.5 H ALA 110 - HA3 GLY 111 far 0 53 0 - 5.2-5.4 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 4 assignments used, quality = 0.99: H THR 18 + HA3 GLY 17 OK 94 100 100 94 2.6-3.6 3.6=71, 6138/1.8=54...(6) * H THR 18 + HA2 GLY 17 OK 90 100 100 90 2.2-3.6 3.6=71, 6134/3.0=41...(6) H SER 94 - HA2 GLY 17 far 0 85 0 - 8.7-40.9 H SER 94 - HA3 GLY 17 far 0 85 0 - 8.9-39.8 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 8 assignments used, quality = 1.00: * H GLY 17 + HA3 GLY 17 OK 100 100 100 100 2.3-2.9 3.0=100 H GLY 17 + HA2 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 2.8-3.0 3.0=100 H LYS 19 - HA2 GLY 17 poor 16 60 65 42 3.4-4.5 4.7/6137=21, 10699=10...(5) H LYS 19 - HA3 GLY 17 poor 15 60 25 - 3.2-5.5 H ALA 21 - HA2 GLY 17 far 0 96 0 - 4.6-6.9 H ALA 21 - HA3 GLY 17 far 0 96 0 - 4.6-6.5 H ALA 110 - HA3 GLY 111 far 0 53 0 - 5.2-5.4 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 4 assignments used, quality = 0.99: * H THR 18 + HA3 GLY 17 OK 94 100 100 94 2.6-3.6 3.6=71, 6138/1.8=54...(6) H THR 18 + HA2 GLY 17 OK 90 100 100 90 2.2-3.6 3.6=71, 6134/3.0=41...(6) H SER 94 - HA2 GLY 17 far 0 85 0 - 8.7-40.9 H SER 94 - HA3 GLY 17 far 0 85 0 - 8.9-39.8 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 1 assignment used, quality = 1.00: * H THR 18 + HA THR 18 OK 100 100 100 100 2.3-2.9 3.0=100 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 3 assignments used, quality = 1.00: * HB THR 18 + HA THR 18 OK 100 100 100 100 2.7-3.0 3.0=100 HB THR 25 - HA THR 18 far 0 99 0 - 7.1-16.8 HB THR 83 - HA THR 18 far 0 71 0 - 8.2-38.0 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 3 assignments used, quality = 1.00: * QG2 THR 18 + HA THR 18 OK 100 100 100 100 2.7-3.1 3.2=100 QG2 THR 25 - HA THR 18 far 0 90 0 - 5.3-14.0 QG2 VAL 77 - HA THR 18 far 0 97 0 - 8.0-28.7 Violated in 0 structures by 0.00 A. Peak 226 from cnoeabs.peaks (8.35, 4.29, 61.95 ppm; 3.62 A increased from 2.89 A): 1 out of 8 assignments used, quality = 1.00: * H LYS 19 + HA THR 18 OK 100 100 100 100 3.5-3.6 3.6=100 H GLY 17 - HA THR 18 far 0 60 0 - 4.3-5.4 H LYS 24 - HA THR 18 far 0 83 0 - 7.4-11.5 H ALA 28 - HA THR 18 far 0 78 0 - 8.7-22.5 H LYS 26 - HA THR 18 far 0 81 0 - 9.4-17.1 H HIS 3 - HA THR 18 far 0 57 0 - 9.5-46.9 H GLY 14 - HA THR 18 far 0 89 0 - 9.8-14.5 H LYS 86 - HA THR 18 far 0 98 0 - 10.0-37.8 Violated in 0 structures by 0.00 A. Peak 227 from cnoeabs.peaks (7.97, 4.19, 69.66 ppm; 3.40 A): 1 out of 4 assignments used, quality = 1.00: * H THR 18 + HB THR 18 OK 100 100 100 100 2.1-3.3 6140=100, 6141/2.1=62...(7) H LYS 36 - HB THR 25 far 0 60 0 - 8.0-15.8 H ILE 37 - HB THR 25 far 0 86 0 - 9.9-17.4 H THR 18 - HB THR 25 far 0 88 0 - 10.0-18.3 Violated in 0 structures by 0.00 A. Peak 228 from cnoeabs.peaks (4.29, 4.19, 69.66 ppm; 4.35 A): 2 out of 21 assignments used, quality = 1.00: * HA THR 18 + HB THR 18 OK 100 100 100 100 2.7-3.0 3.0=100 HA THR 25 + HB THR 25 OK 88 88 100 100 2.3-2.6 3.0=100 HA LYS 19 - HB THR 18 poor 14 71 20 - 4.8-5.4 HA LYS 26 - HB THR 25 far 3 60 5 - 4.7-6.0 HA ALA 16 - HB THR 18 lone 1 90 45 2 4.3-8.1 2.1/10691=1 HA2 GLY 75 - HB THR 25 far 0 54 0 - 5.9-18.0 HA LEU 22 - HB THR 25 far 0 58 0 - 5.9-10.8 HA ALA 21 - HB THR 25 far 0 88 0 - 6.2-13.4 HA ALA 15 - HB THR 18 far 0 99 0 - 6.4-11.1 HA LYS 19 - HB THR 25 far 0 56 0 - 6.5-16.5 HA ALA 21 - HB THR 18 far 0 100 0 - 6.8-8.1 HA SER 74 - HB THR 25 far 0 88 0 - 7.0-22.1 HA THR 18 - HB THR 25 far 0 88 0 - 7.1-16.8 HA ARG 23 - HB THR 25 far 0 86 0 - 7.1-8.4 HA LEU 22 - HB THR 18 far 0 73 0 - 7.3-10.5 HA ALA 12 - HB THR 18 far 0 99 0 - 7.9-20.8 HA LYS 36 - HB THR 25 far 0 73 0 - 8.8-18.1 HA ARG 23 - HB THR 18 far 0 99 0 - 9.6-12.4 HA LYS 31 - HB THR 25 far 0 76 0 - 9.7-17.2 HA ALA 15 - HB THR 25 far 0 85 0 - 9.8-24.7 HA SER 74 - HB THR 18 far 0 100 0 - 9.9-34.6 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 7 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 - 6.5-12.0 QG2 THR 25 - HB THR 18 far 0 90 0 - 7.0-15.9 QG2 THR 18 - HB THR 25 far 0 88 0 - 7.6-15.6 QG2 VAL 77 - HB THR 18 far 0 97 0 - 9.9-30.8 QG2 VAL 77 - HB THR 25 far 0 83 0 - 10.0-18.2 Violated in 0 structures by 0.00 A. Peak 231 from cnoeabs.peaks (8.35, 4.19, 69.66 ppm; 3.64 A increased from 3.42 A): 2 out of 10 assignments used, quality = 1.00: * H LYS 19 + HB THR 18 OK 100 100 100 100 2.7-3.7 6146=100, 6147/2.1=66...(14) H LYS 26 + HB THR 25 OK 63 65 100 97 2.4-3.7 6247=65, 6248/2.1=52...(12) H GLY 17 - HB THR 18 poor 12 60 20 - 3.3-5.6 H ALA 28 - HB THR 25 far 0 63 0 - 5.0-10.3 H LYS 24 - HB THR 25 far 0 67 0 - 5.6-6.2 H GLY 14 - HB THR 18 far 0 89 0 - 8.1-15.1 H LYS 19 - HB THR 25 far 0 88 0 - 8.2-17.5 H TYR 72 - HB THR 25 far 0 51 0 - 8.5-23.3 H HIS 3 - HB THR 18 far 0 57 0 - 9.5-46.0 H LYS 24 - HB THR 18 far 0 83 0 - 9.5-13.7 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 4 assignments used, quality = 1.00: * H THR 18 + QG2 THR 18 OK 100 100 100 100 2.7-3.9 6141=100, 6140/2.1=86...(6) H THR 18 - QG2 THR 25 far 0 70 0 - 7.0-15.6 H LYS 36 - QG2 THR 25 far 0 46 0 - 8.7-13.4 H ILE 37 - QG2 THR 25 far 0 68 0 - 9.2-14.7 Violated in 3 structures by 0.01 A. Peak 233 from cnoeabs.peaks (4.29, 1.17, 21.38 ppm; 3.27 A): 4 out of 28 assignments used, quality = 1.00: * HA THR 18 + QG2 THR 18 OK 100 100 100 100 2.7-3.1 3.2=100 HA THR 25 + QG2 THR 25 OK 70 70 100 100 2.3-3.2 3.2=100 HA LYS 19 + QG2 THR 18 OK 62 71 100 87 2.8-2.9 3.0/6147=44, ~6146=23...(12) HA LYS 26 + QG2 THR 25 OK 29 46 75 85 3.4-5.6 2.9/6248=42, ~6247=23...(13) HA LYS 19 - QG2 THR 25 far 0 42 0 - 4.1-13.8 HA ALA 21 - QG2 THR 25 far 0 70 0 - 4.2-10.8 HA ARG 23 - QG2 THR 25 far 0 68 0 - 4.3-7.3 HA LEU 22 - QG2 THR 18 far 0 73 0 - 4.4-7.9 HA2 GLY 75 - QG2 THR 25 far 0 40 0 - 4.6-15.0 HA ALA 16 - QG2 THR 18 far 0 90 0 - 5.3-7.9 HA THR 18 - QG2 THR 25 far 0 70 0 - 5.3-14.0 HA ALA 21 - QG2 THR 18 far 0 100 0 - 5.7-6.7 HA LEU 22 - QG2 THR 25 far 0 44 0 - 5.7-9.2 HA SER 74 - QG2 THR 25 far 0 70 0 - 6.0-18.6 HA ALA 15 - QG2 THR 18 far 0 99 0 - 6.1-10.6 HA ARG 23 - QG2 THR 18 far 0 99 0 - 6.3-9.7 HA ALA 15 - QG2 THR 25 far 0 68 0 - 7.3-20.9 HA LYS 31 - QG2 THR 25 far 0 59 0 - 7.8-13.1 HA ALA 12 - QG2 THR 18 far 0 99 0 - 8.0-18.7 HA SER 74 - QG2 THR 18 far 0 100 0 - 8.2-28.5 HA LYS 26 - QG2 THR 18 far 0 76 0 - 8.5-14.9 HA TYR 76 - QG2 THR 25 far 0 51 0 - 8.6-15.4 HA ALA 16 - QG2 THR 25 far 0 58 0 - 8.8-18.3 HA LYS 31 - QG2 THR 18 far 0 92 0 - 8.9-23.7 HA THR 25 - QG2 THR 18 far 0 100 0 - 9.0-14.4 HA2 GLY 75 - QG2 THR 18 far 0 68 0 - 9.1-25.7 HA LYS 36 - QG2 THR 25 far 0 56 0 - 9.4-15.4 HA PHE 87 - QG2 THR 18 far 0 65 0 - 10.0-32.4 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 5 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 18 - QG2 THR 25 far 0 70 0 - 7.0-15.9 HB THR 25 - QG2 THR 18 far 0 99 0 - 7.6-15.6 HB THR 83 - QG2 THR 18 far 0 71 0 - 8.7-32.4 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): 2 out of 14 assignments used, quality = 1.00: * H LYS 19 + QG2 THR 18 OK 100 100 100 100 2.2-2.5 6147=100, 6146/2.1=82...(9) H LYS 26 + QG2 THR 25 OK 49 50 100 99 2.4-3.9 4.3=90, 6247/2.1=57...(7) H LYS 24 - QG2 THR 25 poor 13 51 25 - 3.5-5.3 H GLY 17 - QG2 THR 18 far 6 60 10 - 4.4-6.1 H ALA 28 - QG2 THR 25 far 0 48 0 - 5.3-6.9 H LYS 19 - QG2 THR 25 far 0 70 0 - 5.5-14.6 H LYS 24 - QG2 THR 18 far 0 83 0 - 6.5-10.7 H ALA 28 - QG2 THR 18 far 0 78 0 - 7.7-20.1 H GLY 14 - QG2 THR 18 far 0 89 0 - 8.0-13.9 H GLY 17 - QG2 THR 25 far 0 35 0 - 8.4-16.9 H TYR 72 - QG2 THR 25 far 0 39 0 - 8.5-19.4 H GLY 14 - QG2 THR 25 far 0 56 0 - 9.2-24.0 H LYS 26 - QG2 THR 18 far 0 81 0 - 9.2-15.7 H HIS 3 - QG2 THR 18 far 0 57 0 - 10.0-39.4 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 13 assignments used, quality = 1.00: * H LYS 19 + HA LYS 19 OK 100 100 100 100 2.7-2.8 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 15 77 20 - 3.3-6.7 H LYS 24 - HA LYS 19 far 0 83 0 - 4.7-10.6 H GLY 17 - HA LYS 19 far 0 60 0 - 5.4-8.4 H LYS 24 - HA LYS 26 far 0 81 0 - 6.4-7.4 H ALA 28 - HA LYS 31 far 0 64 0 - 7.1-9.0 H LYS 24 - HA LYS 31 far 0 68 0 - 7.1-18.7 H LYS 26 - HA LYS 31 far 0 66 0 - 7.5-13.9 H LYS 19 - HA LYS 31 far 0 89 0 - 8.6-26.7 H LYS 26 - HA LYS 36 far 0 50 0 - 9.3-15.4 H LYS 26 - HA LYS 19 far 0 81 0 - 9.3-16.8 H ALA 28 - HA LYS 19 far 0 78 0 - 9.9-21.7 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): 3 out of 18 assignments used, quality = 1.00: * HB2 LYS 19 + HA LYS 19 OK 100 100 100 100 2.3-2.4 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 3.0-3.0 3.0=100 HB2 LYS 24 - HA LYS 19 far 0 100 0 - 4.0-13.5 HB2 LYS 31 - HA LYS 26 far 0 98 0 - 4.3-11.2 HB2 ARG 23 - HA LYS 19 far 0 100 0 - 4.5-9.3 HB2 LYS 26 - HA LYS 31 far 0 89 0 - 4.9-11.8 HB2 ARG 23 - HA LYS 31 far 0 88 0 - 5.8-19.1 HB2 LYS 24 - HA LYS 26 far 0 99 0 - 6.2-8.2 HB2 LYS 31 - HA LYS 19 far 0 99 0 - 6.8-22.9 HB2 ARG 23 - HA LYS 26 far 0 99 0 - 6.9-10.2 HB2 LYS 19 - HA LYS 31 far 0 89 0 - 7.3-26.4 HB2 LYS 26 - HA LYS 36 far 0 71 0 - 7.9-15.0 HG3 ARG 90 - HA LYS 19 far 0 87 0 - 9.2-34.8 HB2 LYS 19 - HA LYS 26 far 0 100 0 - 9.4-17.1 HB2 LYS 24 - HA LYS 31 far 0 89 0 - 9.6-19.4 HB2 LYS 26 - HA LYS 19 far 0 100 0 - 9.7-17.9 HB ILE 80 - HA LYS 19 far 0 95 0 - 9.9-34.2 Violated in 0 structures by 0.00 A. Peak 240 from cnoeabs.peaks (1.81, 4.27, 56.54 ppm; 3.43 A): 4 out of 22 assignments used, quality = 1.00: * HB3 LYS 19 + HA LYS 19 OK 100 100 100 100 2.5-2.7 3.0=100 HB3 LYS 26 + HA LYS 26 OK 98 98 100 100 2.3-3.0 3.0=100 HB3 LYS 31 + HA LYS 31 OK 89 89 100 100 2.5-2.6 3.0=100 HB2 LYS 36 + HA LYS 36 OK 69 69 100 100 2.2-2.9 3.0=100 HB3 LYS 31 - HA LYS 26 far 0 100 0 - 4.5-12.4 HB3 LYS 26 - HA LYS 31 far 0 87 0 - 4.5-10.2 HB ILE 32 - HA LYS 26 far 0 99 0 - 4.8-10.0 HB ILE 32 - HA LYS 31 far 0 87 0 - 4.8-5.6 HB3 ARG 23 - HA LYS 26 far 0 95 0 - 5.4-10.0 HB3 LYS 24 - HA LYS 19 far 0 100 0 - 5.5-13.9 HB3 LYS 19 - HA LYS 31 far 0 89 0 - 5.6-24.7 HB3 LYS 31 - HA LYS 19 far 0 100 0 - 5.7-24.3 HB3 ARG 23 - HA LYS 19 far 0 97 0 - 5.8-10.6 HB ILE 32 - HA LYS 36 far 0 69 0 - 6.4-7.7 HB3 LYS 24 - HA LYS 26 far 0 100 0 - 6.7-8.2 HB3 ARG 23 - HA LYS 31 far 0 83 0 - 7.2-20.2 HB2 CYS 79 - HA LYS 36 far 0 39 0 - 7.7-10.1 HB3 LYS 19 - HA LYS 26 far 0 100 0 - 7.7-15.6 HB2 LYS 36 - HA LYS 31 far 0 88 0 - 7.8-9.5 HB2 CYS 79 - HA LYS 19 far 0 65 0 - 8.0-30.8 HB3 LYS 26 - HA LYS 36 far 0 68 0 - 8.7-14.1 HB2 LYS 36 - HA LYS 26 far 0 99 0 - 9.4-16.2 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 26 assignments used, quality = 1.00: * HG2 LYS 19 + HA LYS 19 OK 98 100 100 98 3.5-3.6 4.2=59, 6151/3.0=51...(39) HG3 LYS 26 + HA LYS 26 OK 86 87 100 99 2.6-3.7 4.0=64, 6253/2.9=47...(31) HG2 LYS 36 + HA LYS 36 OK 57 58 100 99 3.1-3.3 4.1=60, 6394/3.0=43...(29) HG3 LYS 31 + HA LYS 31 OK 53 55 100 97 2.2-3.7 3.8=77, 1.8/822=26...(21) QB ALA 28 - HA LYS 26 far 13 84 15 - 3.8-7.7 QB ALA 21 - HA LYS 19 far 0 76 0 - 4.3-5.3 HG2 LYS 24 - HA LYS 19 far 0 92 0 - 4.8-11.2 HG3 LYS 31 - HA LYS 19 far 0 68 0 - 4.8-25.5 QB ALA 29 - HA LYS 36 far 0 58 0 - 5.2-8.8 QB ALA 29 - HA LYS 31 far 0 75 0 - 5.5-6.6 QB ALA 29 - HA LYS 26 far 0 89 0 - 5.6-9.5 QB ALA 12 - HA LYS 31 far 0 88 0 - 6.2-33.7 QB ALA 28 - HA LYS 31 far 0 70 0 - 6.6-7.7 HG3 LYS 26 - HA LYS 31 far 0 74 0 - 6.6-12.4 HG3 LYS 31 - HA LYS 26 far 0 67 0 - 6.8-12.7 QB ALA 15 - HA LYS 19 far 0 87 0 - 6.9-12.4 HG2 LYS 19 - HA LYS 31 far 0 89 0 - 6.9-25.0 QB ALA 21 - HA LYS 26 far 0 75 0 - 7.4-12.0 HG3 LYS 26 - HA LYS 36 far 0 56 0 - 7.8-13.9 HG2 LYS 24 - HA LYS 26 far 0 91 0 - 8.0-9.2 QB ALA 21 - HA LYS 31 far 0 61 0 - 8.4-21.0 QB ALA 28 - HA LYS 19 far 0 85 0 - 8.6-20.2 HG2 LYS 19 - HA LYS 26 far 0 100 0 - 8.9-15.8 QB ALA 12 - HA LYS 19 far 0 100 0 - 9.1-20.2 HG2 LYS 24 - HA LYS 31 far 0 77 0 - 9.5-19.9 HG3 LYS 26 - HA LYS 19 far 0 89 0 - 9.9-17.8 Violated in 0 structures by 0.00 A. Peak 242 from cnoeabs.peaks (1.44, 4.27, 56.54 ppm; 3.86 A): 4 out of 20 assignments used, quality = 1.00: * HG3 LYS 19 + HA LYS 19 OK 100 100 100 100 4.2-4.2 4.2=80, 6152/3.0=43...(40) HG2 LYS 26 + HA LYS 26 OK 95 95 100 100 2.9-4.2 4.0=87, 6252/2.9=61...(31) HG2 LYS 31 + HA LYS 31 OK 89 89 100 100 2.2-3.7 3.8=100 HG3 LYS 36 + HA LYS 36 OK 46 46 100 100 3.4-3.5 4.1=82, ~6394=37...(27) HG13 ILE 32 - HA LYS 26 far 10 99 10 - 3.1-8.1 HG3 LYS 24 - HA LYS 19 far 5 100 5 - 4.3-12.8 HG13 ILE 32 - HA LYS 31 far 0 88 0 - 5.0-5.6 HG2 LYS 26 - HA LYS 31 far 0 83 0 - 5.1-11.8 HG3 LYS 19 - HA LYS 31 far 0 89 0 - 6.2-25.0 HG2 LYS 31 - HA LYS 19 far 0 100 0 - 6.3-23.8 QB ALA 34 - HA LYS 26 far 0 69 0 - 6.3-10.4 QB ALA 34 - HA LYS 36 far 0 43 0 - 6.3-6.4 HG2 LYS 31 - HA LYS 26 far 0 100 0 - 6.5-13.6 QB ALA 34 - HA LYS 19 far 0 71 0 - 7.7-21.5 HG3 LYS 19 - HA LYS 26 far 0 100 0 - 7.8-16.3 HG2 LYS 26 - HA LYS 36 far 0 64 0 - 8.1-13.8 HG3 LYS 24 - HA LYS 26 far 0 100 0 - 8.4-9.7 QB ALA 34 - HA LYS 31 far 0 57 0 - 8.5-8.9 HG13 ILE 32 - HA LYS 36 far 0 69 0 - 8.5-10.0 HG3 LYS 36 - HA LYS 31 far 0 61 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 243 from cnoeabs.peaks (1.65, 4.27, 56.54 ppm; 4.55 A): 8 out of 31 assignments used, quality = 1.00: * HD2 LYS 19 + HA LYS 19 OK 100 100 100 100 3.5-4.4 5.2=68, ~6151=38...(42) HD3 LYS 19 + HA LYS 19 OK 100 100 100 100 3.8-5.0 5.2=68, ~6151=38...(41) HD2 LYS 26 + HA LYS 26 OK 95 95 100 100 2.0-5.1 5.0=76, ~6253=40...(34) HD3 LYS 31 + HA LYS 31 OK 82 83 100 100 1.9-4.8 5.2=66, ~6332=34...(32) HD2 LYS 31 + HA LYS 31 OK 81 81 100 100 2.0-4.7 5.2=66, ~6332=34...(32) HD3 LYS 26 + HA LYS 26 OK 78 97 80 100 2.0-5.3 5.0=76, ~6253=40...(34) HD2 LYS 36 + HA LYS 36 OK 50 50 100 100 4.6-4.6 5.3=64, ~6394=37...(29) HD3 LYS 36 + HA LYS 36 OK 40 50 80 100 4.9-5.2 5.3=64, ~6394=37...(30) HG3 ARG 23 - HA LYS 26 poor 15 75 20 - 4.2-11.2 HD3 LYS 26 - HA LYS 31 far 8 85 10 - 4.0-10.4 HD3 LYS 31 - HA LYS 19 far 5 97 5 - 4.2-24.3 HD2 LYS 31 - HA LYS 19 far 5 96 5 - 5.1-24.1 HD2 LYS 26 - HA LYS 31 far 4 83 5 - 5.1-10.1 HD2 LYS 26 - HA LYS 36 far 0 64 0 - 5.9-11.4 HD3 LYS 26 - HA LYS 36 far 0 66 0 - 6.0-12.7 HG3 ARG 23 - HA LYS 19 far 0 76 0 - 6.3-11.1 HD2 LYS 31 - HA LYS 26 far 0 94 0 - 6.5-14.6 HD2 LYS 24 - HA LYS 19 far 0 96 0 - 6.5-12.9 HD3 LYS 24 - HA LYS 19 far 0 97 0 - 6.6-13.2 HG3 ARG 23 - HA LYS 31 far 0 61 0 - 6.6-20.1 HD3 LYS 24 - HA LYS 26 far 0 95 0 - 6.8-10.5 HD2 LYS 36 - HA LYS 31 far 0 66 0 - 7.5-8.1 HD3 LYS 31 - HA LYS 26 far 0 95 0 - 7.8-13.5 HD2 LYS 24 - HA LYS 26 far 0 94 0 - 7.8-10.9 HD3 LYS 19 - HA LYS 31 far 0 89 0 - 8.3-27.0 HD2 LYS 86 - HA LYS 19 far 0 97 0 - 8.6-32.1 HD2 LYS 19 - HA LYS 31 far 0 89 0 - 8.9-27.5 HD3 LYS 36 - HA LYS 31 far 0 66 0 - 9.1-9.5 HD3 LYS 86 - HA LYS 19 far 0 97 0 - 9.3-32.9 HD3 LYS 26 - HA LYS 19 far 0 98 0 - 9.7-20.2 HD3 LYS 19 - HA LYS 26 far 0 100 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 244 from cnoeabs.peaks (1.65, 4.27, 56.54 ppm; 4.55 A): 8 out of 31 assignments used, quality = 1.00: HD2 LYS 19 + HA LYS 19 OK 100 100 100 100 3.5-4.4 5.2=68, ~6151=38...(42) * HD3 LYS 19 + HA LYS 19 OK 100 100 100 100 3.8-5.0 5.2=68, ~6151=38...(41) HD2 LYS 26 + HA LYS 26 OK 95 95 100 100 2.0-5.1 5.0=76, ~6253=40...(34) HD3 LYS 31 + HA LYS 31 OK 82 83 100 100 1.9-4.8 5.2=66, ~6332=34...(32) HD2 LYS 31 + HA LYS 31 OK 81 81 100 100 2.0-4.7 5.2=66, ~6332=34...(32) HD3 LYS 26 + HA LYS 26 OK 78 97 80 100 2.0-5.3 5.0=76, ~6253=40...(34) HD2 LYS 36 + HA LYS 36 OK 50 50 100 100 4.6-4.6 5.3=64, ~6394=37...(29) HD3 LYS 36 + HA LYS 36 OK 40 50 80 100 4.9-5.2 5.3=64, ~6394=37...(30) HG3 ARG 23 - HA LYS 26 poor 15 75 20 - 4.2-11.2 HD3 LYS 26 - HA LYS 31 far 8 85 10 - 4.0-10.4 HD3 LYS 31 - HA LYS 19 far 5 97 5 - 4.2-24.3 HD2 LYS 31 - HA LYS 19 far 5 96 5 - 5.1-24.1 HD2 LYS 26 - HA LYS 31 far 4 83 5 - 5.1-10.1 HD2 LYS 26 - HA LYS 36 far 0 64 0 - 5.9-11.4 HD3 LYS 26 - HA LYS 36 far 0 66 0 - 6.0-12.7 HG3 ARG 23 - HA LYS 19 far 0 76 0 - 6.3-11.1 HD2 LYS 31 - HA LYS 26 far 0 94 0 - 6.5-14.6 HD2 LYS 24 - HA LYS 19 far 0 96 0 - 6.5-12.9 HD3 LYS 24 - HA LYS 19 far 0 97 0 - 6.6-13.2 HG3 ARG 23 - HA LYS 31 far 0 61 0 - 6.6-20.1 HD3 LYS 24 - HA LYS 26 far 0 95 0 - 6.8-10.5 HD2 LYS 36 - HA LYS 31 far 0 66 0 - 7.5-8.1 HD3 LYS 31 - HA LYS 26 far 0 95 0 - 7.8-13.5 HD2 LYS 24 - HA LYS 26 far 0 94 0 - 7.8-10.9 HD3 LYS 19 - HA LYS 31 far 0 89 0 - 8.3-27.0 HD2 LYS 86 - HA LYS 19 far 0 97 0 - 8.6-32.1 HD2 LYS 19 - HA LYS 31 far 0 89 0 - 8.9-27.5 HD3 LYS 36 - HA LYS 31 far 0 66 0 - 9.1-9.5 HD3 LYS 86 - HA LYS 19 far 0 97 0 - 9.3-32.9 HD3 LYS 26 - HA LYS 19 far 0 98 0 - 9.7-20.2 HD3 LYS 19 - HA LYS 26 far 0 100 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 248 from cnoeabs.peaks (8.35, 1.75, 32.77 ppm; 3.38 A): 3 out of 17 assignments used, quality = 1.00: * H LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.6-2.9 6149=100, 6151/3.0=47...(35) H LYS 24 + HB2 LYS 24 OK 81 81 100 100 2.4-3.6 6220=74, 6214/1.8=48...(23) H LYS 26 + HB2 LYS 26 OK 79 80 100 99 2.5-3.8 6250=72, 6251/1.8=44...(31) H ALA 28 - HB2 LYS 26 poor 15 77 20 - 2.7-7.3 H LYS 24 - HB2 LYS 31 far 0 77 0 - 4.2-17.9 H GLY 17 - HB2 LYS 19 far 0 60 0 - 5.0-8.5 H LYS 26 - HB2 LYS 31 far 0 75 0 - 5.1-13.2 H LYS 26 - HB2 LYS 24 far 0 79 0 - 6.0-7.1 H GLU 44 - HB2 LYS 39 far 0 44 0 - 6.2-8.2 H LYS 24 - HB2 LYS 19 far 0 83 0 - 6.2-12.3 H ALA 28 - HB2 LYS 31 far 0 72 0 - 6.3-8.2 H LYS 19 - HB2 LYS 24 far 0 100 0 - 6.7-14.6 H ALA 28 - HB2 LYS 24 far 0 77 0 - 6.7-13.5 H LYS 24 - HB2 LYS 26 far 0 82 0 - 7.9-9.4 H LYS 19 - HB2 LYS 31 far 0 97 0 - 8.8-24.2 H LYS 26 - HB2 LYS 19 far 0 81 0 - 9.1-18.2 H GLY 14 - HB2 LYS 19 far 0 89 0 - 9.5-17.8 Violated in 0 structures by 0.00 A. Peak 249 from cnoeabs.peaks (4.27, 1.75, 32.77 ppm; 3.28 A): 3 out of 44 assignments used, quality = 1.00: * HA LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.3-2.4 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 3.0-3.0 3.0=100 HA ARG 23 - HB2 LYS 31 far 4 79 5 - 2.6-16.6 HA ALA 21 - HB2 LYS 24 far 4 74 5 - 3.2-10.2 HA LYS 19 - HB2 LYS 24 far 0 100 0 - 4.0-13.5 HA THR 25 - HB2 LYS 24 far 0 72 0 - 4.2-5.0 HA GLN 27 - HB2 LYS 26 far 0 75 0 - 4.2-5.8 HA LEU 22 - HB2 LYS 24 far 0 99 0 - 4.2-7.1 HA ALA 28 - HB2 LYS 26 far 0 59 0 - 4.3-8.0 HA LYS 26 - HB2 LYS 31 far 0 97 0 - 4.3-11.2 HA THR 25 - HB2 LYS 26 far 0 73 0 - 4.5-5.6 HA ARG 23 - HB2 LYS 24 far 0 83 0 - 4.6-6.1 HA LYS 31 - HB2 LYS 26 far 0 97 0 - 4.9-11.8 HA SER 74 - HB2 LYS 19 far 0 73 0 - 5.6-34.6 HA THR 18 - HB2 LYS 19 far 0 71 0 - 6.0-6.2 HA LYS 26 - HB2 LYS 24 far 0 99 0 - 6.2-8.2 HA ALA 16 - HB2 LYS 19 far 0 98 0 - 6.3-10.0 HA ARG 23 - HB2 LYS 19 far 0 85 0 - 6.3-11.2 HA LEU 22 - HB2 LYS 31 far 0 97 0 - 6.8-20.4 HA LYS 19 - HB2 LYS 31 far 0 97 0 - 6.8-22.9 HA GLN 27 - HB2 LYS 31 far 0 70 0 - 6.8-10.6 HA ALA 15 - HB2 LYS 19 far 0 87 0 - 6.9-13.3 HA ARG 23 - HB2 LYS 26 far 0 84 0 - 7.0-10.2 HA THR 25 - HB2 LYS 31 far 0 68 0 - 7.1-15.0 HA THR 18 - HB2 LYS 24 far 0 69 0 - 7.3-14.1 HA LYS 31 - HB2 LYS 19 far 0 97 0 - 7.3-26.4 HA ALA 12 - HB2 LYS 19 far 0 87 0 - 7.3-22.3 HA THR 25 - HB2 LYS 19 far 0 73 0 - 7.6-17.0 HA LYS 36 - HB2 LYS 26 far 0 98 0 - 7.9-15.0 HA LEU 22 - HB2 LYS 19 far 0 100 0 - 7.9-10.4 HA ALA 21 - HB2 LYS 31 far 0 70 0 - 8.0-21.9 HA ALA 21 - HB2 LYS 19 far 0 76 0 - 8.1-8.5 HA GLN 27 - HB2 LYS 24 far 0 74 0 - 8.3-10.8 HA ALA 28 - HB2 LYS 24 far 0 58 0 - 8.4-13.7 HA ALA 28 - HB2 LYS 31 far 0 55 0 - 8.5-9.9 HA SER 74 - HB2 LYS 24 far 0 72 0 - 8.6-21.9 HA LEU 22 - HB2 LYS 26 far 0 100 0 - 8.7-13.8 HA ALA 12 - HB2 LYS 31 far 0 81 0 - 9.0-37.5 HA LYS 26 - HB2 LYS 19 far 0 100 0 - 9.4-17.1 HA LYS 31 - HB2 LYS 24 far 0 96 0 - 9.6-19.4 HA GLN 27 - HB2 LYS 19 far 0 76 0 - 9.7-21.0 HA LYS 19 - HB2 LYS 26 far 0 100 0 - 9.7-17.9 HA ALA 16 - HB2 LYS 31 far 0 93 0 - 9.8-27.0 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 28 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 26 - HB2 LYS 31 far 5 95 5 - 2.8-9.8 HB3 LYS 31 - HB2 LYS 26 far 0 100 0 - 3.3-12.5 HB3 LYS 19 - HB2 LYS 24 far 0 100 0 - 4.2-14.4 HB3 ARG 23 - HB2 LYS 31 far 0 92 0 - 5.4-19.6 HB ILE 32 - HB2 LYS 26 far 0 99 0 - 5.4-8.5 HB ILE 32 - HB2 LYS 31 far 0 95 0 - 6.0-6.4 HB3 ARG 23 - HB2 LYS 24 far 0 95 0 - 6.1-7.3 HB3 LYS 19 - HB2 LYS 31 far 0 97 0 - 6.3-22.1 HB3 ARG 23 - HB2 LYS 26 far 0 96 0 - 6.4-12.2 HB3 LYS 31 - HB2 LYS 19 far 0 100 0 - 6.5-25.3 HB3 ARG 23 - HB2 LYS 19 far 0 97 0 - 6.5-12.1 HB3 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.6-15.6 HB2 CYS 79 - HB2 LYS 39 far 0 29 0 - 6.8-9.6 HB2 CYS 79 - HB2 LYS 19 far 0 65 0 - 7.0-32.6 HB3 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.9-19.1 HB3 LYS 24 - HB2 LYS 31 far 0 97 0 - 7.9-18.7 HB3 LYS 24 - HB2 LYS 26 far 0 100 0 - 8.1-9.9 HB2 LYS 36 - HB2 LYS 26 far 0 99 0 - 8.3-14.6 HB3 ARG 135 - HB2 LYS 39 far 0 53 0 - 8.3-11.2 HB3 LYS 26 - HB2 LYS 24 far 0 98 0 - 8.6-10.2 HB2 LYS 36 - HB2 LYS 31 far 0 96 0 - 9.1-11.4 HB2 CYS 79 - HB2 LYS 24 far 0 64 0 - 9.4-22.1 HB2 LYS 86 - HB2 LYS 19 far 0 89 0 - 9.5-37.3 HB3 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.7-17.7 Violated in 0 structures by 0.00 A. Peak 252 from cnoeabs.peaks (1.36, 1.75, 32.77 ppm; 3.34 A): 4 out of 31 assignments used, quality = 1.00: * HG2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.9-2.9 3.0=100 HG2 LYS 24 + HB2 LYS 24 OK 90 90 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HB2 LYS 26 OK 88 88 100 100 2.5-3.0 3.0=100 HG3 LYS 31 + HB2 LYS 31 OK 63 63 100 100 2.3-3.0 3.0=100 QB ALA 21 - HB2 LYS 24 far 4 74 5 - 3.8-9.4 HG3 LYS 26 - HB2 LYS 31 far 0 83 0 - 4.0-11.8 QB ALA 28 - HB2 LYS 26 far 0 84 0 - 4.3-7.9 QB ALA 29 - HB2 LYS 26 far 0 90 0 - 4.8-8.9 HG3 LYS 31 - HB2 LYS 26 far 0 67 0 - 5.1-12.9 HB2 LEU 42 - HB2 LYS 39 far 0 46 0 - 5.3-6.0 QB ALA 15 - HB2 LYS 19 far 0 87 0 - 5.5-12.4 QB ALA 12 - HB2 LYS 31 far 0 96 0 - 5.8-31.3 QB ALA 28 - HB2 LYS 24 far 0 83 0 - 5.9-13.1 HG3 LYS 31 - HB2 LYS 19 far 0 68 0 - 6.0-26.3 QB ALA 21 - HB2 LYS 19 far 0 76 0 - 6.1-6.5 QB ALA 28 - HB2 LYS 31 far 0 79 0 - 6.3-7.9 HG2 LYS 19 - HB2 LYS 24 far 0 100 0 - 6.4-14.3 HG2 LYS 24 - HB2 LYS 31 far 0 86 0 - 6.6-18.9 HG2 LYS 24 - HB2 LYS 19 far 0 92 0 - 6.7-13.0 QB ALA 29 - HB2 LYS 31 far 0 85 0 - 7.0-7.5 HG3 LYS 26 - HB2 LYS 24 far 0 87 0 - 7.1-8.9 QB ALA 21 - HB2 LYS 31 far 0 70 0 - 7.1-19.2 QB ALA 46 - HB2 LYS 39 far 0 35 0 - 7.4-8.9 HG2 LYS 19 - HB2 LYS 31 far 0 97 0 - 7.6-22.5 QB ALA 12 - HB2 LYS 19 far 0 100 0 - 7.7-19.6 HG3 LYS 31 - HB2 LYS 24 far 0 67 0 - 7.7-20.6 QB ALA 29 - HB2 LYS 24 far 0 89 0 - 7.9-14.1 QB ALA 21 - HB2 LYS 26 far 0 75 0 - 8.3-13.5 QB ALA 15 - HB2 LYS 24 far 0 85 0 - 9.2-18.3 HG2 LYS 24 - HB2 LYS 26 far 0 91 0 - 9.2-11.0 HG3 LYS 26 - HB2 LYS 19 far 0 89 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 253 from cnoeabs.peaks (1.44, 1.75, 32.77 ppm; 3.47 A): 4 out of 23 assignments used, quality = 1.00: * HG3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.7-2.8 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 2.2-2.9 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 poor 18 92 20 - 2.4-11.6 HG2 LYS 31 - HB2 LYS 26 far 0 100 0 - 4.5-14.0 HG13 ILE 32 - HB2 LYS 26 far 0 99 0 - 4.5-7.0 HG13 ILE 32 - HB2 LYS 31 far 0 96 0 - 4.6-6.1 QB ALA 34 - HB2 LYS 26 far 0 70 0 - 5.3-9.6 HG3 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.1-14.5 HG3 LYS 19 - HB2 LYS 24 far 0 100 0 - 6.3-15.3 HG3 LYS 19 - HB2 LYS 31 far 0 97 0 - 6.6-22.5 QB ALA 34 - HB2 LYS 19 far 0 71 0 - 7.0-22.9 HG2 LYS 31 - HB2 LYS 19 far 0 100 0 - 7.2-24.6 HG2 LYS 26 - HB2 LYS 24 far 0 95 0 - 7.3-9.8 HG3 LYS 24 - HB2 LYS 31 far 0 97 0 - 7.4-19.6 QB ALA 34 - HB2 LYS 24 far 0 69 0 - 7.6-13.6 QB ALA 34 - HB2 LYS 31 far 0 65 0 - 8.0-8.8 HG2 LYS 31 - HB2 LYS 24 far 0 99 0 - 8.1-20.1 HG2 LYS 86 - HB2 LYS 19 far 0 76 0 - 8.6-36.3 HG13 ILE 32 - HB2 LYS 24 far 0 99 0 - 9.1-14.3 HG3 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.5-17.7 HG3 LYS 24 - HB2 LYS 26 far 0 100 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 254 from cnoeabs.peaks (1.65, 1.75, 32.77 ppm; 4.26 A): 10 out of 38 assignments used, quality = 1.00: HD3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.0-3.5 3.9=100 * HD2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.2-3.2 3.9=100 HD3 LYS 26 + HB2 LYS 26 OK 97 97 100 100 2.3-3.9 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.1-4.0 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 95 95 100 100 2.6-3.7 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 94 94 100 100 2.6-4.2 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 2.1-4.2 3.5=100 HG LEU 43 + HB2 LYS 39 OK 34 53 65 99 3.4-5.3 ~11901=44, ~11073=36...(23) HD2 LYS 39 + HB2 LYS 39 OK 26 26 100 100 2.6-3.7 3.6=100 HD2 LYS 26 - HB2 LYS 31 poor 18 92 20 - 3.7-10.0 HD3 LYS 26 - HB2 LYS 31 far 14 93 15 - 2.1-9.6 HD3 LYS 31 - HB2 LYS 19 far 5 97 5 - 4.6-25.0 HG3 ARG 23 - HB2 LYS 26 far 0 75 0 - 5.1-12.8 HD2 LYS 31 - HB2 LYS 19 far 0 96 0 - 5.2-25.0 HG3 ARG 23 - HB2 LYS 24 far 0 74 0 - 5.3-7.9 HG3 ARG 23 - HB2 LYS 31 far 0 70 0 - 5.3-18.1 HD2 LYS 31 - HB2 LYS 26 far 0 95 0 - 5.4-13.3 HD3 LYS 31 - HB2 LYS 26 far 0 96 0 - 6.1-13.8 HD2 LYS 86 - HB2 LYS 19 far 0 97 0 - 6.5-34.1 HD3 LYS 86 - HB2 LYS 19 far 0 97 0 - 7.1-35.0 HG3 ARG 23 - HB2 LYS 19 far 0 76 0 - 7.2-12.4 HD2 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.3-16.3 HD3 LYS 24 - HB2 LYS 19 far 0 97 0 - 7.9-15.5 HD3 LYS 26 - HB2 LYS 24 far 0 97 0 - 7.9-11.0 HD3 LYS 19 - HB2 LYS 31 far 0 97 0 - 8.2-24.6 HD2 LYS 24 - HB2 LYS 19 far 0 96 0 - 8.2-15.2 HD3 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.2-16.3 HD2 LYS 36 - HB2 LYS 31 far 0 75 0 - 8.4-9.8 HD3 LYS 24 - HB2 LYS 26 far 0 96 0 - 8.4-11.9 HD2 LYS 26 - HB2 LYS 24 far 0 95 0 - 8.6-11.1 HD2 LYS 24 - HB2 LYS 31 far 0 90 0 - 8.8-21.3 HD2 LYS 19 - HB2 LYS 31 far 0 97 0 - 9.2-25.0 HD3 LYS 24 - HB2 LYS 31 far 0 92 0 - 9.4-20.4 HD2 LYS 24 - HB2 LYS 26 far 0 95 0 - 9.6-12.5 HD3 LYS 36 - HB2 LYS 31 far 0 75 0 - 9.7-11.4 HD3 LYS 31 - HB2 LYS 24 far 0 95 0 - 9.9-20.2 HD2 LYS 31 - HB2 LYS 24 far 0 94 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 255 from cnoeabs.peaks (1.65, 1.75, 32.77 ppm; 4.26 A): 10 out of 38 assignments used, quality = 1.00: * HD3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.0-3.5 3.9=100 HD2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.2-3.2 3.9=100 HD3 LYS 26 + HB2 LYS 26 OK 97 97 100 100 2.3-3.9 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.1-4.0 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 95 95 100 100 2.6-3.7 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 94 94 100 100 2.6-4.2 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 2.1-4.2 3.5=100 HG LEU 43 + HB2 LYS 39 OK 34 53 65 99 3.4-5.3 ~11901=44, ~11073=36...(23) HD2 LYS 39 + HB2 LYS 39 OK 26 26 100 100 2.6-3.7 3.6=100 HD2 LYS 26 - HB2 LYS 31 poor 18 92 20 - 3.7-10.0 HD3 LYS 26 - HB2 LYS 31 far 14 93 15 - 2.1-9.6 HD3 LYS 31 - HB2 LYS 19 far 5 97 5 - 4.6-25.0 HG3 ARG 23 - HB2 LYS 26 far 0 75 0 - 5.1-12.8 HD2 LYS 31 - HB2 LYS 19 far 0 96 0 - 5.2-25.0 HG3 ARG 23 - HB2 LYS 24 far 0 74 0 - 5.3-7.9 HG3 ARG 23 - HB2 LYS 31 far 0 70 0 - 5.3-18.1 HD2 LYS 31 - HB2 LYS 26 far 0 95 0 - 5.4-13.3 HD3 LYS 31 - HB2 LYS 26 far 0 96 0 - 6.1-13.8 HD2 LYS 86 - HB2 LYS 19 far 0 97 0 - 6.5-34.1 HD3 LYS 86 - HB2 LYS 19 far 0 97 0 - 7.1-35.0 HG3 ARG 23 - HB2 LYS 19 far 0 76 0 - 7.2-12.4 HD2 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.3-16.3 HD3 LYS 24 - HB2 LYS 19 far 0 97 0 - 7.9-15.5 HD3 LYS 26 - HB2 LYS 24 far 0 97 0 - 7.9-11.0 HD3 LYS 19 - HB2 LYS 31 far 0 97 0 - 8.2-24.6 HD2 LYS 24 - HB2 LYS 19 far 0 96 0 - 8.2-15.2 HD3 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.2-16.3 HD2 LYS 36 - HB2 LYS 31 far 0 75 0 - 8.4-9.8 HD3 LYS 24 - HB2 LYS 26 far 0 96 0 - 8.4-11.9 HD2 LYS 26 - HB2 LYS 24 far 0 95 0 - 8.6-11.1 HD2 LYS 24 - HB2 LYS 31 far 0 90 0 - 8.8-21.3 HD2 LYS 19 - HB2 LYS 31 far 0 97 0 - 9.2-25.0 HD3 LYS 24 - HB2 LYS 31 far 0 92 0 - 9.4-20.4 HD2 LYS 24 - HB2 LYS 26 far 0 95 0 - 9.6-12.5 HD3 LYS 36 - HB2 LYS 31 far 0 75 0 - 9.7-11.4 HD3 LYS 31 - HB2 LYS 24 far 0 95 0 - 9.9-20.2 HD2 LYS 31 - HB2 LYS 24 far 0 94 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 256 from cnoeabs.peaks (2.96, 1.75, 32.77 ppm; 6.80 A): 9 out of 30 assignments used, quality = 1.00: * HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.9-4.6 5.1=100 HE3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.5-4.5 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.2-5.4 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 3.6-5.5 5.1=100 HE3 LYS 26 + HB2 LYS 26 OK 97 97 100 100 3.5-5.0 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 97 97 100 100 4.2-5.5 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 95 95 100 100 2.4-5.5 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 93 93 100 100 3.0-5.1 4.8=100 HE2 LYS 39 + HB2 LYS 39 OK 29 29 100 100 2.1-4.7 4.9=100 HE3 LYS 24 - HB2 LYS 19 far 5 100 5 - 6.8-15.7 HE2 LYS 31 - HB2 LYS 19 far 5 99 5 - 7.3-27.4 HE2 LYS 31 - HB2 LYS 26 far 5 99 5 - 6.8-15.8 HE3 LYS 31 - HB2 LYS 19 far 5 98 5 - 6.4-27.0 HE3 LYS 31 - HB2 LYS 26 far 5 97 5 - 6.6-15.7 HE3 LYS 26 - HB2 LYS 31 lone 2 93 25 8 4.4-12.1 6337/6331=2, 3.0/294=1 HE2 LYS 26 - HB2 LYS 31 lone 2 93 25 8 4.9-11.4 6338/6331=2, 3.0/294=1 HE3 LYS 26 - HB2 LYS 24 far 0 97 0 - 7.4-9.9 HE3 LYS 19 - HB2 LYS 24 far 0 99 0 - 7.5-17.7 HE2 LYS 24 - HB2 LYS 19 far 0 100 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.8-17.5 HE3 LYS 19 - HB2 LYS 31 far 0 95 0 - 7.9-25.8 HE3 LYS 86 - HB2 LYS 19 far 0 100 0 - 8.3-35.8 HE2 LYS 26 - HB2 LYS 24 far 0 97 0 - 8.3-10.9 HE2 LYS 24 - HB2 LYS 31 far 0 97 0 - 8.4-21.1 HE2 LYS 19 - HB2 LYS 31 far 0 97 0 - 8.4-24.2 HE3 LYS 36 - HB2 LYS 31 far 0 97 0 - 8.4-11.9 HE3 LYS 26 - HB2 LYS 19 far 0 98 0 - 8.5-20.9 HE2 LYS 36 - HB2 LYS 31 far 0 97 0 - 8.8-11.9 HE2 LYS 26 - HB2 LYS 19 far 0 98 0 - 9.3-21.9 HE3 LYS 24 - HB2 LYS 31 far 0 97 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 257 from cnoeabs.peaks (2.96, 1.75, 32.77 ppm; 6.80 A): 8 out of 29 assignments used, quality = 1.00: * HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.5-4.5 5.1=100 HE3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 3.5-5.0 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 4.2-5.5 4.8=100 HE2 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.9-4.6 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.2-5.4 5.1=100 HE2 LYS 31 + HB2 LYS 31 OK 97 97 100 100 2.4-5.5 4.8=100 HE2 LYS 24 + HB2 LYS 24 OK 97 97 100 100 3.6-5.5 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 97 97 100 100 3.0-5.1 4.8=100 HE3 LYS 31 - HB2 LYS 19 far 5 100 5 - 6.4-27.0 HE3 LYS 24 - HB2 LYS 19 far 5 100 5 - 6.8-15.7 HE2 LYS 31 - HB2 LYS 19 far 5 100 5 - 7.3-27.4 HE2 LYS 31 - HB2 LYS 26 far 5 100 5 - 6.8-15.8 HE3 LYS 31 - HB2 LYS 26 far 5 100 5 - 6.6-15.7 HE3 LYS 26 - HB2 LYS 31 lone 2 97 25 8 4.4-12.1 6337/6331=2, 3.0/294=1 HE2 LYS 26 - HB2 LYS 31 lone 2 97 25 8 4.9-11.4 6338/6331=2, 3.0/294=1 HE3 LYS 26 - HB2 LYS 24 far 0 99 0 - 7.4-9.9 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.5-17.7 HE2 LYS 24 - HB2 LYS 19 far 0 98 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 99 0 - 7.8-17.5 HE3 LYS 19 - HB2 LYS 31 far 0 97 0 - 7.9-25.8 HE3 LYS 86 - HB2 LYS 19 far 0 100 0 - 8.3-35.8 HE2 LYS 26 - HB2 LYS 24 far 0 99 0 - 8.3-10.9 HE2 LYS 24 - HB2 LYS 31 far 0 93 0 - 8.4-21.1 HE2 LYS 19 - HB2 LYS 31 far 0 95 0 - 8.4-24.2 HE3 LYS 36 - HB2 LYS 31 far 0 97 0 - 8.4-11.9 HE3 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.5-20.9 HE2 LYS 36 - HB2 LYS 31 far 0 95 0 - 8.8-11.9 HE2 LYS 26 - HB2 LYS 19 far 0 100 0 - 9.3-21.9 HE3 LYS 24 - HB2 LYS 31 far 0 97 0 - 9.9-21.4 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 9 assignments used, quality = 1.00: * H VAL 20 + HB2 LYS 19 OK 100 100 100 100 3.5-4.2 6161=100, 6162/1.8=85...(15) H VAL 20 - HB2 LYS 24 far 0 100 0 - 6.3-12.4 H CYS 79 - HB2 LYS 19 far 0 83 0 - 6.9-32.8 H VAL 20 - HB2 LYS 31 far 0 97 0 - 7.1-21.7 HD22 ASN 85 - HB2 LYS 39 far 0 40 0 - 7.4-13.1 H TYR 76 - HB2 LYS 19 far 0 83 0 - 8.7-34.0 H CYS 79 - HB2 LYS 39 far 0 39 0 - 9.0-11.4 H TYR 76 - HB2 LYS 39 far 0 39 0 - 9.6-11.3 H SER 130 - HB2 LYS 39 far 0 27 0 - 9.6-11.1 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 21 assignments used, quality = 1.00: * H LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.5-3.6 6149/1.8=85, 3.9=66...(34) H LYS 24 + HB3 LYS 24 OK 82 82 100 100 2.7-3.9 3.0/482=65, 6221=61...(20) H LYS 26 + HB3 LYS 26 OK 73 74 100 99 2.8-3.7 6250/1.8=64, 4.0=61...(30) H LYS 86 + HB2 LYS 86 OK 63 64 100 98 2.3-3.5 4.0=64, 7140/1.8=58...(14) H ALA 28 - HB3 LYS 26 poor 14 72 30 66 2.4-5.6 4.6/6263=32...(8) H LYS 24 - HB3 LYS 19 far 0 83 0 - 4.8-11.3 H GLY 17 - HB3 LYS 19 far 0 60 0 - 4.9-9.0 H LYS 24 - HB3 LYS 31 far 0 83 0 - 5.6-19.3 H LYS 26 - HB3 LYS 31 far 0 81 0 - 5.8-14.3 H LYS 26 - HB3 LYS 24 far 0 79 0 - 6.0-7.0 H ALA 28 - HB3 LYS 31 far 0 78 0 - 6.5-8.8 H GLY 17 - HB2 LYS 86 far 0 34 0 - 7.3-38.8 H ALA 28 - HB3 LYS 24 far 0 77 0 - 7.4-12.9 H LYS 26 - HB3 LYS 19 far 0 81 0 - 7.6-16.8 H LYS 19 - HB3 LYS 31 far 0 100 0 - 7.8-25.7 H GLY 14 - HB2 LYS 86 far 0 55 0 - 7.9-40.3 H LYS 19 - HB3 LYS 24 far 0 100 0 - 8.3-15.4 H LYS 24 - HB3 LYS 26 far 0 76 0 - 8.5-9.6 H GLY 14 - HB3 LYS 19 far 0 89 0 - 8.9-18.1 H LYS 26 - HB2 LYS 36 far 0 75 0 - 9.6-14.7 H TYR 72 - HB2 LYS 36 far 0 61 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 260 from cnoeabs.peaks (4.27, 1.81, 32.77 ppm; 3.29 A): 5 out of 57 assignments used, quality = 1.00: * HA LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.5-2.7 3.0=100 HA LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.5-2.6 3.0=100 HA LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.3-3.0 3.0=100 HA LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.2-2.9 3.0=100 HA PHE 87 + HB2 LYS 86 OK 32 68 50 93 3.8-5.6 2.9/7156=36, ~7157=26...(17) HA ALA 28 - HB3 LYS 26 far 0 54 0 - 4.0-7.0 HA THR 25 - HB3 LYS 24 far 0 72 0 - 4.0-5.1 HA GLN 27 - HB3 LYS 26 far 0 69 0 - 4.1-5.2 HA ARG 23 - HB3 LYS 31 far 0 85 0 - 4.2-18.0 HA LYS 26 - HB3 LYS 31 far 0 100 0 - 4.5-12.4 HA LYS 31 - HB3 LYS 26 far 0 92 0 - 4.5-10.2 HA ALA 21 - HB3 LYS 24 far 0 75 0 - 4.9-10.5 HA ARG 23 - HB3 LYS 24 far 0 84 0 - 5.0-6.4 HA THR 25 - HB3 LYS 26 far 0 67 0 - 5.0-5.9 HA LEU 22 - HB3 LYS 24 far 0 100 0 - 5.3-7.5 HA ARG 23 - HB3 LYS 19 far 0 85 0 - 5.5-10.2 HA LYS 19 - HB3 LYS 24 far 0 100 0 - 5.5-13.9 HA LYS 31 - HB3 LYS 19 far 0 97 0 - 5.6-24.7 HA ARG 84 - HB2 LYS 86 far 0 52 0 - 5.6-6.3 HA LYS 19 - HB3 LYS 31 far 0 100 0 - 5.7-24.3 HA ALA 16 - HB3 LYS 19 far 0 98 0 - 5.7-10.7 HA SER 74 - HB3 LYS 19 far 0 73 0 - 5.9-33.4 HA THR 25 - HB3 LYS 19 far 0 73 0 - 6.3-15.9 HA ALA 12 - HB3 LYS 19 far 0 87 0 - 6.3-23.2 HA THR 18 - HB3 LYS 19 far 0 71 0 - 6.4-6.6 HA ALA 15 - HB3 LYS 19 far 0 87 0 - 6.5-13.8 HA LYS 26 - HB3 LYS 24 far 0 100 0 - 6.7-8.2 HA GLN 27 - HB3 LYS 31 far 0 76 0 - 7.1-11.4 HA ALA 21 - HB2 LYS 86 far 0 45 0 - 7.1-31.4 HA ALA 21 - HB3 LYS 19 far 0 76 0 - 7.2-8.0 HA SER 74 - HB3 LYS 24 far 0 72 0 - 7.3-23.2 HA THR 18 - HB2 LYS 86 far 0 41 0 - 7.4-35.1 HA LEU 22 - HB3 LYS 31 far 0 100 0 - 7.4-21.9 HA THR 25 - HB3 LYS 31 far 0 73 0 - 7.6-16.2 HA LEU 22 - HB3 LYS 19 far 0 100 0 - 7.6-9.6 HA LYS 26 - HB3 LYS 19 far 0 100 0 - 7.7-15.6 HA LYS 31 - HB2 LYS 36 far 0 93 0 - 7.8-9.5 HA GLN 27 - HB3 LYS 19 far 0 76 0 - 8.1-19.6 HA ARG 23 - HB3 LYS 26 far 0 78 0 - 8.1-10.1 HA LEU 22 - HB3 LYS 26 far 0 96 0 - 8.2-13.9 HA ALA 16 - HB2 LYS 86 far 0 64 0 - 8.3-40.6 HA ALA 21 - HB3 LYS 31 far 0 76 0 - 8.4-23.5 HA SER 74 - HB2 LYS 86 far 0 43 0 - 8.4-10.0 HA LYS 36 - HB3 LYS 26 far 0 94 0 - 8.7-14.1 HA THR 25 - HB2 LYS 36 far 0 68 0 - 9.0-16.2 HA ALA 28 - HB3 LYS 31 far 0 60 0 - 9.0-10.2 HA ALA 15 - HB2 LYS 86 far 0 53 0 - 9.0-41.5 HA THR 18 - HB3 LYS 24 far 0 70 0 - 9.0-14.7 HA GLN 27 - HB3 LYS 24 far 0 75 0 - 9.2-10.6 HA ALA 28 - HB3 LYS 24 far 0 59 0 - 9.3-14.5 HA ALA 12 - HB3 LYS 31 far 0 87 0 - 9.4-38.7 HA LYS 26 - HB2 LYS 36 far 0 97 0 - 9.4-16.2 HA THR 18 - HB3 LYS 31 far 0 71 0 - 9.5-26.0 HA ALA 16 - HB3 LYS 31 far 0 98 0 - 9.6-28.5 HA ALA 12 - HB2 LYS 86 far 0 53 0 - 9.6-40.8 HA PHE 87 - HB3 LYS 19 far 0 100 0 - 9.8-38.8 HA LEU 22 - HB2 LYS 86 far 0 69 0 - 9.9-28.1 Violated in 0 structures by 0.00 A. Peak 261 from cnoeabs.peaks (1.75, 1.81, 32.77 ppm; 2.50 A): 4 out of 27 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 far 6 60 10 - 3.0-5.2 HB2 LYS 31 - HB3 LYS 26 far 5 94 5 - 2.8-9.8 HB2 LYS 26 - HB3 LYS 31 far 0 100 0 - 3.3-12.5 HB2 ARG 23 - HB3 LYS 19 far 0 100 0 - 4.0-9.5 HB2 LYS 24 - HB3 LYS 19 far 0 100 0 - 4.2-14.4 HG3 ARG 90 - HB2 LYS 86 far 0 53 0 - 4.4-7.4 HB2 ARG 23 - HB3 LYS 31 far 0 100 0 - 5.4-20.0 HB2 LYS 31 - HB3 LYS 19 far 0 99 0 - 6.3-22.1 HB2 ARG 23 - HB3 LYS 24 far 0 99 0 - 6.3-7.9 HB2 LYS 19 - HB3 LYS 31 far 0 100 0 - 6.5-25.3 HB2 LYS 19 - HB3 LYS 24 far 0 100 0 - 6.6-15.6 HG3 ARG 90 - HB3 LYS 19 far 0 87 0 - 7.1-35.7 HB2 LYS 24 - HB3 LYS 31 far 0 100 0 - 7.9-19.1 HB2 LYS 31 - HB3 LYS 24 far 0 98 0 - 7.9-18.7 HB2 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.1-9.9 HB ILE 80 - HB3 LYS 19 far 0 95 0 - 8.3-34.8 HB2 LYS 26 - HB2 LYS 36 far 0 97 0 - 8.3-14.6 HB2 LYS 24 - HB3 LYS 26 far 0 96 0 - 8.6-10.2 HB2 ARG 23 - HB3 LYS 26 far 0 95 0 - 8.8-12.3 HB2 LYS 31 - HB2 LYS 36 far 0 95 0 - 9.1-11.4 HB2 ARG 23 - HB2 LYS 86 far 0 67 0 - 9.5-29.3 HB2 LYS 19 - HB2 LYS 86 far 0 69 0 - 9.5-37.3 HB2 LYS 26 - HB3 LYS 19 far 0 100 0 - 9.7-17.7 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): 5 out of 37 assignments used, quality = 1.00: * HG2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.7-2.8 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 91 91 100 100 2.4-3.0 2.9=100 HG2 LYS 36 + HB2 LYS 36 OK 85 85 100 100 2.7-2.9 3.0=100 HG3 LYS 26 + HB3 LYS 26 OK 82 82 100 100 2.5-3.0 3.0=100 HG3 LYS 31 + HB3 LYS 31 OK 68 68 100 100 2.2-3.0 3.0=100 QB ALA 28 - HB3 LYS 26 far 8 78 10 - 3.7-6.5 QB ALA 29 - HB3 LYS 26 far 0 84 0 - 4.0-7.6 HG3 LYS 31 - HB3 LYS 19 far 0 68 0 - 4.5-24.5 QB ALA 21 - HB2 LYS 86 far 0 45 0 - 4.9-26.9 QB ALA 29 - HB2 LYS 36 far 0 85 0 - 5.0-8.1 HG3 LYS 31 - HB3 LYS 26 far 0 62 0 - 5.1-11.5 QB ALA 15 - HB3 LYS 19 far 0 87 0 - 5.1-12.8 QB ALA 21 - HB3 LYS 24 far 0 75 0 - 5.2-9.7 HG3 LYS 26 - HB3 LYS 31 far 0 89 0 - 5.2-13.1 QB ALA 21 - HB3 LYS 19 far 0 76 0 - 5.9-6.6 HG2 LYS 24 - HB3 LYS 19 far 0 92 0 - 5.9-12.2 QB ALA 12 - HB3 LYS 31 far 0 100 0 - 6.1-32.3 QB ALA 28 - HB3 LYS 31 far 0 85 0 - 6.3-7.6 QB ALA 28 - HB3 LYS 24 far 0 84 0 - 6.4-12.7 QB ALA 15 - HB2 LYS 86 far 0 53 0 - 6.7-33.6 HG2 LYS 19 - HB3 LYS 31 far 0 100 0 - 6.7-24.1 QB ALA 12 - HB3 LYS 19 far 0 100 0 - 6.9-20.3 QB ALA 29 - HB3 LYS 31 far 0 90 0 - 7.0-7.7 QB ALA 21 - HB3 LYS 31 far 0 76 0 - 7.1-20.5 HG3 LYS 31 - HB2 LYS 36 far 0 63 0 - 7.5-12.4 HG3 LYS 26 - HB3 LYS 24 far 0 88 0 - 7.5-8.6 QB ALA 12 - HB2 LYS 86 far 0 67 0 - 7.7-34.0 HG2 LYS 24 - HB3 LYS 31 far 0 92 0 - 7.8-20.3 QB ALA 29 - HB3 LYS 24 far 0 89 0 - 7.8-14.9 HG3 LYS 26 - HB3 LYS 19 far 0 89 0 - 7.9-18.0 HG2 LYS 19 - HB3 LYS 24 far 0 100 0 - 8.1-14.8 QB ALA 21 - HB3 LYS 26 far 0 69 0 - 8.3-13.9 HG3 LYS 26 - HB2 LYS 36 far 0 83 0 - 8.6-13.7 HG2 LYS 19 - HB2 LYS 86 far 0 69 0 - 8.6-36.4 HG3 LYS 31 - HB3 LYS 24 far 0 67 0 - 8.9-20.1 QB ALA 12 - HB2 LYS 36 far 0 96 0 - 9.6-35.7 QB ALA 28 - HB2 LYS 36 far 0 79 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 264 from cnoeabs.peaks (1.44, 1.81, 32.77 ppm; 3.62 A): 7 out of 31 assignments used, quality = 1.00: * HG3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.2-2.2 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.4-2.7 2.9=100 HG2 LYS 26 + HB3 LYS 26 OK 91 91 100 100 2.3-3.0 3.0=100 HG3 LYS 36 + HB2 LYS 36 OK 71 71 100 100 2.2-2.9 3.0=100 HG2 LYS 86 + HB2 LYS 86 OK 45 45 100 100 2.3-2.7 3.0=100 HG13 ILE 32 + HB3 LYS 26 OK 32 95 40 84 3.2-5.7 1.8/913=25, 2.1/929=22...(20) HG2 LYS 26 - HB3 LYS 31 far 10 97 10 - 3.5-12.8 HG2 LYS 31 - HB3 LYS 26 far 0 96 0 - 5.1-12.2 QB ALA 34 - HB2 LYS 36 far 0 66 0 - 5.4-6.8 HG13 ILE 32 - HB3 LYS 31 far 0 100 0 - 5.5-6.8 HG2 LYS 31 - HB3 LYS 19 far 0 100 0 - 5.6-22.9 HG3 LYS 24 - HB3 LYS 19 far 0 100 0 - 5.6-13.8 QB ALA 34 - HB3 LYS 26 far 0 64 0 - 6.0-8.6 HG3 LYS 19 - HB3 LYS 31 far 0 100 0 - 6.3-24.1 QB ALA 34 - HB3 LYS 19 far 0 71 0 - 6.8-21.7 QB ALA 34 - HB3 LYS 24 far 0 70 0 - 7.1-14.4 HG13 ILE 32 - HB2 LYS 36 far 0 96 0 - 7.2-9.3 HG2 LYS 26 - HB3 LYS 24 far 0 96 0 - 7.5-10.2 HG3 LYS 19 - HB2 LYS 86 far 0 69 0 - 7.6-37.3 HG3 LYS 19 - HB3 LYS 24 far 0 100 0 - 7.9-15.5 HG2 LYS 86 - HB3 LYS 19 far 0 76 0 - 8.2-35.0 HG2 LYS 26 - HB2 LYS 36 far 0 92 0 - 8.3-12.6 HG3 LYS 24 - HB3 LYS 31 far 0 100 0 - 8.8-21.0 HG2 LYS 31 - HB2 LYS 36 far 0 97 0 - 9.0-11.1 QB ALA 92 - HB2 LYS 86 far 0 59 0 - 9.0-9.9 HG2 LYS 31 - HB3 LYS 24 far 0 100 0 - 9.1-21.2 QB ALA 34 - HB3 LYS 31 far 0 71 0 - 9.3-10.0 HG2 LYS 26 - HB3 LYS 19 far 0 97 0 - 9.5-18.7 HG3 LYS 19 - HB3 LYS 26 far 0 96 0 - 9.9-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 99 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 265 from cnoeabs.peaks (1.65, 1.81, 32.77 ppm; 3.91 A): 12 out of 49 assignments used, quality = 1.00: HD3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.3-4.2 3.9=98, 6.2/6150=15...(78) * HD2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.5-4.1 3.9=98, 6.2/6150=15...(79) HD3 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.1-4.1 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.1-3.7 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.0-3.8 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 95 95 100 100 2.5-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 93 93 100 100 2.0-3.3 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 91 91 100 100 2.0-3.2 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 75 75 100 100 2.0-3.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 75 75 100 100 3.0-4.0 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 64 64 100 100 2.5-2.9 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 64 64 100 100 3.5-3.8 3.5=100 HD3 LYS 26 - HB3 LYS 31 far 10 98 10 - 3.5-10.7 HD3 LYS 31 - HB3 LYS 19 far 5 97 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 19 far 5 96 5 - 3.4-23.3 HD2 LYS 26 - HB3 LYS 31 far 0 97 0 - 4.7-11.2 HG3 ARG 23 - HB3 LYS 19 far 0 76 0 - 5.6-11.1 HD2 LYS 31 - HB3 LYS 26 far 0 90 0 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 94 0 - 6.1-12.6 HG3 ARG 23 - HB3 LYS 26 far 0 69 0 - 6.2-12.8 QB ALA 88 - HB2 LYS 86 far 0 61 0 - 6.3-6.9 HG3 ARG 23 - HB3 LYS 24 far 0 75 0 - 6.3-8.1 HD2 LYS 26 - HB2 LYS 36 far 0 92 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 97 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 96 0 - 6.8-14.4 HG3 ARG 23 - HB3 LYS 31 far 0 76 0 - 6.8-19.8 HD2 LYS 86 - HB3 LYS 19 far 0 97 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 91 0 - 6.8-12.2 HG2 ARG 84 - HB2 LYS 86 far 0 61 0 - 7.2-8.5 HD3 LYS 86 - HB3 LYS 19 far 0 97 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 100 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 92 0 - 8.1-12.5 HG3 ARG 84 - HB2 LYS 86 far 0 61 0 - 8.2-9.7 HD2 LYS 31 - HB2 LYS 36 far 0 91 0 - 8.3-12.3 HD3 LYS 19 - HB2 LYS 86 far 0 69 0 - 8.4-38.5 HD2 LYS 19 - HB3 LYS 31 far 0 100 0 - 8.4-26.6 HG3 ARG 23 - HB2 LYS 36 far 0 71 0 - 8.7-21.9 HD3 LYS 26 - HB3 LYS 24 far 0 97 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 100 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 96 0 - 8.8-11.0 HG3 ARG 23 - HB2 LYS 86 far 0 45 0 - 8.8-27.6 HD2 LYS 36 - HB3 LYS 31 far 0 81 0 - 9.3-10.5 HD2 LYS 19 - HB2 LYS 86 far 0 69 0 - 9.3-38.4 HD3 LYS 24 - HB3 LYS 26 far 0 91 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 98 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 97 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 74 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 96 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 266 from cnoeabs.peaks (1.65, 1.81, 32.77 ppm; 3.91 A): 12 out of 49 assignments used, quality = 1.00: * HD3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.3-4.2 3.9=98, 6.2/6150=15...(78) HD2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.5-4.1 3.9=98, 6.2/6150=15...(79) HD3 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.1-4.1 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.1-3.7 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.0-3.8 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 95 95 100 100 2.5-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 93 93 100 100 2.0-3.3 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 91 91 100 100 2.0-3.2 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 75 75 100 100 2.0-3.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 75 75 100 100 3.0-4.0 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 64 64 100 100 2.5-2.9 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 64 64 100 100 3.5-3.8 3.5=100 HD3 LYS 26 - HB3 LYS 31 far 10 98 10 - 3.5-10.7 HD3 LYS 31 - HB3 LYS 19 far 5 97 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 19 far 5 96 5 - 3.4-23.3 HD2 LYS 26 - HB3 LYS 31 far 0 97 0 - 4.7-11.2 HG3 ARG 23 - HB3 LYS 19 far 0 76 0 - 5.6-11.1 HD2 LYS 31 - HB3 LYS 26 far 0 90 0 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 94 0 - 6.1-12.6 HG3 ARG 23 - HB3 LYS 26 far 0 69 0 - 6.2-12.8 QB ALA 88 - HB2 LYS 86 far 0 61 0 - 6.3-6.9 HG3 ARG 23 - HB3 LYS 24 far 0 75 0 - 6.3-8.1 HD2 LYS 26 - HB2 LYS 36 far 0 92 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 97 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 96 0 - 6.8-14.4 HG3 ARG 23 - HB3 LYS 31 far 0 76 0 - 6.8-19.8 HD2 LYS 86 - HB3 LYS 19 far 0 97 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 91 0 - 6.8-12.2 HG2 ARG 84 - HB2 LYS 86 far 0 61 0 - 7.2-8.5 HD3 LYS 86 - HB3 LYS 19 far 0 97 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 100 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 92 0 - 8.1-12.5 HG3 ARG 84 - HB2 LYS 86 far 0 61 0 - 8.2-9.7 HD2 LYS 31 - HB2 LYS 36 far 0 91 0 - 8.3-12.3 HD3 LYS 19 - HB2 LYS 86 far 0 69 0 - 8.4-38.5 HD2 LYS 19 - HB3 LYS 31 far 0 100 0 - 8.4-26.6 HG3 ARG 23 - HB2 LYS 36 far 0 71 0 - 8.7-21.9 HD3 LYS 26 - HB3 LYS 24 far 0 97 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 100 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 96 0 - 8.8-11.0 HG3 ARG 23 - HB2 LYS 86 far 0 45 0 - 8.8-27.6 HD2 LYS 36 - HB3 LYS 31 far 0 81 0 - 9.3-10.5 HD2 LYS 19 - HB2 LYS 86 far 0 69 0 - 9.3-38.4 HD3 LYS 24 - HB3 LYS 26 far 0 91 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 98 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 97 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 74 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 96 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 267 from cnoeabs.peaks (2.96, 1.81, 32.77 ppm; 6.80 A): 11 out of 37 assignments used, quality = 1.00: * HE2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.3-5.4 5.1=100 HE2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.0-5.0 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.4-4.6 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 99 99 100 100 3.2-5.4 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.0-5.3 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.2-5.0 4.8=100 HE2 LYS 36 + HB2 LYS 36 OK 97 97 100 100 3.5-4.5 4.9=100 HE3 LYS 36 + HB2 LYS 36 OK 97 97 100 100 2.8-4.2 4.9=100 HE2 LYS 26 + HB3 LYS 26 OK 93 93 100 100 3.6-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 93 93 100 100 3.7-4.6 4.8=100 HE3 LYS 86 + HB2 LYS 86 OK 69 69 100 100 1.8-3.6 4.9=100 HE3 LYS 26 - HB3 LYS 31 far 15 98 15 - 6.0-13.3 HE2 LYS 26 - HB3 LYS 31 far 15 98 15 - 6.3-12.4 HE2 LYS 26 - HB2 LYS 36 far 9 94 10 - 5.4-11.8 HE3 LYS 24 - HB3 LYS 19 far 5 100 5 - 5.6-14.9 HE3 LYS 86 - HB3 LYS 19 far 5 100 5 - 6.9-34.7 HE2 LYS 24 - HB3 LYS 19 far 5 100 5 - 6.7-14.4 HE2 LYS 31 - HB3 LYS 19 far 5 99 5 - 5.6-25.7 HE3 LYS 31 - HB3 LYS 19 far 5 98 5 - 4.9-25.2 HE3 LYS 26 - HB3 LYS 19 far 5 98 5 - 7.3-19.5 HE2 LYS 31 - HB3 LYS 26 far 5 95 5 - 6.8-14.2 HE3 LYS 26 - HB2 LYS 36 far 5 94 5 - 7.1-12.9 HE3 LYS 31 - HB3 LYS 26 far 5 93 5 - 6.5-14.0 HE3 LYS 19 - HB2 LYS 86 far 3 67 5 - 7.1-39.5 HE3 LYS 26 - HB3 LYS 24 far 0 97 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 96 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 98 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 99 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 100 0 - 8.2-25.8 HE2 LYS 19 - HB2 LYS 86 far 0 69 0 - 8.2-39.5 HE2 LYS 26 - HB3 LYS 24 far 0 97 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 94 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 99 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 100 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 100 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 100 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 268 from cnoeabs.peaks (2.96, 1.81, 32.77 ppm; 6.80 A): 11 out of 37 assignments used, quality = 1.00: HE2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-5.3 4.8=100 * HE3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.2-5.4 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-5.0 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.4-4.6 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 99 99 100 100 3.3-5.4 5.1=100 HE2 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.0-5.0 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 97 97 100 100 2.8-4.2 4.9=100 HE2 LYS 26 + HB3 LYS 26 OK 96 96 100 100 3.6-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 96 96 100 100 3.7-4.6 4.8=100 HE2 LYS 36 + HB2 LYS 36 OK 95 95 100 100 3.5-4.5 4.9=100 HE3 LYS 86 + HB2 LYS 86 OK 67 67 100 100 1.8-3.6 4.9=100 HE3 LYS 26 - HB3 LYS 31 far 15 100 15 - 6.0-13.3 HE2 LYS 26 - HB3 LYS 31 far 15 100 15 - 6.3-12.4 HE2 LYS 26 - HB2 LYS 36 far 10 97 10 - 5.4-11.8 HE3 LYS 31 - HB3 LYS 19 far 5 100 5 - 4.9-25.2 HE2 LYS 31 - HB3 LYS 19 far 5 100 5 - 5.6-25.7 HE3 LYS 24 - HB3 LYS 19 far 5 100 5 - 5.6-14.9 HE3 LYS 26 - HB3 LYS 19 far 5 100 5 - 7.3-19.5 HE3 LYS 86 - HB3 LYS 19 far 5 100 5 - 6.9-34.7 HE2 LYS 24 - HB3 LYS 19 far 5 98 5 - 6.7-14.4 HE3 LYS 26 - HB2 LYS 36 far 5 97 5 - 7.1-12.9 HE2 LYS 31 - HB3 LYS 26 far 5 96 5 - 6.8-14.2 HE3 LYS 31 - HB3 LYS 26 far 5 96 5 - 6.5-14.0 HE3 LYS 19 - HB2 LYS 86 far 3 69 5 - 7.1-39.5 HE3 LYS 26 - HB3 LYS 24 far 0 100 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 97 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 100 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 100 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 99 0 - 8.2-25.8 HE2 LYS 19 - HB2 LYS 86 far 0 67 0 - 8.2-39.5 HE2 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 97 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 100 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 100 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 99 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 98 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.4-12.3 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 11 assignments used, quality = 1.00: * H VAL 20 + HB3 LYS 19 OK 100 100 100 100 2.2-3.8 4.6=100 H CYS 79 - HB2 LYS 86 far 0 50 0 - 6.1-7.7 HD22 ASN 85 - HB2 LYS 86 far 0 52 0 - 6.2-9.4 H VAL 20 - HB3 LYS 31 far 0 100 0 - 6.5-23.3 H CYS 79 - HB3 LYS 19 far 0 83 0 - 7.6-31.4 H VAL 20 - HB2 LYS 86 far 0 69 0 - 7.9-34.7 H VAL 20 - HB3 LYS 24 far 0 100 0 - 8.1-13.1 H TYR 76 - HB3 LYS 19 far 0 83 0 - 8.6-32.6 H CYS 79 - HB3 LYS 24 far 0 82 0 - 9.1-22.3 H TYR 76 - HB2 LYS 36 far 0 77 0 - 9.3-11.5 H TYR 76 - HB2 LYS 86 far 0 50 0 - 9.5-10.4 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 13 assignments used, quality = 1.00: * H LYS 19 + HG2 LYS 19 OK 100 100 100 100 1.9-2.5 6151=100, 6149/3.0=89...(51) H LYS 24 + HG2 LYS 24 OK 57 57 100 100 1.9-3.3 6223/1.8=71, 3.0/483=70...(28) H LYS 26 + HG3 LYS 26 OK 48 48 100 100 1.7-3.0 4.9=75, 6252/1.8=68...(46) H GLY 17 - HG2 LYS 19 poor 15 60 25 - 2.2-6.6 H ALA 28 - HG3 LYS 26 poor 9 46 20 - 4.7-7.8 H LYS 24 - HG2 LYS 19 far 0 83 0 - 6.3-11.2 H LYS 24 - HG3 LYS 26 far 0 49 0 - 7.3-8.8 H LYS 19 - HG2 LYS 24 far 0 77 0 - 7.4-12.9 H GLY 14 - HG2 LYS 19 far 0 89 0 - 7.4-15.8 H ALA 28 - HG2 LYS 24 far 0 53 0 - 7.9-14.2 H LYS 26 - HG2 LYS 24 far 0 55 0 - 8.1-8.5 H TYR 72 - HG2 LYS 36 far 0 25 0 - 8.5-10.3 H LYS 26 - HG2 LYS 19 far 0 81 0 - 9.7-16.7 Violated in 0 structures by 0.00 A. Peak 271 from cnoeabs.peaks (4.27, 1.36, 24.61 ppm; 3.69 A): 5 out of 36 assignments used, quality = 1.00: * HA LYS 19 + HG2 LYS 19 OK 99 100 100 99 3.5-3.6 4.2=70, 3.0/6151=56...(39) HA LYS 26 + HG3 LYS 26 OK 67 68 100 99 2.6-3.7 4.0=76, 2.9/6253=49...(31) HA LYS 36 + HG2 LYS 36 OK 45 45 100 99 3.1-3.3 4.1=71, 3.0/6394=46...(29) HA THR 25 + HG3 LYS 26 OK 35 42 100 83 3.1-4.0 11150=44, 3.6/6253=42...(10) HA LEU 22 + HG2 LYS 24 OK 23 77 60 49 2.7-6.3 2.9/1309=15...(10) HA ARG 23 - HG2 LYS 24 far 9 59 15 - 4.1-5.3 HA ALA 16 - HG2 LYS 19 far 5 98 5 - 3.4-8.5 HA ALA 21 - HG2 LYS 24 far 3 51 5 - 3.3-8.9 HA GLN 27 - HG3 LYS 26 far 0 44 0 - 4.4-6.6 HA THR 18 - HG2 LYS 19 far 0 71 0 - 4.7-5.2 HA LYS 19 - HG2 LYS 24 far 0 77 0 - 4.8-11.2 HA ALA 28 - HG3 LYS 26 far 0 34 0 - 5.4-8.4 HA ALA 15 - HG2 LYS 19 far 0 87 0 - 5.5-11.6 HA ALA 21 - HG2 LYS 19 far 0 76 0 - 6.3-6.9 HA THR 25 - HG2 LYS 24 far 0 49 0 - 6.3-6.5 HA LYS 31 - HG3 LYS 26 far 0 63 0 - 6.6-12.4 HA SER 74 - HG2 LYS 19 far 0 73 0 - 6.7-33.1 HA ARG 23 - HG2 LYS 19 far 0 85 0 - 6.8-10.5 HA ARG 23 - HG3 LYS 26 far 0 51 0 - 6.9-9.9 HA LYS 31 - HG2 LYS 19 far 0 97 0 - 6.9-25.0 HA ALA 12 - HG2 LYS 19 far 0 87 0 - 7.0-21.6 HA LEU 22 - HG3 LYS 26 far 0 68 0 - 7.5-13.1 HA THR 18 - HG2 LYS 24 far 0 47 0 - 7.5-12.7 HA LYS 36 - HG3 LYS 26 far 0 65 0 - 7.8-13.9 HA LEU 22 - HG2 LYS 19 far 0 100 0 - 7.9-9.4 HA LYS 26 - HG2 LYS 24 far 0 77 0 - 8.0-9.2 HA GLN 27 - HG2 LYS 19 far 0 76 0 - 8.7-19.9 HA THR 25 - HG2 LYS 19 far 0 73 0 - 8.7-15.3 HA PHE 87 - HG2 LYS 19 far 0 100 0 - 8.7-38.9 HA ALA 21 - HG3 LYS 26 far 0 44 0 - 8.9-15.7 HA LYS 26 - HG2 LYS 19 far 0 100 0 - 8.9-15.8 HA ALA 28 - HG2 LYS 24 far 0 39 0 - 9.0-15.1 HA THR 18 - HG3 LYS 26 far 0 41 0 - 9.4-18.6 HA LYS 31 - HG2 LYS 24 far 0 72 0 - 9.5-19.9 HA LYS 19 - HG3 LYS 26 far 0 68 0 - 9.9-17.8 HA GLN 27 - HG2 LYS 24 far 0 51 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 272 from cnoeabs.peaks (1.75, 1.36, 24.61 ppm; 3.47 A): 3 out of 16 assignments used, quality = 1.00: * HB2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.9-2.9 3.0=100 HB2 LYS 24 + HG2 LYS 24 OK 77 77 100 100 2.3-3.0 2.9=100 HB2 LYS 26 + HG3 LYS 26 OK 68 68 100 100 2.5-3.0 3.0=100 HB2 LYS 31 - HG3 LYS 26 far 3 65 5 - 4.0-11.8 HB2 ARG 23 - HG2 LYS 24 far 0 76 0 - 4.9-6.7 HB2 ARG 23 - HG2 LYS 19 far 0 100 0 - 5.8-10.2 HB2 LYS 24 - HG2 LYS 19 far 0 100 0 - 6.4-14.3 HG3 ARG 90 - HG2 LYS 19 far 0 87 0 - 6.6-35.6 HB2 LYS 31 - HG2 LYS 24 far 0 74 0 - 6.6-18.9 HB2 LYS 19 - HG2 LYS 24 far 0 77 0 - 6.7-13.0 HB2 ARG 23 - HG3 LYS 26 far 0 67 0 - 6.8-11.8 HB2 LYS 24 - HG3 LYS 26 far 0 67 0 - 7.1-8.9 HB2 LYS 31 - HG2 LYS 19 far 0 99 0 - 7.6-22.5 HB2 LYS 26 - HG2 LYS 24 far 0 77 0 - 9.2-11.0 HB2 LYS 19 - HG3 LYS 26 far 0 68 0 - 9.3-19.3 HB ILE 80 - HG2 LYS 19 far 0 95 0 - 9.7-35.2 Violated in 0 structures by 0.00 A. Peak 273 from cnoeabs.peaks (1.81, 1.36, 24.61 ppm; 3.42 A): 4 out of 23 assignments used, quality = 1.00: * HB3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.7-2.8 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 77 77 100 100 2.4-3.0 2.9=100 HB3 LYS 26 + HG3 LYS 26 OK 65 65 100 100 2.5-3.0 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 47 47 100 100 2.7-2.9 3.0=100 HB3 ARG 23 - HG2 LYS 24 far 0 71 0 - 4.5-6.6 HB3 LYS 31 - HG3 LYS 26 far 0 68 0 - 5.2-13.1 HB3 ARG 23 - HG3 LYS 26 far 0 62 0 - 5.2-11.9 HB ILE 32 - HG3 LYS 26 far 0 66 0 - 5.4-7.7 HB3 LYS 19 - HG2 LYS 24 far 0 77 0 - 5.9-12.2 HB3 LYS 31 - HG2 LYS 19 far 0 100 0 - 6.7-24.1 HB3 ARG 23 - HG2 LYS 19 far 0 97 0 - 7.0-10.5 HB3 LYS 24 - HG3 LYS 26 far 0 68 0 - 7.5-8.6 HB ILE 32 - HG2 LYS 36 far 0 46 0 - 7.6-8.8 HB3 LYS 31 - HG2 LYS 24 far 0 77 0 - 7.8-20.3 HB3 LYS 19 - HG3 LYS 26 far 0 68 0 - 7.9-18.0 HB3 LYS 24 - HG2 LYS 19 far 0 100 0 - 8.1-14.8 HB2 LYS 36 - HG3 LYS 26 far 0 67 0 - 8.6-13.7 HB2 LYS 86 - HG2 LYS 19 far 0 89 0 - 8.6-36.4 HB2 CYS 79 - HG2 LYS 36 far 0 25 0 - 8.7-10.3 HB2 CYS 79 - HG2 LYS 19 far 0 65 0 - 9.5-31.5 HB2 CYS 79 - HG3 LYS 26 far 0 37 0 - 9.7-15.8 HB2 CYS 79 - HG2 LYS 24 far 0 43 0 - 9.7-23.7 HB VAL 93 - HG2 LYS 19 far 0 90 0 - 9.8-38.5 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 19 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 QB ALA 34 - HG3 LYS 26 far 0 41 0 - 4.6-8.5 HG13 ILE 32 - HG3 LYS 26 far 0 67 0 - 4.7-7.3 HG2 LYS 31 - HG3 LYS 26 far 0 68 0 - 5.9-14.2 HG2 LYS 31 - HG2 LYS 19 far 0 100 0 - 6.2-23.2 QB ALA 34 - HG2 LYS 36 far 0 27 0 - 6.3-6.8 HG2 LYS 31 - HG2 LYS 24 far 0 77 0 - 7.5-21.3 HG3 LYS 24 - HG2 LYS 19 far 0 100 0 - 7.6-13.9 HG3 LYS 19 - HG2 LYS 24 far 0 77 0 - 8.0-13.2 HG3 LYS 19 - HG3 LYS 26 far 0 68 0 - 8.4-18.3 QB ALA 34 - HG2 LYS 24 far 0 47 0 - 8.5-15.1 HG2 LYS 86 - HG2 LYS 19 far 0 76 0 - 8.9-35.3 QB ALA 34 - HG2 LYS 19 far 0 71 0 - 8.9-21.8 HG2 LYS 26 - HG2 LYS 24 far 0 71 0 - 9.0-11.7 HG3 LYS 24 - HG3 LYS 26 far 0 68 0 - 9.1-10.6 HG13 ILE 32 - HG2 LYS 36 far 0 47 0 - 9.9-10.8 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 30 assignments used, quality = 1.00: * HD2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.2-2.7 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 71 71 100 100 2.4-3.0 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 2.6-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 62 62 100 100 2.3-3.0 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 32 32 100 100 2.2-2.3 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 32 32 100 100 2.7-2.9 3.0=100 HD3 LYS 31 - HG2 LYS 19 far 5 97 5 - 3.6-23.8 HG3 ARG 23 - HG2 LYS 24 far 3 51 5 - 3.4-7.2 HG3 ARG 23 - HG3 LYS 26 far 0 44 0 - 4.8-11.8 HD2 LYS 31 - HG2 LYS 19 far 0 96 0 - 4.9-23.9 HG3 ARG 23 - HG2 LYS 19 far 0 76 0 - 6.7-10.8 HD3 LYS 31 - HG3 LYS 26 far 0 62 0 - 6.8-14.4 HD2 LYS 31 - HG3 LYS 26 far 0 61 0 - 6.9-14.3 HD3 LYS 24 - HG2 LYS 19 far 0 97 0 - 7.5-14.7 HD2 LYS 86 - HG2 LYS 19 far 0 97 0 - 7.8-33.2 HD3 LYS 86 - HG2 LYS 19 far 0 97 0 - 8.2-34.2 HD2 LYS 24 - HG2 LYS 19 far 0 96 0 - 8.4-14.5 HD2 LYS 19 - HG2 LYS 24 far 0 77 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 44 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 43 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 62 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 71 0 - 9.0-21.0 HD2 LYS 36 - HG3 LYS 26 far 0 48 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 73 0 - 9.3-12.6 HD2 LYS 31 - HG2 LYS 24 far 0 69 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 77 0 - 9.5-14.5 HD3 LYS 26 - HG2 LYS 19 far 0 98 0 - 9.8-19.7 HD2 LYS 24 - HG3 LYS 26 far 0 61 0 - 9.8-11.8 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 30 assignments used, quality = 1.00: HD2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.2-2.7 3.0=100 * HD3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 71 71 100 100 2.4-3.0 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 2.6-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 62 62 100 100 2.3-3.0 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 32 32 100 100 2.2-2.3 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 32 32 100 100 2.7-2.9 3.0=100 HD3 LYS 31 - HG2 LYS 19 far 5 97 5 - 3.6-23.8 HG3 ARG 23 - HG2 LYS 24 far 3 51 5 - 3.4-7.2 HG3 ARG 23 - HG3 LYS 26 far 0 44 0 - 4.8-11.8 HD2 LYS 31 - HG2 LYS 19 far 0 96 0 - 4.9-23.9 HG3 ARG 23 - HG2 LYS 19 far 0 76 0 - 6.7-10.8 HD3 LYS 31 - HG3 LYS 26 far 0 62 0 - 6.8-14.4 HD2 LYS 31 - HG3 LYS 26 far 0 61 0 - 6.9-14.3 HD3 LYS 24 - HG2 LYS 19 far 0 97 0 - 7.5-14.7 HD2 LYS 86 - HG2 LYS 19 far 0 97 0 - 7.8-33.2 HD3 LYS 86 - HG2 LYS 19 far 0 97 0 - 8.2-34.2 HD2 LYS 24 - HG2 LYS 19 far 0 96 0 - 8.4-14.5 HD2 LYS 19 - HG2 LYS 24 far 0 77 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 44 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 43 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 62 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 71 0 - 9.0-21.0 HD2 LYS 36 - HG3 LYS 26 far 0 48 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 73 0 - 9.3-12.6 HD2 LYS 31 - HG2 LYS 24 far 0 69 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 77 0 - 9.5-14.5 HD3 LYS 26 - HG2 LYS 19 far 0 98 0 - 9.8-19.7 HD2 LYS 24 - HG3 LYS 26 far 0 61 0 - 9.8-11.8 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 31 assignments used, quality = 1.00: * HE2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.8-3.7 3.8=100 HE3 LYS 19 + HG2 LYS 19 OK 99 99 100 100 2.1-4.1 3.8=100 HE3 LYS 24 + HG2 LYS 24 OK 77 77 100 100 2.0-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 77 77 100 100 2.1-4.1 4.0=100 HE3 LYS 26 + HG3 LYS 26 OK 64 64 100 100 2.0-3.4 3.6=100 HE2 LYS 26 + HG3 LYS 26 OK 64 64 100 100 2.3-3.8 3.6=100 HE2 LYS 36 + HG2 LYS 36 OK 48 48 100 100 3.1-4.1 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 47 47 100 100 3.1-4.2 4.0=100 HE3 LYS 31 - HG2 LYS 19 far 5 98 5 - 4.6-26.0 HE2 LYS 31 - HG2 LYS 19 far 0 99 0 - 6.1-26.2 HE3 LYS 24 - HG2 LYS 19 far 0 100 0 - 6.5-14.6 HE3 LYS 86 - HG2 LYS 19 far 0 100 0 - 6.8-34.9 HE2 LYS 26 - HG2 LYS 36 far 0 44 0 - 7.3-12.6 HE2 LYS 24 - HG2 LYS 19 far 0 100 0 - 8.0-15.1 HE2 LYS 31 - HG3 LYS 26 far 0 66 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 64 0 - 8.6-15.9 HE3 LYS 26 - HG2 LYS 24 far 0 73 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 19 far 0 98 0 - 8.8-19.2 HE3 LYS 26 - HG2 LYS 36 far 0 44 0 - 8.9-13.8 HE2 LYS 26 - HG2 LYS 19 far 0 98 0 - 9.0-20.5 HE2 LYS 19 - HG3 LYS 26 far 0 68 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 75 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 38 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 46 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 75 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 77 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 66 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 67 0 - 9.8-15.3 HE2 LYS 26 - HG2 LYS 24 far 0 73 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 67 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 73 0 - 10.0-22.2 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 31 assignments used, quality = 1.00: * HE3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.1-4.1 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 99 99 100 100 2.8-3.7 3.8=100 HE3 LYS 24 + HG2 LYS 24 OK 77 77 100 100 2.0-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 73 73 100 100 2.1-4.1 4.0=100 HE3 LYS 26 + HG3 LYS 26 OK 67 67 100 100 2.0-3.4 3.6=100 HE2 LYS 26 + HG3 LYS 26 OK 67 67 100 100 2.3-3.8 3.6=100 HE3 LYS 36 + HG2 LYS 36 OK 47 47 100 100 3.1-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 46 46 100 100 3.1-4.1 4.0=100 HE3 LYS 31 - HG2 LYS 19 far 5 100 5 - 4.6-26.0 HE2 LYS 31 - HG2 LYS 19 far 0 100 0 - 6.1-26.2 HE3 LYS 24 - HG2 LYS 19 far 0 100 0 - 6.5-14.6 HE3 LYS 86 - HG2 LYS 19 far 0 100 0 - 6.8-34.9 HE2 LYS 26 - HG2 LYS 36 far 0 47 0 - 7.3-12.6 HE2 LYS 24 - HG2 LYS 19 far 0 98 0 - 8.0-15.1 HE2 LYS 31 - HG3 LYS 26 far 0 68 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 67 0 - 8.6-15.9 HE3 LYS 26 - HG2 LYS 24 far 0 77 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 19 far 0 100 0 - 8.8-19.2 HE3 LYS 26 - HG2 LYS 36 far 0 47 0 - 8.9-13.8 HE2 LYS 26 - HG2 LYS 19 far 0 100 0 - 9.0-20.5 HE2 LYS 19 - HG3 LYS 26 far 0 66 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 77 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 31 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 48 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 77 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 75 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 68 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 67 0 - 9.8-15.3 HE2 LYS 26 - HG2 LYS 24 far 0 77 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 64 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 77 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 281 from cnoeabs.peaks (8.35, 1.44, 24.61 ppm; 4.38 A): 3 out of 18 assignments used, quality = 1.00: * H LYS 19 + HG3 LYS 19 OK 100 100 100 100 3.4-3.7 6151/1.8=92, 6149/3.0=88...(50) H LYS 24 + HG3 LYS 24 OK 82 82 100 100 2.6-3.7 6223=75, 3.0/484=73...(30) H LYS 26 + HG2 LYS 26 OK 65 65 100 100 2.6-3.9 4.9=70, 6253/1.8=67...(52) H ALA 28 - HG2 LYS 26 far 9 63 15 - 3.7-7.8 H GLY 17 - HG3 LYS 19 far 6 60 10 - 3.5-8.2 H LYS 24 - HG2 LYS 31 far 0 78 0 - 5.5-20.1 H LYS 24 - HG3 LYS 19 far 0 83 0 - 6.5-12.1 H LYS 26 - HG2 LYS 31 far 0 76 0 - 6.8-15.7 H GLY 14 - HG3 LYS 19 far 0 89 0 - 6.9-17.3 H LYS 19 - HG3 LYS 24 far 0 100 0 - 7.1-14.6 H LYS 24 - HG2 LYS 26 far 0 67 0 - 7.5-10.2 H LYS 19 - HG2 LYS 31 far 0 98 0 - 7.6-25.0 H ALA 28 - HG3 LYS 24 far 0 78 0 - 8.1-14.8 H LYS 26 - HG3 LYS 24 far 0 80 0 - 8.4-8.8 H ALA 28 - HG2 LYS 31 far 0 74 0 - 8.5-10.5 H LYS 26 - HG3 LYS 19 far 0 81 0 - 8.6-17.2 H LYS 86 - HG3 LYS 19 far 0 98 0 - 9.6-39.5 H GLY 17 - HG2 LYS 31 far 0 56 0 - 9.9-25.5 Violated in 0 structures by 0.00 A. Peak 282 from cnoeabs.peaks (4.27, 1.44, 24.61 ppm; 3.96 A): 4 out of 42 assignments used, quality = 1.00: * HA LYS 19 + HG3 LYS 19 OK 100 100 100 100 4.2-4.2 4.2=86, 3.0/6152=45...(40) HA LYS 31 + HG2 LYS 31 OK 94 94 100 100 2.2-3.7 3.8=100 HA LYS 26 + HG2 LYS 26 OK 88 88 100 100 2.9-4.2 4.0=93, 2.9/6252=62...(31) HA LEU 22 + HG3 LYS 24 OK 40 100 65 62 3.6-7.2 375/821=13, ~1309=13...(12) HA THR 25 - HG2 LYS 26 poor 15 58 25 - 3.4-5.7 HA LYS 19 - HG3 LYS 24 far 5 100 5 - 4.3-12.8 HA ALA 16 - HG3 LYS 19 far 5 98 5 - 4.0-9.6 HA ALA 15 - HG3 LYS 19 far 4 87 5 - 4.4-13.1 HA ARG 23 - HG2 LYS 31 far 4 80 5 - 3.0-18.6 HA ALA 28 - HG2 LYS 26 far 2 47 5 - 4.1-9.0 HA GLN 27 - HG2 LYS 26 far 0 60 0 - 4.7-6.9 HA ARG 23 - HG3 LYS 24 far 0 84 0 - 4.8-6.7 HA ALA 21 - HG3 LYS 24 far 0 75 0 - 5.0-10.5 HA SER 74 - HG3 LYS 19 far 0 73 0 - 5.1-34.0 HA LYS 31 - HG2 LYS 26 far 0 83 0 - 5.1-11.8 HA ALA 12 - HG3 LYS 19 far 0 87 0 - 5.5-22.9 HA LYS 31 - HG3 LYS 19 far 0 97 0 - 6.2-25.0 HA LYS 19 - HG2 LYS 31 far 0 98 0 - 6.3-23.8 HA THR 25 - HG3 LYS 24 far 0 73 0 - 6.4-6.9 HA THR 18 - HG3 LYS 19 far 0 71 0 - 6.4-6.9 HA LYS 26 - HG2 LYS 31 far 0 98 0 - 6.5-13.6 HA ARG 23 - HG2 LYS 26 far 0 69 0 - 6.6-11.4 HA ALA 21 - HG2 LYS 31 far 0 71 0 - 6.7-24.0 HA LEU 22 - HG2 LYS 31 far 0 98 0 - 7.0-21.4 HA ALA 12 - HG2 LYS 31 far 0 82 0 - 7.1-37.0 HA ARG 23 - HG3 LYS 19 far 0 85 0 - 7.2-11.5 HA THR 25 - HG3 LYS 19 far 0 73 0 - 7.7-16.4 HA GLN 27 - HG3 LYS 19 far 0 76 0 - 7.7-20.5 HA ALA 21 - HG3 LYS 19 far 0 76 0 - 7.8-8.4 HA LYS 26 - HG3 LYS 19 far 0 100 0 - 7.8-16.3 HA PHE 87 - HG3 LYS 19 far 0 100 0 - 8.0-39.9 HA LYS 36 - HG2 LYS 26 far 0 85 0 - 8.1-13.8 HA THR 18 - HG3 LYS 24 far 0 70 0 - 8.1-14.4 HA LYS 26 - HG3 LYS 24 far 0 100 0 - 8.4-9.7 HA THR 25 - HG2 LYS 31 far 0 69 0 - 8.5-17.3 HA THR 18 - HG2 LYS 31 far 0 66 0 - 8.8-25.6 HA LEU 22 - HG3 LYS 19 far 0 100 0 - 9.1-10.5 HA GLN 27 - HG2 LYS 31 far 0 71 0 - 9.1-13.1 HA LEU 22 - HG2 LYS 26 far 0 88 0 - 9.1-14.4 HA ALA 16 - HG2 LYS 31 far 0 94 0 - 9.2-27.3 HA ALA 28 - HG3 LYS 24 far 0 60 0 - 9.2-16.3 HA SER 74 - HG3 LYS 24 far 0 73 0 - 9.4-24.1 Violated in 0 structures by 0.00 A. Peak 283 from cnoeabs.peaks (1.75, 1.44, 24.61 ppm; 3.61 A): 4 out of 21 assignments used, quality = 1.00: * HB2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.7-2.8 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 2.2-2.9 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 poor 17 85 20 - 2.4-11.6 HB2 ARG 23 - HG2 LYS 31 far 5 97 5 - 3.0-20.5 HB2 LYS 26 - HG2 LYS 31 far 0 98 0 - 4.5-14.0 HB2 ARG 23 - HG3 LYS 24 far 0 99 0 - 4.8-8.2 HG3 ARG 90 - HG3 LYS 19 far 0 87 0 - 5.3-36.6 HB2 ARG 23 - HG3 LYS 19 far 0 100 0 - 5.8-11.0 HB2 ARG 23 - HG2 LYS 26 far 0 87 0 - 6.1-13.4 HB2 LYS 19 - HG3 LYS 24 far 0 100 0 - 6.1-14.5 HB2 LYS 24 - HG3 LYS 19 far 0 100 0 - 6.3-15.3 HB2 LYS 31 - HG3 LYS 19 far 0 99 0 - 6.6-22.5 HB2 LYS 19 - HG2 LYS 31 far 0 98 0 - 7.2-24.6 HB2 LYS 24 - HG2 LYS 26 far 0 87 0 - 7.3-9.8 HB2 LYS 31 - HG3 LYS 24 far 0 99 0 - 7.4-19.6 HB2 LYS 24 - HG2 LYS 31 far 0 97 0 - 8.1-20.1 HB ILE 80 - HG3 LYS 19 far 0 95 0 - 8.2-35.9 HB2 LYS 26 - HG3 LYS 19 far 0 100 0 - 9.5-17.7 HB2 LYS 26 - HG3 LYS 24 far 0 100 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 284 from cnoeabs.peaks (1.81, 1.44, 24.61 ppm; 3.66 A): 4 out of 28 assignments used, quality = 1.00: * HB3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-2.2 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.4-2.7 2.9=100 HB3 LYS 31 + HG2 LYS 31 OK 98 98 100 100 2.3-3.0 3.0=100 HB3 LYS 26 + HG2 LYS 26 OK 85 85 100 100 2.3-3.0 3.0=100 HB3 LYS 31 - HG2 LYS 26 far 9 88 10 - 3.5-12.8 HB3 ARG 23 - HG3 LYS 24 far 0 96 0 - 4.3-7.9 HB3 ARG 23 - HG2 LYS 31 far 0 93 0 - 4.5-21.6 HB3 ARG 23 - HG2 LYS 26 far 0 82 0 - 4.5-13.3 HB ILE 32 - HG2 LYS 26 far 0 86 0 - 5.1-7.5 HB3 LYS 26 - HG2 LYS 31 far 0 96 0 - 5.1-12.2 HB3 LYS 19 - HG2 LYS 31 far 0 98 0 - 5.6-22.9 HB3 LYS 19 - HG3 LYS 24 far 0 100 0 - 5.6-13.8 HB3 LYS 31 - HG3 LYS 19 far 0 100 0 - 6.3-24.1 HB ILE 32 - HG2 LYS 31 far 0 96 0 - 6.8-8.1 HB3 ARG 23 - HG3 LYS 19 far 0 97 0 - 7.1-11.4 HB3 LYS 24 - HG2 LYS 26 far 0 88 0 - 7.5-10.2 HB2 LYS 86 - HG3 LYS 19 far 0 89 0 - 7.6-37.3 HB3 LYS 24 - HG3 LYS 19 far 0 100 0 - 7.9-15.5 HB2 CYS 79 - HG3 LYS 24 far 0 65 0 - 8.1-24.5 HB2 LYS 36 - HG2 LYS 26 far 0 87 0 - 8.3-12.6 HB2 CYS 79 - HG3 LYS 19 far 0 65 0 - 8.4-32.1 HB VAL 93 - HG3 LYS 19 far 0 90 0 - 8.6-39.5 HB3 LYS 31 - HG3 LYS 24 far 0 100 0 - 8.8-21.0 HB2 LYS 36 - HG2 LYS 31 far 0 97 0 - 9.0-11.1 HB3 LYS 24 - HG2 LYS 31 far 0 98 0 - 9.1-21.2 HB2 CYS 79 - HG2 LYS 26 far 0 51 0 - 9.3-16.4 HB3 LYS 19 - HG2 LYS 26 far 0 88 0 - 9.5-18.7 HB3 LYS 26 - HG3 LYS 19 far 0 99 0 - 9.9-18.0 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 29 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 29 - HG2 LYS 26 far 4 74 5 - 3.0-8.2 QB ALA 15 - HG3 LYS 19 far 0 87 0 - 3.8-11.7 QB ALA 12 - HG2 LYS 31 far 0 97 0 - 4.3-31.0 HG3 LYS 31 - HG2 LYS 26 far 0 54 0 - 4.7-13.7 QB ALA 28 - HG2 LYS 26 far 0 69 0 - 5.0-8.7 HG3 LYS 31 - HG3 LYS 19 far 0 68 0 - 5.7-24.8 QB ALA 21 - HG3 LYS 24 far 0 75 0 - 5.7-9.4 HG3 LYS 26 - HG2 LYS 31 far 0 84 0 - 5.9-14.2 QB ALA 21 - HG3 LYS 19 far 0 76 0 - 6.0-6.9 HG2 LYS 19 - HG2 LYS 31 far 0 98 0 - 6.2-23.2 QB ALA 12 - HG3 LYS 19 far 0 100 0 - 6.3-19.8 QB ALA 28 - HG3 LYS 24 far 0 84 0 - 6.3-14.2 QB ALA 21 - HG2 LYS 31 far 0 71 0 - 6.5-20.2 HG2 LYS 24 - HG2 LYS 31 far 0 87 0 - 7.5-21.3 HG2 LYS 19 - HG3 LYS 24 far 0 100 0 - 7.6-13.9 HG3 LYS 31 - HG3 LYS 24 far 0 68 0 - 7.7-21.4 QB ALA 29 - HG2 LYS 31 far 0 86 0 - 7.9-9.1 QB ALA 21 - HG2 LYS 26 far 0 60 0 - 7.9-14.8 HG2 LYS 24 - HG3 LYS 19 far 0 92 0 - 8.0-13.2 QB ALA 28 - HG2 LYS 31 far 0 80 0 - 8.2-9.6 HG3 LYS 26 - HG3 LYS 19 far 0 89 0 - 8.4-18.3 HG2 LYS 24 - HG2 LYS 26 far 0 76 0 - 9.0-11.7 HG3 LYS 26 - HG3 LYS 24 far 0 88 0 - 9.1-10.6 QB ALA 15 - HG2 LYS 26 far 0 71 0 - 9.1-21.9 QB ALA 29 - HG3 LYS 24 far 0 90 0 - 9.9-16.2 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): 8 out of 36 assignments used, quality = 1.00: HD3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-2.8 3.0=100 * HD2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.9-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 96 96 100 100 2.3-3.0 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 2.2-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 92 92 100 100 2.4-3.0 2.9=100 HD3 LYS 26 + HG2 LYS 26 OK 84 84 100 100 2.2-3.0 2.9=100 HD2 LYS 26 + HG2 LYS 26 OK 82 82 100 100 2.2-3.0 2.9=100 HD3 LYS 31 - HG3 LYS 19 far 5 97 5 - 3.5-23.9 HD2 LYS 31 - HG3 LYS 19 far 5 96 5 - 4.2-23.7 HD3 LYS 26 - HG2 LYS 31 far 5 94 5 - 4.0-11.7 HG3 ARG 23 - HG3 LYS 24 far 4 75 5 - 4.4-8.6 HG3 ARG 23 - HG2 LYS 31 far 0 71 0 - 4.4-20.0 HG3 ARG 23 - HG2 LYS 26 far 0 60 0 - 4.6-13.4 HD3 LYS 31 - HG2 LYS 26 far 0 82 0 - 5.1-14.0 HD2 LYS 31 - HG2 LYS 26 far 0 80 0 - 5.2-13.9 HD2 LYS 26 - HG2 LYS 31 far 0 93 0 - 5.7-12.1 HD2 LYS 86 - HG3 LYS 19 far 0 97 0 - 6.6-34.0 HG3 ARG 23 - HG3 LYS 19 far 0 76 0 - 6.8-11.4 HD3 LYS 86 - HG3 LYS 19 far 0 97 0 - 7.2-35.0 HD3 LYS 24 - HG3 LYS 19 far 0 97 0 - 7.6-15.9 HD2 LYS 19 - HG3 LYS 24 far 0 100 0 - 8.0-16.0 HD2 LYS 36 - HG2 LYS 31 far 0 76 0 - 8.0-10.5 HD3 LYS 24 - HG2 LYS 26 far 0 82 0 - 8.3-12.6 HD2 LYS 24 - HG3 LYS 19 far 0 96 0 - 8.4-15.6 HD3 LYS 19 - HG2 LYS 31 far 0 98 0 - 8.5-25.2 HD2 LYS 19 - HG2 LYS 31 far 0 98 0 - 8.5-25.7 HD3 LYS 26 - HG3 LYS 19 far 0 98 0 - 9.0-20.4 HD3 LYS 36 - HG2 LYS 31 far 0 76 0 - 9.2-11.8 HD2 LYS 36 - HG2 LYS 26 far 0 65 0 - 9.2-12.8 HD3 LYS 19 - HG3 LYS 24 far 0 100 0 - 9.2-16.2 HD2 LYS 24 - HG2 LYS 26 far 0 80 0 - 9.4-13.2 HD2 LYS 26 - HG3 LYS 19 far 0 97 0 - 9.5-19.8 HD2 LYS 86 - HG3 LYS 24 far 0 97 0 - 9.7-25.0 HD3 LYS 31 - HG3 LYS 24 far 0 96 0 - 9.8-22.2 HD2 LYS 24 - HG2 LYS 31 far 0 92 0 - 10.0-23.6 Violated in 0 structures by 0.00 A. Peak 288 from cnoeabs.peaks (1.65, 1.44, 24.61 ppm; 3.82 A): 8 out of 36 assignments used, quality = 1.00: * HD3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-2.8 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.9-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 96 96 100 100 2.3-3.0 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 2.2-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 92 92 100 100 2.4-3.0 2.9=100 HD3 LYS 26 + HG2 LYS 26 OK 84 84 100 100 2.2-3.0 2.9=100 HD2 LYS 26 + HG2 LYS 26 OK 82 82 100 100 2.2-3.0 2.9=100 HD3 LYS 31 - HG3 LYS 19 far 5 97 5 - 3.5-23.9 HD2 LYS 31 - HG3 LYS 19 far 5 96 5 - 4.2-23.7 HD3 LYS 26 - HG2 LYS 31 far 5 94 5 - 4.0-11.7 HG3 ARG 23 - HG3 LYS 24 far 4 75 5 - 4.4-8.6 HG3 ARG 23 - HG2 LYS 31 far 0 71 0 - 4.4-20.0 HG3 ARG 23 - HG2 LYS 26 far 0 60 0 - 4.6-13.4 HD3 LYS 31 - HG2 LYS 26 far 0 82 0 - 5.1-14.0 HD2 LYS 31 - HG2 LYS 26 far 0 80 0 - 5.2-13.9 HD2 LYS 26 - HG2 LYS 31 far 0 93 0 - 5.7-12.1 HD2 LYS 86 - HG3 LYS 19 far 0 97 0 - 6.6-34.0 HG3 ARG 23 - HG3 LYS 19 far 0 76 0 - 6.8-11.4 HD3 LYS 86 - HG3 LYS 19 far 0 97 0 - 7.2-35.0 HD3 LYS 24 - HG3 LYS 19 far 0 97 0 - 7.6-15.9 HD2 LYS 19 - HG3 LYS 24 far 0 100 0 - 8.0-16.0 HD2 LYS 36 - HG2 LYS 31 far 0 76 0 - 8.0-10.5 HD3 LYS 24 - HG2 LYS 26 far 0 82 0 - 8.3-12.6 HD2 LYS 24 - HG3 LYS 19 far 0 96 0 - 8.4-15.6 HD3 LYS 19 - HG2 LYS 31 far 0 98 0 - 8.5-25.2 HD2 LYS 19 - HG2 LYS 31 far 0 98 0 - 8.5-25.7 HD3 LYS 26 - HG3 LYS 19 far 0 98 0 - 9.0-20.4 HD3 LYS 36 - HG2 LYS 31 far 0 76 0 - 9.2-11.8 HD2 LYS 36 - HG2 LYS 26 far 0 65 0 - 9.2-12.8 HD3 LYS 19 - HG3 LYS 24 far 0 100 0 - 9.2-16.2 HD2 LYS 24 - HG2 LYS 26 far 0 80 0 - 9.4-13.2 HD2 LYS 26 - HG3 LYS 19 far 0 97 0 - 9.5-19.8 HD2 LYS 86 - HG3 LYS 24 far 0 97 0 - 9.7-25.0 HD3 LYS 31 - HG3 LYS 24 far 0 96 0 - 9.8-22.2 HD2 LYS 24 - HG2 LYS 31 far 0 92 0 - 10.0-23.6 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 30 assignments used, quality = 1.00: * HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.1-3.9 3.8=100 HE2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.3-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.3-3.9 4.0=100 HE3 LYS 19 + HG3 LYS 19 OK 99 99 100 100 2.2-3.7 3.8=100 HE2 LYS 31 + HG2 LYS 31 OK 96 96 100 100 2.1-4.0 3.7=100 HE3 LYS 31 + HG2 LYS 31 OK 94 94 100 100 2.0-4.2 3.7=100 HE3 LYS 26 + HG2 LYS 26 OK 84 84 100 100 2.2-3.8 3.6=100 HE2 LYS 26 + HG2 LYS 26 OK 84 84 100 100 2.7-4.1 3.6=100 HE3 LYS 31 - HG3 LYS 19 far 5 98 5 - 4.4-25.7 HE2 LYS 31 - HG3 LYS 19 far 0 99 0 - 5.6-26.1 HE3 LYS 86 - HG3 LYS 19 far 0 100 0 - 5.8-35.8 HE3 LYS 26 - HG2 LYS 31 far 0 94 0 - 5.9-14.3 HE2 LYS 26 - HG2 LYS 31 far 0 94 0 - 6.5-13.4 HE2 LYS 31 - HG2 LYS 26 far 0 86 0 - 6.6-15.6 HE3 LYS 31 - HG2 LYS 26 far 0 84 0 - 7.0-15.5 HE3 LYS 24 - HG3 LYS 19 far 0 100 0 - 7.0-15.8 HE3 LYS 26 - HG3 LYS 19 far 0 98 0 - 7.3-20.0 HE3 LYS 36 - HG2 LYS 31 far 0 97 0 - 7.4-12.4 HE2 LYS 26 - HG3 LYS 19 far 0 98 0 - 7.6-21.0 HE3 LYS 19 - HG2 LYS 31 far 0 96 0 - 7.7-26.4 HE2 LYS 36 - HG2 LYS 31 far 0 98 0 - 8.0-11.8 HE2 LYS 19 - HG2 LYS 31 far 0 98 0 - 8.4-24.8 HE2 LYS 24 - HG3 LYS 19 far 0 100 0 - 8.4-15.9 HE3 LYS 19 - HG3 LYS 24 far 0 99 0 - 8.6-17.0 HE2 LYS 24 - HG2 LYS 31 far 0 97 0 - 9.0-23.6 HE2 LYS 19 - HG3 LYS 24 far 0 100 0 - 9.3-16.7 HE3 LYS 26 - HG3 LYS 24 far 0 98 0 - 9.3-11.4 HE2 LYS 26 - HG3 LYS 24 far 0 98 0 - 9.7-13.1 HE3 LYS 86 - HG3 LYS 24 far 0 100 0 - 9.8-26.1 HE3 LYS 36 - HG2 LYS 26 far 0 87 0 - 9.8-14.5 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 30 assignments used, quality = 1.00: * HE3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-3.7 3.8=100 HE3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.3-3.9 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 99 99 100 100 2.1-3.9 3.8=100 HE2 LYS 31 + HG2 LYS 31 OK 98 98 100 100 2.1-4.0 3.7=100 HE2 LYS 24 + HG3 LYS 24 OK 98 98 100 100 2.3-4.0 4.0=100 HE3 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.0-4.2 3.7=100 HE3 LYS 26 + HG2 LYS 26 OK 87 87 100 100 2.2-3.8 3.6=100 HE2 LYS 26 + HG2 LYS 26 OK 87 87 100 100 2.7-4.1 3.6=100 HE3 LYS 31 - HG3 LYS 19 far 5 100 5 - 4.4-25.7 HE2 LYS 31 - HG3 LYS 19 far 0 100 0 - 5.6-26.1 HE3 LYS 86 - HG3 LYS 19 far 0 100 0 - 5.8-35.8 HE3 LYS 26 - HG2 LYS 31 far 0 97 0 - 5.9-14.3 HE2 LYS 26 - HG2 LYS 31 far 0 97 0 - 6.5-13.4 HE2 LYS 31 - HG2 LYS 26 far 0 88 0 - 6.6-15.6 HE3 LYS 31 - HG2 LYS 26 far 0 87 0 - 7.0-15.5 HE3 LYS 24 - HG3 LYS 19 far 0 100 0 - 7.0-15.8 HE3 LYS 26 - HG3 LYS 19 far 0 100 0 - 7.3-20.0 HE3 LYS 36 - HG2 LYS 31 far 0 97 0 - 7.4-12.4 HE2 LYS 26 - HG3 LYS 19 far 0 100 0 - 7.6-21.0 HE3 LYS 19 - HG2 LYS 31 far 0 98 0 - 7.7-26.4 HE2 LYS 36 - HG2 LYS 31 far 0 96 0 - 8.0-11.8 HE2 LYS 19 - HG2 LYS 31 far 0 96 0 - 8.4-24.8 HE2 LYS 24 - HG3 LYS 19 far 0 98 0 - 8.4-15.9 HE3 LYS 19 - HG3 LYS 24 far 0 100 0 - 8.6-17.0 HE2 LYS 24 - HG2 LYS 31 far 0 94 0 - 9.0-23.6 HE2 LYS 19 - HG3 LYS 24 far 0 99 0 - 9.3-16.7 HE3 LYS 26 - HG3 LYS 24 far 0 100 0 - 9.3-11.4 HE2 LYS 26 - HG3 LYS 24 far 0 100 0 - 9.7-13.1 HE3 LYS 86 - HG3 LYS 24 far 0 99 0 - 9.8-26.1 HE3 LYS 36 - HG2 LYS 26 far 0 87 0 - 9.8-14.5 Violated in 0 structures by 0.00 A. Peak 292 from cnoeabs.peaks (8.35, 1.65, 28.90 ppm; 6.80 A): 9 out of 32 assignments used, quality = 1.00: * H LYS 19 + HD2 LYS 19 OK 100 100 100 100 1.9-2.2 6.2=100 H LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.8-3.5 6.2=100 H LYS 26 + HD3 LYS 26 OK 71 71 100 100 2.6-4.9 5.7=100 H LYS 24 + HD3 LYS 24 OK 68 68 100 100 2.0-5.3 5.9=100 H ALA 28 + HD3 LYS 26 OK 67 69 100 98 3.9-7.1 10770/3.5=66...(16) H LYS 26 + HD2 LYS 26 OK 66 66 100 100 3.5-5.5 5.7=100 H LYS 24 + HD2 LYS 24 OK 66 66 100 100 2.7-5.7 5.9=100 H ALA 28 + HD2 LYS 26 OK 63 64 100 97 3.5-6.7 10770/3.5=66...(16) H GLY 17 + HD2 LYS 19 OK 21 60 100 35 2.8-7.0 ~10679=23, ~10667=12 H GLY 17 - HD3 LYS 19 poor 20 60 95 35 2.7-7.6 ~10679=23, ~10667=12 H LYS 19 - HD3 LYS 31 far 4 90 5 - 5.2-25.6 H LYS 19 - HD2 LYS 31 far 4 87 5 - 6.4-25.6 H LYS 26 - HD3 LYS 24 far 3 66 5 - 7.2-9.4 H LYS 26 - HD3 LYS 31 far 3 66 5 - 7.3-15.9 H LYS 26 - HD2 LYS 31 far 0 64 0 - 7.4-15.7 H LYS 24 - HD3 LYS 31 far 0 68 0 - 7.5-19.6 H LYS 24 - HD2 LYS 31 far 0 66 0 - 7.5-20.9 H LYS 24 - HD2 LYS 26 far 0 68 0 - 7.7-11.3 H LYS 24 - HD3 LYS 26 far 0 73 0 - 7.8-11.3 H LYS 26 - HD2 LYS 24 far 0 64 0 - 7.9-10.1 H LYS 24 - HD2 LYS 19 far 0 83 0 - 7.9-13.4 H GLY 17 - HD3 LYS 31 far 0 48 0 - 7.9-26.4 H GLY 14 - HD2 LYS 19 far 0 89 0 - 8.0-14.9 H GLY 14 - HD3 LYS 19 far 0 89 0 - 8.0-16.4 H GLY 17 - HD2 LYS 31 far 0 46 0 - 8.2-26.5 H ALA 28 - HD2 LYS 31 far 0 62 0 - 8.4-11.5 H LYS 19 - HD3 LYS 24 far 0 90 0 - 8.5-14.5 H LYS 24 - HD3 LYS 19 far 0 83 0 - 8.5-13.4 H ALA 28 - HD3 LYS 31 far 0 64 0 - 8.9-11.4 H LYS 19 - HD2 LYS 24 far 0 87 0 - 9.1-14.2 H ALA 28 - HD3 LYS 24 far 0 64 0 - 9.3-15.3 H LYS 86 - HD3 LYS 19 far 0 98 0 - 9.4-41.0 Violated in 0 structures by 0.00 A. Peak 293 from cnoeabs.peaks (4.27, 1.65, 28.90 ppm; 4.40 A): 8 out of 81 assignments used, quality = 1.00: * HA LYS 19 + HD2 LYS 19 OK 99 100 100 99 3.5-4.4 5.2=62, ~6151=35...(42) HA LYS 19 + HD3 LYS 19 OK 89 100 90 99 3.8-5.0 5.2=62, ~6151=35...(41) HA LYS 31 + HD3 LYS 31 OK 84 84 100 99 1.9-4.8 5.2=60, ~6332=31...(32) HA LYS 31 + HD2 LYS 31 OK 81 82 100 99 2.0-4.7 5.2=60, ~6332=31...(32) HA LYS 26 + HD3 LYS 26 OK 75 94 80 100 2.0-5.3 5.0=69, ~6253=37...(34) HA LYS 26 + HD2 LYS 26 OK 67 89 75 100 2.0-5.1 5.0=69, ~6253=37...(34) HA LEU 22 + HD2 LYS 24 OK 24 87 50 56 3.2-9.0 ~1309=12, 11967/3.0=10...(11) HA GLN 27 + HD3 LYS 26 OK 23 66 40 87 3.1-7.9 3.0/6267=23, ~6264=20...(18) HA LEU 22 - HD3 LYS 24 poor 19 89 40 54 3.7-8.5 ~1309=12, 11967/3.0=10...(11) HA ALA 28 - HD3 LYS 26 poor 16 52 30 - 3.9-9.2 HA ALA 16 - HD2 LYS 19 far 15 98 15 - 4.1-8.2 HA ALA 16 - HD3 LYS 19 far 15 98 15 - 4.7-9.2 HA GLN 27 - HD2 LYS 26 poor 12 62 20 - 3.5-7.5 HA LYS 31 - HD3 LYS 26 far 9 89 10 - 4.0-10.4 HA ALA 28 - HD2 LYS 26 far 5 48 10 - 4.2-7.8 HA LYS 19 - HD3 LYS 31 far 4 90 5 - 4.2-24.3 HA SER 74 - HD3 LYS 19 far 4 73 5 - 4.6-35.1 HA THR 18 - HD2 LYS 19 far 4 71 5 - 5.0-5.5 HA ARG 23 - HD3 LYS 24 far 4 70 5 - 4.0-7.6 HA ALA 21 - HD3 LYS 24 far 3 62 5 - 5.0-11.3 HA THR 25 - HD2 LYS 26 far 3 60 5 - 4.9-6.7 HA ARG 23 - HD2 LYS 24 far 0 68 0 - 5.0-7.8 HA LYS 19 - HD2 LYS 31 far 0 87 0 - 5.1-24.1 HA LYS 31 - HD2 LYS 26 far 0 84 0 - 5.1-10.1 HA THR 25 - HD3 LYS 26 far 0 64 0 - 5.2-6.8 HA ALA 21 - HD2 LYS 24 far 0 59 0 - 5.2-10.9 HA ARG 23 - HD3 LYS 31 far 0 70 0 - 5.4-17.9 HA ARG 23 - HD2 LYS 31 far 0 68 0 - 5.5-19.1 HA THR 18 - HD3 LYS 19 far 0 71 0 - 5.6-7.0 HA ALA 15 - HD2 LYS 19 far 0 87 0 - 5.7-11.6 HA THR 25 - HD3 LYS 24 far 0 60 0 - 5.8-7.0 HA LYS 36 - HD2 LYS 26 far 0 86 0 - 5.9-11.4 HA LYS 36 - HD3 LYS 26 far 0 91 0 - 6.0-12.7 HA ALA 15 - HD3 LYS 19 far 0 87 0 - 6.2-11.9 HA SER 74 - HD2 LYS 19 far 0 73 0 - 6.2-35.4 HA ARG 23 - HD3 LYS 26 far 0 75 0 - 6.4-12.1 HA THR 25 - HD2 LYS 24 far 0 57 0 - 6.5-8.0 HA LYS 26 - HD2 LYS 31 far 0 87 0 - 6.5-14.6 HA ALA 12 - HD3 LYS 19 far 0 87 0 - 6.5-20.5 HA LYS 19 - HD2 LYS 24 far 0 87 0 - 6.5-12.9 HA ALA 21 - HD3 LYS 31 far 0 62 0 - 6.6-23.8 HA LYS 19 - HD3 LYS 24 far 0 90 0 - 6.6-13.2 HA LYS 26 - HD3 LYS 24 far 0 89 0 - 6.8-10.5 HA ALA 16 - HD3 LYS 31 far 0 85 0 - 7.0-28.5 HA THR 18 - HD3 LYS 31 far 0 57 0 - 7.1-26.4 HA ALA 16 - HD2 LYS 31 far 0 83 0 - 7.3-28.5 HA ALA 12 - HD2 LYS 19 far 0 87 0 - 7.6-20.3 HA SER 74 - HD3 LYS 24 far 0 60 0 - 7.6-23.3 HA ALA 21 - HD3 LYS 19 far 0 76 0 - 7.7-9.8 HA ALA 12 - HD2 LYS 31 far 0 70 0 - 7.7-38.2 HA LEU 22 - HD3 LYS 31 far 0 89 0 - 7.8-22.1 HA LYS 26 - HD3 LYS 31 far 0 89 0 - 7.8-13.5 HA LYS 26 - HD2 LYS 24 far 0 87 0 - 7.8-10.9 HA ALA 21 - HD2 LYS 19 far 0 76 0 - 7.8-8.6 HA ARG 23 - HD2 LYS 26 far 0 70 0 - 7.9-11.1 HA ALA 21 - HD2 LYS 31 far 0 59 0 - 8.2-24.8 HA LYS 31 - HD3 LYS 19 far 0 97 0 - 8.3-27.0 HA LEU 22 - HD2 LYS 26 far 0 89 0 - 8.4-15.7 HA SER 74 - HD2 LYS 24 far 0 57 0 - 8.4-24.9 HA ARG 23 - HD3 LYS 19 far 0 85 0 - 8.4-12.6 HA ALA 12 - HD3 LYS 31 far 0 72 0 - 8.4-38.1 HA LEU 22 - HD3 LYS 26 far 0 94 0 - 8.5-15.5 HA LEU 22 - HD2 LYS 19 far 0 100 0 - 8.6-11.0 HA LEU 22 - HD2 LYS 31 far 0 87 0 - 8.6-22.9 HA ARG 23 - HD2 LYS 19 far 0 85 0 - 8.7-12.2 HA THR 18 - HD2 LYS 24 far 0 55 0 - 8.7-12.7 HA THR 18 - HD2 LYS 31 far 0 55 0 - 8.7-26.2 HA THR 25 - HD3 LYS 31 far 0 60 0 - 8.7-17.7 HA LYS 31 - HD2 LYS 19 far 0 97 0 - 8.9-27.5 HA THR 18 - HD3 LYS 24 far 0 57 0 - 9.1-13.3 HA THR 25 - HD2 LYS 31 far 0 57 0 - 9.2-17.6 HA ALA 15 - HD3 LYS 31 far 0 72 0 - 9.4-29.3 HA GLN 27 - HD3 LYS 31 far 0 62 0 - 9.4-13.4 HA GLN 27 - HD2 LYS 31 far 0 59 0 - 9.5-14.5 HA LEU 22 - HD3 LYS 19 far 0 100 0 - 9.5-12.1 HA GLN 27 - HD3 LYS 24 far 0 62 0 - 9.6-12.5 HA THR 25 - HD2 LYS 19 far 0 73 0 - 9.6-17.8 HA LYS 19 - HD3 LYS 26 far 0 94 0 - 9.7-20.2 HA PHE 87 - HD3 LYS 19 far 0 100 0 - 9.9-41.0 HA PHE 87 - HD2 LYS 19 far 0 100 0 - 10.0-40.9 HA LYS 26 - HD3 LYS 19 far 0 100 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 294 from cnoeabs.peaks (1.75, 1.65, 28.90 ppm; 6.80 A): 10 out of 41 assignments used, quality = 1.00: HB2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.0-3.5 3.9=100 * HB2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-3.2 3.9=100 HB2 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.3-3.9 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 90 90 100 100 2.1-4.0 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.6-3.7 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 2.6-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 84 84 100 100 2.1-4.2 3.5=100 HB2 ARG 23 + HD2 LYS 24 OK 27 86 45 70 6.0-9.1 ~833=11, ~822=10...(26) HB2 ARG 23 + HD3 LYS 24 OK 26 88 45 66 5.6-9.0 ~833=11, ~822=10...(22) HB2 LYS 26 - HD3 LYS 31 far 13 90 15 - 6.1-13.8 HB2 LYS 31 - HD2 LYS 26 poor 13 87 65 24 3.7-10.0 809/6348=15, 6331/6336=3 HB2 LYS 26 - HD2 LYS 31 far 13 87 15 - 5.4-13.3 HB2 LYS 31 - HD3 LYS 26 poor 7 92 35 20 2.1-9.6 809/6348=14, 1154/10842=2 HB2 LYS 24 - HD2 LYS 19 far 5 100 5 - 7.3-16.3 HB2 ARG 23 - HD3 LYS 19 far 5 100 5 - 7.3-12.6 HB2 LYS 19 - HD3 LYS 31 far 4 90 5 - 4.6-25.0 HB2 ARG 23 - HD3 LYS 31 far 4 88 5 - 4.8-19.6 HB2 LYS 19 - HD2 LYS 31 far 4 87 5 - 5.2-25.0 HG3 ARG 90 - HD3 LYS 19 far 4 87 5 - 5.6-37.6 HG3 ARG 90 - HD2 LYS 19 far 4 87 5 - 6.5-37.7 HB2 ARG 23 - HD2 LYS 31 far 4 86 5 - 5.7-20.8 HB2 ARG 23 - HD2 LYS 19 far 0 100 0 - 7.5-11.9 HB2 ARG 23 - HD3 LYS 26 far 0 93 0 - 7.5-14.0 HB ILE 80 - HD3 LYS 19 far 0 95 0 - 7.8-37.4 HB2 ARG 23 - HD2 LYS 26 far 0 88 0 - 7.8-13.1 HB2 LYS 19 - HD3 LYS 24 far 0 90 0 - 7.9-15.5 HB2 LYS 24 - HD3 LYS 26 far 0 94 0 - 7.9-11.0 HB2 LYS 31 - HD3 LYS 19 far 0 99 0 - 8.2-24.6 HB2 LYS 19 - HD2 LYS 24 far 0 87 0 - 8.2-15.2 HB2 LYS 24 - HD3 LYS 19 far 0 100 0 - 8.2-16.3 HB2 LYS 26 - HD3 LYS 24 far 0 90 0 - 8.4-11.9 HB2 LYS 24 - HD2 LYS 26 far 0 89 0 - 8.6-11.1 HB2 LYS 31 - HD2 LYS 24 far 0 84 0 - 8.8-21.3 HB ILE 80 - HD2 LYS 19 far 0 95 0 - 9.2-37.4 HB2 LYS 31 - HD2 LYS 19 far 0 99 0 - 9.2-25.0 HB2 LYS 31 - HD3 LYS 24 far 0 87 0 - 9.4-20.4 HB2 LYS 26 - HD2 LYS 24 far 0 87 0 - 9.6-12.5 HG3 ARG 90 - HD3 LYS 24 far 0 72 0 - 9.8-25.6 HB2 LYS 24 - HD3 LYS 31 far 0 89 0 - 9.9-20.2 HB2 LYS 24 - HD2 LYS 31 far 0 86 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 295 from cnoeabs.peaks (1.81, 1.65, 28.90 ppm; 4.08 A): 10 out of 51 assignments used, quality = 1.00: HB3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 3.3-4.2 3.9=100 * HB3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 3.5-4.1 3.9=100 HB3 LYS 26 + HD3 LYS 26 OK 92 92 100 100 2.0-3.3 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 90 90 100 100 2.1-4.1 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.1-3.7 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 87 87 100 100 2.0-3.2 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 87 87 100 100 2.0-3.8 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 87 87 100 100 2.5-4.2 3.5=100 HB ILE 32 + HD2 LYS 26 OK 39 88 45 100 4.2-5.1 ~10767=34, 3.0/10763=30...(49) HB ILE 32 + HD3 LYS 26 OK 28 92 30 100 3.4-6.5 10833/1.8=36, ~10766=29...(54) HB3 LYS 31 - HD3 LYS 26 far 9 94 10 - 3.5-10.7 HB3 LYS 19 - HD3 LYS 31 far 4 90 5 - 3.0-23.2 HB3 LYS 19 - HD2 LYS 31 far 4 87 5 - 3.4-23.3 HB3 ARG 23 - HD3 LYS 24 far 4 83 5 - 4.2-8.9 HB3 LYS 31 - HD2 LYS 26 far 0 90 0 - 4.7-11.2 HB3 ARG 23 - HD2 LYS 24 far 0 80 0 - 5.3-8.9 HB3 LYS 26 - HD2 LYS 31 far 0 84 0 - 5.9-12.3 HB2 LYS 36 - HD3 LYS 26 far 0 93 0 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 26 far 0 88 0 - 6.3-14.3 HB2 LYS 36 - HD2 LYS 26 far 0 88 0 - 6.3-11.2 HB3 LYS 19 - HD3 LYS 24 far 0 90 0 - 6.4-14.8 HB ILE 32 - HD3 LYS 31 far 0 88 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 83 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 83 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 85 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 87 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 87 0 - 6.8-12.2 HB3 ARG 23 - HD2 LYS 31 far 0 80 0 - 7.3-22.1 HB3 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.1-26.2 HB2 LYS 36 - HD3 LYS 31 far 0 88 0 - 8.1-12.5 HB2 CYS 79 - HD3 LYS 19 far 0 65 0 - 8.3-33.8 HB2 LYS 36 - HD2 LYS 31 far 0 86 0 - 8.3-12.3 HB2 LYS 86 - HD3 LYS 19 far 0 89 0 - 8.4-38.5 HB3 LYS 31 - HD2 LYS 19 far 0 100 0 - 8.4-26.6 HB VAL 93 - HD3 LYS 19 far 0 90 0 - 8.4-40.5 HB3 ARG 23 - HD3 LYS 19 far 0 97 0 - 8.5-12.9 HB2 CYS 79 - HD2 LYS 24 far 0 50 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 53 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 94 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 19 far 0 100 0 - 8.8-16.9 HB3 LYS 24 - HD2 LYS 26 far 0 89 0 - 8.8-11.0 HB3 ARG 23 - HD2 LYS 19 far 0 97 0 - 8.9-12.7 HB VAL 93 - HD2 LYS 19 far 0 90 0 - 9.3-40.8 HB2 LYS 86 - HD2 LYS 19 far 0 89 0 - 9.3-38.4 HB3 LYS 26 - HD3 LYS 24 far 0 87 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 94 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 90 0 - 9.5-19.2 HB3 LYS 24 - HD3 LYS 19 far 0 100 0 - 9.8-17.0 HB2 CYS 79 - HD3 LYS 24 far 0 53 0 - 9.9-24.7 HB2 CYS 79 - HD2 LYS 19 far 0 65 0 - 9.9-33.8 HB3 LYS 31 - HD2 LYS 24 far 0 87 0 - 10.0-22.7 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 60 assignments used, quality = 1.00: * HG2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-2.7 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 26 + HD3 LYS 26 OK 79 79 100 100 2.6-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 78 78 100 100 2.4-3.0 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 2.3-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 55 55 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 53 53 100 100 2.2-3.0 2.9=100 QB ALA 29 - HD2 LYS 26 poor 15 76 20 - 2.5-6.4 QB ALA 29 - HD3 LYS 26 far 8 81 10 - 2.3-7.8 HG2 LYS 19 - HD3 LYS 31 far 4 90 5 - 3.6-23.8 QB ALA 15 - HD3 LYS 19 far 4 87 5 - 3.7-10.4 QB ALA 15 - HD2 LYS 19 far 4 87 5 - 3.8-10.9 HG3 LYS 31 - HD3 LYS 26 far 3 59 5 - 4.1-12.0 QB ALA 12 - HD2 LYS 31 far 0 86 0 - 4.5-32.1 QB ALA 28 - HD3 LYS 26 far 0 75 0 - 4.7-8.5 HG2 LYS 19 - HD2 LYS 31 far 0 87 0 - 4.9-23.9 QB ALA 28 - HD2 LYS 26 far 0 70 0 - 4.9-7.9 QB ALA 21 - HD2 LYS 24 far 0 59 0 - 5.1-9.6 QB ALA 12 - HD3 LYS 31 far 0 88 0 - 5.2-32.1 HG3 LYS 31 - HD2 LYS 26 far 0 55 0 - 5.4-12.2 QB ALA 21 - HD3 LYS 24 far 0 62 0 - 5.5-10.1 QB ALA 21 - HD2 LYS 19 far 0 76 0 - 5.6-6.4 QB ALA 21 - HD3 LYS 31 far 0 62 0 - 5.8-21.0 QB ALA 21 - HD3 LYS 19 far 0 76 0 - 6.2-7.5 HG3 LYS 26 - HD3 LYS 31 far 0 74 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 71 0 - 6.9-14.3 QB ALA 21 - HD2 LYS 31 far 0 59 0 - 7.1-20.7 QB ALA 12 - HD3 LYS 19 far 0 100 0 - 7.4-17.7 QB ALA 29 - HD2 LYS 31 far 0 73 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 76 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 68 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 90 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 68 0 - 7.7-26.9 QB ALA 28 - HD3 LYS 31 far 0 70 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 70 0 - 7.9-14.7 QB ALA 28 - HD2 LYS 24 far 0 68 0 - 8.1-15.1 QB ALA 21 - HD3 LYS 26 far 0 66 0 - 8.2-15.0 QB ALA 21 - HD2 LYS 26 far 0 62 0 - 8.2-15.3 QB ALA 28 - HD2 LYS 31 far 0 68 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 100 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 87 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 92 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 81 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 76 0 - 8.6-12.2 QB ALA 15 - HD3 LYS 26 far 0 77 0 - 8.6-22.7 HG3 LYS 26 - HD3 LYS 24 far 0 74 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 78 0 - 9.0-21.0 QB ALA 29 - HD3 LYS 24 far 0 76 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 72 0 - 9.2-24.7 HG2 LYS 24 - HD3 LYS 26 far 0 82 0 - 9.3-12.6 HG3 LYS 31 - HD2 LYS 24 far 0 53 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 75 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 92 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 72 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 73 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 55 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 94 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 71 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 70 0 - 9.8-24.9 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 44 assignments used, quality = 1.00: HG3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-2.8 3.0=100 * HG3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 89 89 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.3-3.0 3.0=100 HG2 LYS 26 + HD3 LYS 26 OK 88 88 100 100 2.2-3.0 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 2.4-3.0 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 26 OK 55 88 65 95 2.3-5.4 ~10767=27, 892/10763=17...(40) HG13 ILE 32 - HD3 LYS 26 poor 19 93 20 - 3.4-5.5 HG3 LYS 19 - HD3 LYS 31 far 4 90 5 - 3.5-23.9 HG2 LYS 31 - HD3 LYS 26 far 0 94 0 - 4.0-11.7 QB ALA 34 - HD2 LYS 26 far 0 57 0 - 4.2-7.0 HG3 LYS 19 - HD2 LYS 31 far 0 87 0 - 4.2-23.7 QB ALA 34 - HD3 LYS 26 far 0 62 0 - 4.4-7.4 HG2 LYS 26 - HD3 LYS 31 far 0 83 0 - 5.1-14.0 HG2 LYS 26 - HD2 LYS 31 far 0 80 0 - 5.2-13.9 HG2 LYS 31 - HD2 LYS 26 far 0 89 0 - 5.7-12.1 HG13 ILE 32 - HD2 LYS 31 far 0 86 0 - 6.0-8.4 HG13 ILE 32 - HD3 LYS 31 far 0 88 0 - 6.2-9.0 HG3 LYS 19 - HD3 LYS 24 far 0 90 0 - 7.6-15.9 QB ALA 34 - HD3 LYS 19 far 0 71 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 57 0 - 7.9-10.9 HG2 LYS 86 - HD3 LYS 19 far 0 76 0 - 8.0-37.5 HG3 LYS 24 - HD2 LYS 19 far 0 100 0 - 8.0-16.0 QB ALA 34 - HD2 LYS 31 far 0 55 0 - 8.0-10.8 HG3 LYS 36 - HD3 LYS 26 far 0 66 0 - 8.3-14.1 HG2 LYS 26 - HD3 LYS 24 far 0 83 0 - 8.3-12.6 HG3 LYS 19 - HD2 LYS 24 far 0 87 0 - 8.4-15.6 HG2 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.5-25.2 HG2 LYS 31 - HD2 LYS 19 far 0 100 0 - 8.5-25.7 HG3 LYS 36 - HD2 LYS 26 far 0 62 0 - 8.6-12.6 QB ALA 34 - HD2 LYS 24 far 0 55 0 - 8.8-16.8 HG3 LYS 19 - HD3 LYS 26 far 0 94 0 - 9.0-20.4 QB ALA 34 - HD2 LYS 19 far 0 71 0 - 9.1-23.8 HG3 LYS 24 - HD3 LYS 19 far 0 100 0 - 9.2-16.2 QB ALA 34 - HD3 LYS 24 far 0 57 0 - 9.2-15.8 HG2 LYS 86 - HD2 LYS 19 far 0 76 0 - 9.3-37.4 HG3 LYS 36 - HD3 LYS 31 far 0 62 0 - 9.4-14.3 HG2 LYS 26 - HD2 LYS 24 far 0 80 0 - 9.4-13.2 HG3 LYS 19 - HD2 LYS 26 far 0 90 0 - 9.5-19.8 HG3 LYS 36 - HD2 LYS 31 far 0 59 0 - 9.5-14.0 HG3 LYS 24 - HD3 LYS 31 far 0 89 0 - 9.8-22.2 HG2 LYS 31 - HD2 LYS 24 far 0 87 0 - 10.0-23.6 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 51 assignments used, quality = 1.00: * HE2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HE2 LYS 26 + HD3 LYS 26 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 90 90 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.3-3.0 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 HE2 LYS 24 + HD2 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 86 86 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 85 85 100 100 2.2-2.9 3.0=100 HE3 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 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 85 85 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 83 83 100 100 2.2-3.0 3.0=100 HE3 LYS 19 - HD2 LYS 31 far 0 85 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 88 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 87 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 90 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 85 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 90 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 83 0 - 6.6-14.7 HE2 LYS 31 - HD3 LYS 26 far 0 92 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 98 0 - 6.8-28.0 HE3 LYS 31 - HD2 LYS 19 far 0 98 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 99 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 87 0 - 7.3-12.7 HE3 LYS 36 - HD2 LYS 31 far 0 86 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 89 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 88 0 - 7.6-13.7 HE3 LYS 31 - HD2 LYS 26 far 0 85 0 - 7.7-13.6 HE2 LYS 31 - HD2 LYS 19 far 0 99 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 83 0 - 8.1-13.6 HE3 LYS 86 - HD3 LYS 19 far 0 100 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 85 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 100 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 89 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 100 0 - 8.6-36.9 HE3 LYS 24 - HD3 LYS 19 far 0 100 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 89 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 24 far 0 85 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 89 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 83 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 94 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 100 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 88 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 94 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 98 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 98 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 100 0 - 9.9-17.4 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 51 assignments used, quality = 1.00: * HE3 LYS 19 + HD2 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 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 99 99 100 100 2.3-3.0 2.9=100 HE2 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 90 90 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 89 89 100 100 2.2-2.9 3.0=100 HE3 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 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 89 89 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 87 87 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 86 86 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 86 86 100 100 2.3-3.0 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 HE3 LYS 19 - HD2 LYS 31 far 0 87 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 90 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 85 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 88 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 89 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 94 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 86 0 - 6.6-14.7 HE2 LYS 31 - HD3 LYS 26 far 0 94 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 100 0 - 6.8-28.0 HE3 LYS 31 - HD2 LYS 19 far 0 100 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 100 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 84 0 - 7.3-12.7 HE3 LYS 36 - HD2 LYS 31 far 0 86 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 87 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 90 0 - 7.6-13.7 HE3 LYS 31 - HD2 LYS 26 far 0 89 0 - 7.7-13.6 HE2 LYS 31 - HD2 LYS 19 far 0 100 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 86 0 - 8.1-13.6 HE3 LYS 86 - HD3 LYS 19 far 0 100 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 89 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 100 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 89 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 100 0 - 8.6-36.9 HE3 LYS 24 - HD3 LYS 19 far 0 100 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 89 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 24 far 0 89 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 87 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 86 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 94 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 98 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 90 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 92 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 100 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 100 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 98 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 303 from cnoeabs.peaks (8.35, 1.65, 28.90 ppm; 5.91 A): 8 out of 32 assignments used, quality = 1.00: H LYS 19 + HD2 LYS 19 OK 100 100 100 100 1.9-2.2 6151/3.0=99, 6149/3.9=98...(75) * H LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.8-3.5 6151/3.0=99, 6149/3.9=98...(73) H LYS 26 + HD3 LYS 26 OK 71 71 100 100 2.6-4.9 5.7=100 H LYS 24 + HD3 LYS 24 OK 68 68 100 100 2.0-5.3 5.9=100 H LYS 26 + HD2 LYS 26 OK 66 66 100 100 3.5-5.5 5.7=100 H LYS 24 + HD2 LYS 24 OK 65 66 100 100 2.7-5.7 5.9=100 H ALA 28 + HD3 LYS 26 OK 59 69 90 95 3.9-7.1 10770/3.5=59...(16) H ALA 28 + HD2 LYS 26 OK 55 64 90 94 3.5-6.7 10770/3.5=59...(15) H GLY 17 - HD2 LYS 19 poor 16 60 95 28 2.8-7.0 ~10679=19, ~10667=9 H GLY 17 - HD3 LYS 19 poor 10 60 60 28 2.7-7.6 ~10679=19, ~10667=9 H LYS 19 - HD3 LYS 31 far 4 90 5 - 5.2-25.6 H LYS 19 - HD2 LYS 31 far 4 87 5 - 6.4-25.6 H LYS 26 - HD3 LYS 24 far 0 66 0 - 7.2-9.4 H LYS 26 - HD3 LYS 31 far 0 66 0 - 7.3-15.9 H LYS 26 - HD2 LYS 31 far 0 64 0 - 7.4-15.7 H LYS 24 - HD3 LYS 31 far 0 68 0 - 7.5-19.6 H LYS 24 - HD2 LYS 31 far 0 66 0 - 7.5-20.9 H LYS 24 - HD2 LYS 26 far 0 68 0 - 7.7-11.3 H LYS 24 - HD3 LYS 26 far 0 73 0 - 7.8-11.3 H LYS 26 - HD2 LYS 24 far 0 64 0 - 7.9-10.1 H LYS 24 - HD2 LYS 19 far 0 83 0 - 7.9-13.4 H GLY 17 - HD3 LYS 31 far 0 48 0 - 7.9-26.4 H GLY 14 - HD2 LYS 19 far 0 89 0 - 8.0-14.9 H GLY 14 - HD3 LYS 19 far 0 89 0 - 8.0-16.4 H GLY 17 - HD2 LYS 31 far 0 46 0 - 8.2-26.5 H ALA 28 - HD2 LYS 31 far 0 62 0 - 8.4-11.5 H LYS 19 - HD3 LYS 24 far 0 90 0 - 8.5-14.5 H LYS 24 - HD3 LYS 19 far 0 83 0 - 8.5-13.4 H ALA 28 - HD3 LYS 31 far 0 64 0 - 8.9-11.4 H LYS 19 - HD2 LYS 24 far 0 87 0 - 9.1-14.2 H ALA 28 - HD3 LYS 24 far 0 64 0 - 9.3-15.3 H LYS 86 - HD3 LYS 19 far 0 98 0 - 9.4-41.0 Violated in 0 structures by 0.00 A. Peak 304 from cnoeabs.peaks (4.27, 1.65, 28.90 ppm; 4.19 A): 6 out of 81 assignments used, quality = 1.00: HA LYS 19 + HD2 LYS 19 OK 99 100 100 99 3.5-4.4 5.2=54, ~6151=31...(42) HA LYS 31 + HD3 LYS 31 OK 83 84 100 99 1.9-4.8 5.2=52, 822/2.9=28...(32) HA LYS 31 + HD2 LYS 31 OK 80 82 100 99 2.0-4.7 5.2=52, 822/2.9=28...(32) HA LYS 26 + HD3 LYS 26 OK 74 94 80 99 2.0-5.3 5.0=60, ~6253=33...(34) * HA LYS 19 + HD3 LYS 19 OK 64 100 65 99 3.8-5.0 5.2=54, ~6151=31...(41) HA LYS 26 + HD2 LYS 26 OK 44 89 50 99 2.0-5.1 5.0=60, ~6253=33...(34) HA GLN 27 - HD3 LYS 26 poor 19 66 35 83 3.1-7.9 3.0/6267=21, ~6264=18...(18) HA ALA 16 - HD2 LYS 19 far 15 98 15 - 4.1-8.2 HA LEU 22 - HD2 LYS 24 poor 13 87 30 52 3.2-9.0 ~1309=11, 11967/3.0=9...(11) HA LEU 22 - HD3 LYS 24 poor 13 89 30 50 3.7-8.5 ~1309=11, 11967/3.0=9...(11) HA GLN 27 - HD2 LYS 26 poor 12 62 20 - 3.5-7.5 HA ALA 28 - HD3 LYS 26 poor 10 52 20 - 3.9-9.2 HA ALA 16 - HD3 LYS 19 far 10 98 10 - 4.7-9.2 HA LYS 31 - HD3 LYS 26 far 9 89 10 - 4.0-10.4 HA ALA 28 - HD2 LYS 26 far 5 48 10 - 4.2-7.8 HA LYS 19 - HD3 LYS 31 far 4 90 5 - 4.2-24.3 HA SER 74 - HD3 LYS 19 far 4 73 5 - 4.6-35.1 HA ARG 23 - HD3 LYS 24 far 4 70 5 - 4.0-7.6 HA THR 25 - HD2 LYS 26 far 0 60 0 - 4.9-6.7 HA THR 18 - HD2 LYS 19 far 0 71 0 - 5.0-5.5 HA ALA 21 - HD3 LYS 24 far 0 62 0 - 5.0-11.3 HA ARG 23 - HD2 LYS 24 far 0 68 0 - 5.0-7.8 HA LYS 19 - HD2 LYS 31 far 0 87 0 - 5.1-24.1 HA LYS 31 - HD2 LYS 26 far 0 84 0 - 5.1-10.1 HA THR 25 - HD3 LYS 26 far 0 64 0 - 5.2-6.8 HA ALA 21 - HD2 LYS 24 far 0 59 0 - 5.2-10.9 HA ARG 23 - HD3 LYS 31 far 0 70 0 - 5.4-17.9 HA ARG 23 - HD2 LYS 31 far 0 68 0 - 5.5-19.1 HA THR 18 - HD3 LYS 19 far 0 71 0 - 5.6-7.0 HA ALA 15 - HD2 LYS 19 far 0 87 0 - 5.7-11.6 HA THR 25 - HD3 LYS 24 far 0 60 0 - 5.8-7.0 HA LYS 36 - HD2 LYS 26 far 0 86 0 - 5.9-11.4 HA LYS 36 - HD3 LYS 26 far 0 91 0 - 6.0-12.7 HA ALA 15 - HD3 LYS 19 far 0 87 0 - 6.2-11.9 HA SER 74 - HD2 LYS 19 far 0 73 0 - 6.2-35.4 HA ARG 23 - HD3 LYS 26 far 0 75 0 - 6.4-12.1 HA THR 25 - HD2 LYS 24 far 0 57 0 - 6.5-8.0 HA LYS 26 - HD2 LYS 31 far 0 87 0 - 6.5-14.6 HA ALA 12 - HD3 LYS 19 far 0 87 0 - 6.5-20.5 HA LYS 19 - HD2 LYS 24 far 0 87 0 - 6.5-12.9 HA ALA 21 - HD3 LYS 31 far 0 62 0 - 6.6-23.8 HA LYS 19 - HD3 LYS 24 far 0 90 0 - 6.6-13.2 HA LYS 26 - HD3 LYS 24 far 0 89 0 - 6.8-10.5 HA ALA 16 - HD3 LYS 31 far 0 85 0 - 7.0-28.5 HA THR 18 - HD3 LYS 31 far 0 57 0 - 7.1-26.4 HA ALA 16 - HD2 LYS 31 far 0 83 0 - 7.3-28.5 HA ALA 12 - HD2 LYS 19 far 0 87 0 - 7.6-20.3 HA SER 74 - HD3 LYS 24 far 0 60 0 - 7.6-23.3 HA ALA 21 - HD3 LYS 19 far 0 76 0 - 7.7-9.8 HA ALA 12 - HD2 LYS 31 far 0 70 0 - 7.7-38.2 HA LEU 22 - HD3 LYS 31 far 0 89 0 - 7.8-22.1 HA LYS 26 - HD3 LYS 31 far 0 89 0 - 7.8-13.5 HA LYS 26 - HD2 LYS 24 far 0 87 0 - 7.8-10.9 HA ALA 21 - HD2 LYS 19 far 0 76 0 - 7.8-8.6 HA ARG 23 - HD2 LYS 26 far 0 70 0 - 7.9-11.1 HA ALA 21 - HD2 LYS 31 far 0 59 0 - 8.2-24.8 HA LYS 31 - HD3 LYS 19 far 0 97 0 - 8.3-27.0 HA LEU 22 - HD2 LYS 26 far 0 89 0 - 8.4-15.7 HA SER 74 - HD2 LYS 24 far 0 57 0 - 8.4-24.9 HA ARG 23 - HD3 LYS 19 far 0 85 0 - 8.4-12.6 HA ALA 12 - HD3 LYS 31 far 0 72 0 - 8.4-38.1 HA LEU 22 - HD3 LYS 26 far 0 94 0 - 8.5-15.5 HA LEU 22 - HD2 LYS 19 far 0 100 0 - 8.6-11.0 HA LEU 22 - HD2 LYS 31 far 0 87 0 - 8.6-22.9 HA ARG 23 - HD2 LYS 19 far 0 85 0 - 8.7-12.2 HA THR 18 - HD2 LYS 24 far 0 55 0 - 8.7-12.7 HA THR 18 - HD2 LYS 31 far 0 55 0 - 8.7-26.2 HA THR 25 - HD3 LYS 31 far 0 60 0 - 8.7-17.7 HA LYS 31 - HD2 LYS 19 far 0 97 0 - 8.9-27.5 HA THR 18 - HD3 LYS 24 far 0 57 0 - 9.1-13.3 HA THR 25 - HD2 LYS 31 far 0 57 0 - 9.2-17.6 HA ALA 15 - HD3 LYS 31 far 0 72 0 - 9.4-29.3 HA GLN 27 - HD3 LYS 31 far 0 62 0 - 9.4-13.4 HA GLN 27 - HD2 LYS 31 far 0 59 0 - 9.5-14.5 HA LEU 22 - HD3 LYS 19 far 0 100 0 - 9.5-12.1 HA GLN 27 - HD3 LYS 24 far 0 62 0 - 9.6-12.5 HA THR 25 - HD2 LYS 19 far 0 73 0 - 9.6-17.8 HA LYS 19 - HD3 LYS 26 far 0 94 0 - 9.7-20.2 HA PHE 87 - HD3 LYS 19 far 0 100 0 - 9.9-41.0 HA PHE 87 - HD2 LYS 19 far 0 100 0 - 10.0-40.9 HA LYS 26 - HD3 LYS 19 far 0 100 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 305 from cnoeabs.peaks (1.75, 1.65, 28.90 ppm; 4.93 A): 8 out of 41 assignments used, quality = 1.00: * HB2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.0-3.5 3.9=100 HB2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-3.2 3.9=100 HB2 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.3-3.9 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 90 90 100 100 2.1-4.0 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.6-3.7 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 2.6-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 84 84 100 100 2.1-4.2 3.5=100 HB2 LYS 31 - HD3 LYS 26 poor 18 92 20 - 2.1-9.6 HB2 LYS 31 - HD2 LYS 26 poor 17 87 20 - 3.7-10.0 HB2 LYS 19 - HD3 LYS 31 far 4 90 5 - 4.6-25.0 HB2 ARG 23 - HD3 LYS 31 far 4 88 5 - 4.8-19.6 HB2 LYS 19 - HD2 LYS 31 far 4 87 5 - 5.2-25.0 HB2 LYS 26 - HD2 LYS 31 far 4 87 5 - 5.4-13.3 HG3 ARG 90 - HD3 LYS 19 far 0 87 0 - 5.6-37.6 HB2 ARG 23 - HD3 LYS 24 far 0 88 0 - 5.6-9.0 HB2 ARG 23 - HD2 LYS 31 far 0 86 0 - 5.7-20.8 HB2 ARG 23 - HD2 LYS 24 far 0 86 0 - 6.0-9.1 HB2 LYS 26 - HD3 LYS 31 far 0 90 0 - 6.1-13.8 HG3 ARG 90 - HD2 LYS 19 far 0 87 0 - 6.5-37.7 HB2 ARG 23 - HD3 LYS 19 far 0 100 0 - 7.3-12.6 HB2 LYS 24 - HD2 LYS 19 far 0 100 0 - 7.3-16.3 HB2 ARG 23 - HD2 LYS 19 far 0 100 0 - 7.5-11.9 HB2 ARG 23 - HD3 LYS 26 far 0 93 0 - 7.5-14.0 HB ILE 80 - HD3 LYS 19 far 0 95 0 - 7.8-37.4 HB2 ARG 23 - HD2 LYS 26 far 0 88 0 - 7.8-13.1 HB2 LYS 19 - HD3 LYS 24 far 0 90 0 - 7.9-15.5 HB2 LYS 24 - HD3 LYS 26 far 0 94 0 - 7.9-11.0 HB2 LYS 31 - HD3 LYS 19 far 0 99 0 - 8.2-24.6 HB2 LYS 19 - HD2 LYS 24 far 0 87 0 - 8.2-15.2 HB2 LYS 24 - HD3 LYS 19 far 0 100 0 - 8.2-16.3 HB2 LYS 26 - HD3 LYS 24 far 0 90 0 - 8.4-11.9 HB2 LYS 24 - HD2 LYS 26 far 0 89 0 - 8.6-11.1 HB2 LYS 31 - HD2 LYS 24 far 0 84 0 - 8.8-21.3 HB ILE 80 - HD2 LYS 19 far 0 95 0 - 9.2-37.4 HB2 LYS 31 - HD2 LYS 19 far 0 99 0 - 9.2-25.0 HB2 LYS 31 - HD3 LYS 24 far 0 87 0 - 9.4-20.4 HB2 LYS 26 - HD2 LYS 24 far 0 87 0 - 9.6-12.5 HG3 ARG 90 - HD3 LYS 24 far 0 72 0 - 9.8-25.6 HB2 LYS 24 - HD3 LYS 31 far 0 89 0 - 9.9-20.2 HB2 LYS 24 - HD2 LYS 31 far 0 86 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 306 from cnoeabs.peaks (1.81, 1.65, 28.90 ppm; 4.05 A): 10 out of 51 assignments used, quality = 1.00: * HB3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 3.3-4.2 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 3.5-4.1 3.9=100 HB3 LYS 26 + HD3 LYS 26 OK 92 92 100 100 2.0-3.3 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 90 90 100 100 2.1-4.1 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.1-3.7 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 87 87 100 100 2.0-3.2 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 87 87 100 100 2.0-3.8 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 87 87 100 100 2.5-4.2 3.5=100 HB ILE 32 + HD2 LYS 26 OK 35 88 40 99 4.2-5.1 ~10767=33, 3.0/10763=29...(48) HB ILE 32 + HD3 LYS 26 OK 23 92 25 100 3.4-6.5 10833/1.8=35, ~10766=29...(52) HB3 LYS 31 - HD3 LYS 26 far 9 94 10 - 3.5-10.7 HB3 LYS 19 - HD3 LYS 31 far 4 90 5 - 3.0-23.2 HB3 LYS 19 - HD2 LYS 31 far 4 87 5 - 3.4-23.3 HB3 ARG 23 - HD3 LYS 24 far 4 83 5 - 4.2-8.9 HB3 LYS 31 - HD2 LYS 26 far 0 90 0 - 4.7-11.2 HB3 ARG 23 - HD2 LYS 24 far 0 80 0 - 5.3-8.9 HB3 LYS 26 - HD2 LYS 31 far 0 84 0 - 5.9-12.3 HB2 LYS 36 - HD3 LYS 26 far 0 93 0 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 26 far 0 88 0 - 6.3-14.3 HB2 LYS 36 - HD2 LYS 26 far 0 88 0 - 6.3-11.2 HB3 LYS 19 - HD3 LYS 24 far 0 90 0 - 6.4-14.8 HB ILE 32 - HD3 LYS 31 far 0 88 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 83 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 83 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 85 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 87 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 87 0 - 6.8-12.2 HB3 ARG 23 - HD2 LYS 31 far 0 80 0 - 7.3-22.1 HB3 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.1-26.2 HB2 LYS 36 - HD3 LYS 31 far 0 88 0 - 8.1-12.5 HB2 CYS 79 - HD3 LYS 19 far 0 65 0 - 8.3-33.8 HB2 LYS 36 - HD2 LYS 31 far 0 86 0 - 8.3-12.3 HB2 LYS 86 - HD3 LYS 19 far 0 89 0 - 8.4-38.5 HB3 LYS 31 - HD2 LYS 19 far 0 100 0 - 8.4-26.6 HB VAL 93 - HD3 LYS 19 far 0 90 0 - 8.4-40.5 HB3 ARG 23 - HD3 LYS 19 far 0 97 0 - 8.5-12.9 HB2 CYS 79 - HD2 LYS 24 far 0 50 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 53 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 94 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 19 far 0 100 0 - 8.8-16.9 HB3 LYS 24 - HD2 LYS 26 far 0 89 0 - 8.8-11.0 HB3 ARG 23 - HD2 LYS 19 far 0 97 0 - 8.9-12.7 HB VAL 93 - HD2 LYS 19 far 0 90 0 - 9.3-40.8 HB2 LYS 86 - HD2 LYS 19 far 0 89 0 - 9.3-38.4 HB3 LYS 26 - HD3 LYS 24 far 0 87 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 94 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 90 0 - 9.5-19.2 HB3 LYS 24 - HD3 LYS 19 far 0 100 0 - 9.8-17.0 HB2 CYS 79 - HD3 LYS 24 far 0 53 0 - 9.9-24.7 HB2 CYS 79 - HD2 LYS 19 far 0 65 0 - 9.9-33.8 HB3 LYS 31 - HD2 LYS 24 far 0 87 0 - 10.0-22.7 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 60 assignments used, quality = 1.00: HG2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-2.7 3.0=100 * HG2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 26 + HD3 LYS 26 OK 79 79 100 100 2.6-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 78 78 100 100 2.4-3.0 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 2.3-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 55 55 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 53 53 100 100 2.2-3.0 2.9=100 QB ALA 29 - HD2 LYS 26 poor 15 76 20 - 2.5-6.4 QB ALA 29 - HD3 LYS 26 far 12 81 15 - 2.3-7.8 HG2 LYS 19 - HD3 LYS 31 far 4 90 5 - 3.6-23.8 QB ALA 15 - HD3 LYS 19 far 4 87 5 - 3.7-10.4 QB ALA 15 - HD2 LYS 19 far 4 87 5 - 3.8-10.9 QB ALA 12 - HD2 LYS 31 far 4 86 5 - 4.5-32.1 HG3 LYS 31 - HD3 LYS 26 far 3 59 5 - 4.1-12.0 QB ALA 28 - HD3 LYS 26 far 0 75 0 - 4.7-8.5 HG2 LYS 19 - HD2 LYS 31 far 0 87 0 - 4.9-23.9 QB ALA 28 - HD2 LYS 26 far 0 70 0 - 4.9-7.9 QB ALA 21 - HD2 LYS 24 far 0 59 0 - 5.1-9.6 QB ALA 12 - HD3 LYS 31 far 0 88 0 - 5.2-32.1 HG3 LYS 31 - HD2 LYS 26 far 0 55 0 - 5.4-12.2 QB ALA 21 - HD3 LYS 24 far 0 62 0 - 5.5-10.1 QB ALA 21 - HD2 LYS 19 far 0 76 0 - 5.6-6.4 QB ALA 21 - HD3 LYS 31 far 0 62 0 - 5.8-21.0 QB ALA 21 - HD3 LYS 19 far 0 76 0 - 6.2-7.5 HG3 LYS 26 - HD3 LYS 31 far 0 74 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 71 0 - 6.9-14.3 QB ALA 21 - HD2 LYS 31 far 0 59 0 - 7.1-20.7 QB ALA 12 - HD3 LYS 19 far 0 100 0 - 7.4-17.7 QB ALA 29 - HD2 LYS 31 far 0 73 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 76 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 68 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 90 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 68 0 - 7.7-26.9 QB ALA 28 - HD3 LYS 31 far 0 70 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 70 0 - 7.9-14.7 QB ALA 28 - HD2 LYS 24 far 0 68 0 - 8.1-15.1 QB ALA 21 - HD3 LYS 26 far 0 66 0 - 8.2-15.0 QB ALA 21 - HD2 LYS 26 far 0 62 0 - 8.2-15.3 QB ALA 28 - HD2 LYS 31 far 0 68 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 100 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 87 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 92 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 81 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 76 0 - 8.6-12.2 QB ALA 15 - HD3 LYS 26 far 0 77 0 - 8.6-22.7 HG3 LYS 26 - HD3 LYS 24 far 0 74 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 78 0 - 9.0-21.0 QB ALA 29 - HD3 LYS 24 far 0 76 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 72 0 - 9.2-24.7 HG2 LYS 24 - HD3 LYS 26 far 0 82 0 - 9.3-12.6 HG3 LYS 31 - HD2 LYS 24 far 0 53 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 75 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 92 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 72 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 73 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 55 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 94 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 71 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 70 0 - 9.8-24.9 Violated in 0 structures by 0.00 A. Peak 308 from cnoeabs.peaks (1.44, 1.65, 28.90 ppm; 3.21 A): 9 out of 44 assignments used, quality = 1.00: * HG3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-2.8 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 89 89 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.3-3.0 3.0=100 HG2 LYS 26 + HD3 LYS 26 OK 88 88 100 100 2.2-3.0 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 2.4-3.0 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 26 OK 54 88 65 94 2.3-5.4 ~10767=25, 892/10763=16...(31) HG13 ILE 32 - HD3 LYS 26 far 14 93 15 - 3.4-5.5 HG3 LYS 19 - HD3 LYS 31 far 4 90 5 - 3.5-23.9 HG2 LYS 31 - HD3 LYS 26 far 0 94 0 - 4.0-11.7 QB ALA 34 - HD2 LYS 26 far 0 57 0 - 4.2-7.0 HG3 LYS 19 - HD2 LYS 31 far 0 87 0 - 4.2-23.7 QB ALA 34 - HD3 LYS 26 far 0 62 0 - 4.4-7.4 HG2 LYS 26 - HD3 LYS 31 far 0 83 0 - 5.1-14.0 HG2 LYS 26 - HD2 LYS 31 far 0 80 0 - 5.2-13.9 HG2 LYS 31 - HD2 LYS 26 far 0 89 0 - 5.7-12.1 HG13 ILE 32 - HD2 LYS 31 far 0 86 0 - 6.0-8.4 HG13 ILE 32 - HD3 LYS 31 far 0 88 0 - 6.2-9.0 HG3 LYS 19 - HD3 LYS 24 far 0 90 0 - 7.6-15.9 QB ALA 34 - HD3 LYS 19 far 0 71 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 57 0 - 7.9-10.9 HG2 LYS 86 - HD3 LYS 19 far 0 76 0 - 8.0-37.5 HG3 LYS 24 - HD2 LYS 19 far 0 100 0 - 8.0-16.0 QB ALA 34 - HD2 LYS 31 far 0 55 0 - 8.0-10.8 HG3 LYS 36 - HD3 LYS 26 far 0 66 0 - 8.3-14.1 HG2 LYS 26 - HD3 LYS 24 far 0 83 0 - 8.3-12.6 HG3 LYS 19 - HD2 LYS 24 far 0 87 0 - 8.4-15.6 HG2 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.5-25.2 HG2 LYS 31 - HD2 LYS 19 far 0 100 0 - 8.5-25.7 HG3 LYS 36 - HD2 LYS 26 far 0 62 0 - 8.6-12.6 QB ALA 34 - HD2 LYS 24 far 0 55 0 - 8.8-16.8 HG3 LYS 19 - HD3 LYS 26 far 0 94 0 - 9.0-20.4 QB ALA 34 - HD2 LYS 19 far 0 71 0 - 9.1-23.8 HG3 LYS 24 - HD3 LYS 19 far 0 100 0 - 9.2-16.2 QB ALA 34 - HD3 LYS 24 far 0 57 0 - 9.2-15.8 HG2 LYS 86 - HD2 LYS 19 far 0 76 0 - 9.3-37.4 HG3 LYS 36 - HD3 LYS 31 far 0 62 0 - 9.4-14.3 HG2 LYS 26 - HD2 LYS 24 far 0 80 0 - 9.4-13.2 HG3 LYS 19 - HD2 LYS 26 far 0 90 0 - 9.5-19.8 HG3 LYS 36 - HD2 LYS 31 far 0 59 0 - 9.5-14.0 HG3 LYS 24 - HD3 LYS 31 far 0 89 0 - 9.8-22.2 HG2 LYS 31 - HD2 LYS 24 far 0 87 0 - 10.0-23.6 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 51 assignments used, quality = 1.00: HE2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 * HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HE2 LYS 26 + HD3 LYS 26 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 90 90 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.3-3.0 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 HE2 LYS 24 + HD2 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 86 86 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 85 85 100 100 2.2-2.9 3.0=100 HE3 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 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 85 85 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 83 83 100 100 2.2-3.0 3.0=100 HE3 LYS 19 - HD2 LYS 31 far 0 85 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 88 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 87 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 90 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 85 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 90 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 83 0 - 6.6-14.7 HE2 LYS 31 - HD3 LYS 26 far 0 92 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 98 0 - 6.8-28.0 HE3 LYS 31 - HD2 LYS 19 far 0 98 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 99 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 87 0 - 7.3-12.7 HE3 LYS 36 - HD2 LYS 31 far 0 86 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 89 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 88 0 - 7.6-13.7 HE3 LYS 31 - HD2 LYS 26 far 0 85 0 - 7.7-13.6 HE2 LYS 31 - HD2 LYS 19 far 0 99 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 83 0 - 8.1-13.6 HE3 LYS 86 - HD3 LYS 19 far 0 100 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 85 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 100 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 89 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 100 0 - 8.6-36.9 HE3 LYS 24 - HD3 LYS 19 far 0 100 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 89 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 24 far 0 85 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 89 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 83 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 94 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 100 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 88 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 94 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 98 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 98 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 100 0 - 9.9-17.4 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 51 assignments used, quality = 1.00: HE3 LYS 19 + HD2 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 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 99 99 100 100 2.3-3.0 2.9=100 HE2 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 90 90 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 89 89 100 100 2.2-2.9 3.0=100 HE3 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 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 89 89 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 87 87 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 86 86 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 86 86 100 100 2.3-3.0 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 HE3 LYS 19 - HD2 LYS 31 far 0 87 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 90 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 85 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 88 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 89 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 94 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 86 0 - 6.6-14.7 HE2 LYS 31 - HD3 LYS 26 far 0 94 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 100 0 - 6.8-28.0 HE3 LYS 31 - HD2 LYS 19 far 0 100 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 100 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 84 0 - 7.3-12.7 HE3 LYS 36 - HD2 LYS 31 far 0 86 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 87 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 90 0 - 7.6-13.7 HE3 LYS 31 - HD2 LYS 26 far 0 89 0 - 7.7-13.6 HE2 LYS 31 - HD2 LYS 19 far 0 100 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 86 0 - 8.1-13.6 HE3 LYS 86 - HD3 LYS 19 far 0 100 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 89 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 100 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 89 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 100 0 - 8.6-36.9 HE3 LYS 24 - HD3 LYS 19 far 0 100 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 89 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 24 far 0 89 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 87 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 86 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 94 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 98 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 90 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 92 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 100 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 100 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 98 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 315 from cnoeabs.peaks (4.27, 2.96, 41.80 ppm; 6.80 A): 19 out of 98 assignments used, quality = 1.00: * HA LYS 19 + HE2 LYS 19 OK 100 100 100 100 5.1-6.2 6.4=100 HA PHE 87 + HE3 LYS 86 OK 100 100 100 100 4.1-7.3 4.9/2704=90...(10) HA LYS 36 + HE2 LYS 36 OK 99 99 100 100 5.2-6.5 6.0=100 HA LYS 19 + HE3 LYS 19 OK 98 98 100 100 4.9-6.3 6.4=100 HA LYS 36 + HE3 LYS 36 OK 98 98 100 100 5.0-6.5 6.0=100 HA LYS 31 + HE2 LYS 31 OK 94 94 100 100 2.1-5.2 6.5=100 HA LYS 26 + HE3 LYS 26 OK 94 94 100 100 3.0-6.3 6.6=100 HA LYS 26 + HE2 LYS 26 OK 94 94 100 100 3.7-6.4 6.6=100 HA LYS 31 + HE3 LYS 31 OK 89 89 100 100 2.0-5.9 6.5=100 HA THR 25 + HE3 LYS 26 OK 61 64 100 95 3.5-5.7 11150/3.6=62, 9587=53...(7) HA THR 25 + HE2 LYS 26 OK 61 64 100 95 4.4-6.6 11150/3.6=62...(7) HA LEU 22 + HE3 LYS 24 OK 60 100 95 63 3.2-7.5 11967/4.0=25...(8) HA LEU 22 + HE2 LYS 24 OK 57 100 95 60 2.6-9.0 11967/4.0=25...(8) HA ARG 23 + HE3 LYS 24 OK 39 84 60 77 4.4-8.2 424/7.4=50, 833/4.0=13...(15) HA THR 18 + HE2 LYS 19 OK 38 71 55 97 5.5-8.1 ~10696=74, ~10692=71...(7) HA ARG 23 + HE2 LYS 24 OK 35 84 55 76 5.3-8.2 424/7.4=50, 833/4.0=13...(15) HA THR 18 + HE3 LYS 19 OK 32 67 50 96 5.2-8.0 ~10696=74, ~10692=71...(7) HA GLN 27 + HE3 LYS 26 OK 27 66 55 73 2.9-8.6 ~6266=33, ~6267=33...(10) HA GLN 27 + HE2 LYS 26 OK 24 66 50 73 2.1-8.9 ~6266=33, ~6267=33...(11) HA THR 25 - HE2 LYS 24 poor 14 72 20 - 6.4-9.3 HA ALA 28 - HE2 LYS 26 poor 14 52 50 54 4.7-9.5 ~10771=29, 3.6/6337=9...(8) HA LYS 31 - HE2 LYS 26 far 13 89 15 - 6.4-11.5 HA ARG 84 - HE3 LYS 86 far 13 85 15 - 6.6-8.1 HA ARG 23 - HE3 LYS 26 far 11 75 15 - 5.5-9.8 HA ARG 23 - HE2 LYS 26 far 11 75 15 - 6.5-11.3 HA THR 25 - HE3 LYS 24 far 11 72 15 - 6.6-9.1 HA ALA 28 - HE3 LYS 26 poor 11 52 40 52 5.1-9.5 ~10771=29, 10776/9008=8...(8) HA LYS 19 - HE3 LYS 24 far 10 100 10 - 5.0-13.6 HA LYS 19 - HE2 LYS 24 far 10 100 10 - 5.8-13.5 HA LYS 31 - HE3 LYS 26 far 9 89 10 - 6.8-12.3 HA THR 18 - HE3 LYS 24 far 7 70 10 - 6.6-13.8 HA ALA 16 - HE3 LYS 19 lone 6 95 50 12 2.8-10.3 7131/7.3=2, 11966/10705=2 HA ALA 16 - HE2 LYS 19 lone 5 98 45 12 2.4-9.8 7131/7.3=2, 11966/10705=2 HA LYS 19 - HE2 LYS 31 far 5 98 5 - 7.1-26.6 HA PHE 87 - HE3 LYS 19 far 5 98 5 - 7.2-42.2 HA ALA 16 - HE2 LYS 31 far 5 95 5 - 6.9-30.4 HA LYS 19 - HE3 LYS 31 far 5 94 5 - 6.3-26.2 HA LEU 22 - HE3 LYS 26 far 5 94 5 - 6.5-14.0 HA LEU 22 - HE2 LYS 26 far 5 94 5 - 6.9-15.6 HA LYS 36 - HE2 LYS 26 far 5 91 5 - 4.3-11.5 HA LYS 36 - HE3 LYS 26 far 5 91 5 - 5.8-13.1 HA ALA 12 - HE2 LYS 19 far 4 87 5 - 6.0-22.2 HA ALA 12 - HE3 LYS 19 far 4 83 5 - 6.5-22.7 HA ALA 12 - HE2 LYS 31 far 4 83 5 - 7.0-40.4 HA ARG 23 - HE2 LYS 31 far 4 81 5 - 5.0-20.1 HA ALA 12 - HE3 LYS 31 far 4 77 5 - 6.1-40.4 HA ALA 21 - HE3 LYS 86 far 4 76 5 - 6.1-29.7 HA ARG 23 - HE3 LYS 31 far 4 75 5 - 5.8-19.4 HA SER 74 - HE2 LYS 19 far 4 73 5 - 5.8-36.2 HA SER 74 - HE3 LYS 19 far 3 69 5 - 5.2-36.6 HA ALA 21 - HE3 LYS 31 far 3 66 5 - 7.2-25.5 HA ALA 21 - HE2 LYS 24 lone 1 75 40 4 4.2-11.2 HA ALA 21 - HE3 LYS 24 lone 1 75 35 4 3.4-10.6 HA ALA 15 - HE2 LYS 19 lone 1 87 35 3 3.3-12.8 HA ALA 15 - HE3 LYS 19 lone 1 83 30 3 4.2-13.5 HA LYS 31 - HE3 LYS 36 far 0 97 0 - 7.4-9.6 HA LYS 26 - HE3 LYS 31 far 0 94 0 - 7.5-15.0 HA SER 74 - HE3 LYS 86 far 0 73 0 - 7.5-9.7 HA THR 18 - HE2 LYS 24 far 0 70 0 - 7.6-15.0 HA LYS 31 - HE2 LYS 36 far 0 97 0 - 7.6-9.8 HA ALA 21 - HE3 LYS 19 far 0 72 0 - 7.6-10.3 HA LEU 22 - HE3 LYS 86 far 0 100 0 - 7.9-26.6 HA THR 18 - HE3 LYS 86 far 0 71 0 - 7.9-33.5 HA ALA 12 - HE3 LYS 86 far 0 87 0 - 8.1-39.4 HA THR 18 - HE3 LYS 26 far 0 62 0 - 8.2-19.3 HA LYS 26 - HE2 LYS 31 far 0 98 0 - 8.2-15.4 HA ALA 21 - HE2 LYS 31 far 0 72 0 - 8.2-26.1 HA THR 18 - HE3 LYS 31 far 0 62 0 - 8.3-28.4 HA ALA 16 - HE3 LYS 31 far 0 90 0 - 8.4-30.7 HA ALA 21 - HE3 LYS 26 far 0 66 0 - 8.4-15.9 HA ALA 15 - HE3 LYS 86 far 0 87 0 - 8.5-39.8 HA PHE 87 - HE2 LYS 19 far 0 100 0 - 8.5-42.1 HA LYS 26 - HE3 LYS 24 far 0 100 0 - 8.6-11.9 HA ALA 21 - HE2 LYS 19 far 0 76 0 - 8.7-10.4 HA LYS 31 - HE3 LYS 19 far 0 94 0 - 8.7-28.4 HA THR 25 - HE2 LYS 19 far 0 73 0 - 8.8-18.5 HA GLN 27 - HE2 LYS 19 far 0 76 0 - 8.8-22.4 HA THR 25 - HE3 LYS 19 far 0 69 0 - 8.8-18.9 HA THR 18 - HE2 LYS 26 far 0 62 0 - 9.0-20.9 HA ALA 21 - HE2 LYS 26 far 0 66 0 - 9.0-17.3 HA ALA 15 - HE2 LYS 31 far 0 83 0 - 9.0-31.5 HA LEU 22 - HE3 LYS 31 far 0 94 0 - 9.0-24.6 HA ARG 23 - HE3 LYS 19 far 0 81 0 - 9.0-13.3 HA LEU 22 - HE2 LYS 31 far 0 98 0 - 9.1-24.1 HA ARG 23 - HE2 LYS 19 far 0 85 0 - 9.2-14.1 HA LYS 26 - HE2 LYS 24 far 0 100 0 - 9.3-11.8 HA LYS 19 - HE3 LYS 86 far 0 100 0 - 9.3-33.7 HA ALA 16 - HE3 LYS 86 far 0 98 0 - 9.5-38.9 HA LEU 22 - HE3 LYS 19 far 0 98 0 - 9.5-13.0 HA LYS 19 - HE3 LYS 26 far 0 94 0 - 9.6-19.2 HA SER 74 - HE3 LYS 24 far 0 72 0 - 9.6-24.1 HA LYS 26 - HE2 LYS 19 far 0 100 0 - 9.6-18.3 HA ARG 84 - HE3 LYS 19 far 0 81 0 - 9.7-44.8 HA THR 18 - HE2 LYS 31 far 0 67 0 - 9.7-28.5 HA LEU 22 - HE2 LYS 19 far 0 100 0 - 9.9-12.7 HA SER 74 - HE3 LYS 26 far 0 64 0 - 9.9-17.7 HA ARG 84 - HE2 LYS 19 far 0 85 0 - 9.9-44.9 HA LYS 31 - HE2 LYS 19 far 0 97 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 316 from cnoeabs.peaks (1.75, 2.96, 41.80 ppm; 5.17 A): 10 out of 44 assignments used, quality = 1.00: * HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.9-4.6 5.1=100 HB2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-5.4 5.1=100 HB2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 3.6-5.5 5.1=100 HB2 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.5-4.5 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 96 96 100 100 2.4-5.5 4.8=100 HB ILE 80 + HE3 LYS 86 OK 94 94 100 100 2.0-5.4 ~11777=62, ~11877=61...(20) HB2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 3.5-5.0 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 94 94 100 100 4.2-5.5 4.8=100 HB2 LYS 31 + HE3 LYS 31 OK 92 92 100 100 3.0-5.1 4.8=100 HG3 ARG 90 + HE3 LYS 86 OK 47 87 60 90 3.7-8.7 9651/9655=67...(6) HB2 LYS 31 - HE2 LYS 26 far 14 92 15 - 4.9-11.4 HB2 LYS 31 - HE3 LYS 26 far 9 92 10 - 4.4-12.1 HB2 ARG 23 - HE2 LYS 24 far 5 99 5 - 5.6-10.2 HB2 ARG 23 - HE2 LYS 31 far 5 97 5 - 4.8-21.9 HB2 ARG 23 - HE3 LYS 31 far 5 93 5 - 4.8-21.0 HB2 ARG 23 - HE3 LYS 26 far 5 93 5 - 5.2-11.7 HB2 ARG 23 - HE2 LYS 26 far 5 93 5 - 5.5-13.0 HG3 ARG 90 - HE2 LYS 19 far 4 87 5 - 4.9-38.8 HG3 ARG 90 - HE3 LYS 19 far 4 83 5 - 4.1-39.0 HB2 ARG 23 - HE3 LYS 24 far 0 99 0 - 6.2-9.9 HB2 LYS 19 - HE3 LYS 31 far 0 94 0 - 6.4-27.0 HB ILE 80 - HE3 LYS 19 far 0 91 0 - 6.5-38.3 HB2 LYS 26 - HE3 LYS 31 far 0 94 0 - 6.6-15.7 HB2 LYS 19 - HE3 LYS 24 far 0 100 0 - 6.8-15.7 HB2 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.8-15.8 HB2 LYS 19 - HE2 LYS 31 far 0 98 0 - 7.3-27.4 HB2 LYS 24 - HE3 LYS 26 far 0 94 0 - 7.4-9.9 HB2 LYS 24 - HE3 LYS 19 far 0 98 0 - 7.5-17.7 HB2 LYS 19 - HE2 LYS 24 far 0 100 0 - 7.8-15.4 HB2 LYS 24 - HE2 LYS 19 far 0 100 0 - 7.8-17.5 HB2 LYS 31 - HE3 LYS 19 far 0 96 0 - 7.9-25.8 HB2 ARG 23 - HE3 LYS 19 far 0 97 0 - 7.9-12.3 HB2 ARG 23 - HE3 LYS 86 far 0 100 0 - 8.0-27.8 HB ILE 80 - HE2 LYS 19 far 0 95 0 - 8.2-38.1 HB2 LYS 19 - HE3 LYS 86 far 0 100 0 - 8.3-35.8 HB2 LYS 24 - HE2 LYS 26 far 0 94 0 - 8.3-10.9 HB2 LYS 31 - HE2 LYS 24 far 0 98 0 - 8.4-21.1 HB2 LYS 31 - HE2 LYS 19 far 0 99 0 - 8.4-24.2 HB2 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.4-11.9 HB2 ARG 23 - HE2 LYS 19 far 0 100 0 - 8.5-13.2 HB2 LYS 19 - HE3 LYS 26 far 0 94 0 - 8.5-20.9 HB2 LYS 31 - HE2 LYS 36 far 0 99 0 - 8.8-11.9 HB2 LYS 19 - HE2 LYS 26 far 0 94 0 - 9.3-21.9 HB2 LYS 31 - HE3 LYS 24 far 0 98 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 317 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 6.24 A): 13 out of 63 assignments used, quality = 1.00: * HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 3.3-5.4 5.1=100 HB3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-5.0 5.1=100 HB3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.4-4.6 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.5-4.5 4.9=100 HB2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.8-4.2 4.9=100 HB3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.0-5.3 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 3.2-5.4 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.2-5.0 4.8=100 HB ILE 32 + HE2 LYS 26 OK 92 92 100 100 4.9-6.6 2.1/10766=78, 10825=73...(43) HB3 LYS 26 + HE2 LYS 26 OK 92 92 100 100 3.6-5.0 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 92 92 100 100 3.7-4.6 4.8=100 HB2 LYS 86 + HE3 LYS 86 OK 89 89 100 100 1.8-3.6 4.9=100 HB ILE 32 + HE3 LYS 26 OK 32 92 35 100 4.6-7.5 ~10766=75, ~10840=74...(55) HB3 ARG 23 - HE2 LYS 24 poor 19 96 20 - 4.7-9.9 HB3 ARG 23 - HE3 LYS 24 poor 19 96 20 - 6.1-9.9 HB ILE 32 - HE2 LYS 31 far 10 97 10 - 6.3-10.3 HB3 LYS 31 - HE3 LYS 26 far 9 94 10 - 6.0-13.3 HB3 LYS 31 - HE2 LYS 26 far 9 94 10 - 6.3-12.4 HB3 ARG 23 - HE3 LYS 26 far 9 88 10 - 3.7-11.8 HB3 ARG 23 - HE2 LYS 26 far 9 88 10 - 4.6-12.5 HB3 LYS 19 - HE3 LYS 24 far 5 100 5 - 5.6-14.9 HB3 LYS 19 - HE2 LYS 24 far 5 100 5 - 6.7-14.4 HB3 LYS 19 - HE2 LYS 31 far 5 98 5 - 5.6-25.7 HB3 LYS 26 - HE2 LYS 31 far 5 96 5 - 6.8-14.2 HB3 LYS 19 - HE3 LYS 31 far 5 94 5 - 4.9-25.2 HB3 ARG 23 - HE2 LYS 31 far 5 93 5 - 6.2-23.1 HB2 LYS 36 - HE2 LYS 26 far 5 93 5 - 5.4-11.8 HB3 LYS 26 - HE3 LYS 31 far 5 92 5 - 6.5-14.0 HB3 ARG 23 - HE3 LYS 31 far 4 88 5 - 6.4-22.1 HB2 CYS 79 - HE3 LYS 86 far 0 65 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 100 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 99 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 100 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 92 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 84 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 93 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 86 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 94 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 99 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 90 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 94 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 97 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 94 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 98 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 61 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 89 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 94 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 93 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 90 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 57 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 96 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 98 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 100 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 93 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 100 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 57 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 97 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 99 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 65 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 64 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 318 from cnoeabs.peaks (1.36, 2.96, 41.80 ppm; 5.06 A): 11 out of 75 assignments used, quality = 1.00: * HG2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.8-3.7 3.8=100 HG2 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.1-4.1 3.8=100 HG2 LYS 24 + HE3 LYS 24 OK 91 91 100 100 2.0-4.2 4.0=100 HG2 LYS 24 + HE2 LYS 24 OK 91 91 100 100 2.1-4.1 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 90 90 100 100 3.1-4.1 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 89 89 100 100 3.1-4.2 4.0=100 HG3 LYS 26 + HE3 LYS 26 OK 79 79 100 100 2.0-3.4 3.6=100 HG3 LYS 26 + HE2 LYS 26 OK 79 79 100 100 2.3-3.8 3.6=100 HG3 LYS 31 + HE2 LYS 31 OK 64 64 100 100 2.1-4.2 3.7=100 HG3 LYS 31 + HE3 LYS 31 OK 59 59 100 100 2.0-4.0 3.7=100 QB ALA 29 + HE2 LYS 26 OK 21 81 40 64 3.3-7.6 10739/9008=32...(12) QB ALA 21 - HE3 LYS 24 poor 19 75 25 - 4.5-9.2 QB ALA 15 - HE3 LYS 19 far 12 83 15 - 4.1-12.5 QB ALA 29 - HE3 LYS 26 far 12 81 15 - 4.1-8.3 QB ALA 12 - HE2 LYS 31 far 10 97 10 - 4.1-33.9 QB ALA 21 - HE3 LYS 19 far 7 72 10 - 5.3-8.1 HG2 LYS 19 - HE3 LYS 31 far 5 94 5 - 4.6-26.0 QB ALA 12 - HE3 LYS 31 far 5 93 5 - 3.6-33.9 QB ALA 21 - HE3 LYS 86 far 4 76 5 - 4.6-25.6 QB ALA 21 - HE2 LYS 24 lone 1 75 30 4 4.7-9.7 10726/865=2 QB ALA 15 - HE2 LYS 19 lone 0 87 35 1 3.9-11.9 QB ALA 15 - HE3 LYS 86 far 0 87 0 - 5.8-32.2 QB ALA 21 - HE3 LYS 26 far 0 66 0 - 5.9-14.2 QB ALA 28 - HE2 LYS 26 far 0 75 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 59 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 98 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 59 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 75 0 - 6.1-9.5 QB ALA 21 - HE2 LYS 19 far 0 76 0 - 6.3-8.4 HG3 LYS 31 - HE3 LYS 36 far 0 67 0 - 6.3-11.5 QB ALA 12 - HE2 LYS 19 far 0 100 0 - 6.4-19.1 QB ALA 12 - HE3 LYS 19 far 0 97 0 - 6.5-19.6 HG2 LYS 19 - HE3 LYS 24 far 0 100 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 68 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 100 0 - 6.8-34.9 QB ALA 21 - HE2 LYS 26 far 0 66 0 - 6.9-15.6 QB ALA 29 - HE3 LYS 36 far 0 89 0 - 6.9-10.3 QB ALA 21 - HE3 LYS 31 far 0 66 0 - 6.9-22.6 QB ALA 29 - HE2 LYS 36 far 0 90 0 - 7.1-9.7 HG2 LYS 36 - HE2 LYS 26 far 0 81 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 86 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 77 0 - 7.5-22.4 QB ALA 29 - HE3 LYS 31 far 0 81 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 64 0 - 7.7-28.1 QB ALA 21 - HE2 LYS 31 far 0 72 0 - 7.8-22.6 QB ALA 28 - HE2 LYS 31 far 0 81 0 - 7.8-11.0 QB ALA 28 - HE3 LYS 24 far 0 84 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 100 0 - 8.0-15.1 QB ALA 28 - HE3 LYS 31 far 0 75 0 - 8.0-11.2 QB ALA 12 - HE3 LYS 86 far 0 100 0 - 8.1-32.9 HG3 LYS 31 - HE2 LYS 24 far 0 67 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 84 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 77 0 - 8.3-23.7 HG3 LYS 26 - HE3 LYS 31 far 0 79 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 68 0 - 8.6-26.5 HG2 LYS 24 - HE3 LYS 26 far 0 82 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 94 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 84 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 81 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 94 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 89 0 - 9.1-20.4 QB ALA 15 - HE2 LYS 31 far 0 83 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 88 0 - 9.3-15.5 QB ALA 12 - HE2 LYS 36 far 0 100 0 - 9.4-36.4 HG2 LYS 36 - HE2 LYS 31 far 0 86 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 88 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 92 0 - 9.7-15.4 QB ALA 12 - HE3 LYS 36 far 0 99 0 - 9.7-37.6 HG3 LYS 26 - HE3 LYS 19 far 0 84 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 88 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 67 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 82 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 86 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 88 0 - 9.9-12.6 HG2 LYS 24 - HE3 LYS 31 far 0 82 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 319 from cnoeabs.peaks (1.44, 2.96, 41.80 ppm; 4.90 A): 12 out of 56 assignments used, quality = 1.00: * HG3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-3.9 3.8=100 HG3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.3-4.0 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.3-3.9 4.0=100 HG3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.2-3.7 3.8=100 HG2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.1-4.0 3.7=100 HG2 LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.0-4.2 3.7=100 HG2 LYS 26 + HE3 LYS 26 OK 88 88 100 100 2.2-3.8 3.6=100 HG2 LYS 26 + HE2 LYS 26 OK 88 88 100 100 2.7-4.1 3.6=100 HG3 LYS 36 + HE2 LYS 36 OK 76 76 100 100 2.0-3.5 4.0=100 HG2 LYS 86 + HE3 LYS 86 OK 76 76 100 100 2.5-3.7 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 75 75 100 100 2.0-3.5 4.0=100 HG13 ILE 32 + HE2 LYS 26 OK 51 93 55 100 3.5-6.7 3.2/10766=63, ~10767=49...(40) HG13 ILE 32 - HE3 LYS 26 poor 19 93 20 - 4.5-7.4 QB ALA 34 - HE2 LYS 26 poor 16 62 80 32 3.1-7.1 908/10766=26, 6364/865=5...(4) HG3 LYS 19 - HE3 LYS 31 far 5 94 5 - 4.4-25.7 QB ALA 34 - HE3 LYS 26 lone 4 62 55 12 4.0-7.8 908/10766=7, 6364/865=2...(4) HG3 LYS 19 - HE2 LYS 31 far 0 98 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 100 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 94 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 94 0 - 6.5-13.4 HG2 LYS 26 - HE2 LYS 31 far 0 93 0 - 6.6-15.6 HG13 ILE 32 - HE2 LYS 31 far 0 97 0 - 6.7-10.1 HG2 LYS 86 - HE3 LYS 19 far 0 72 0 - 6.8-38.5 HG13 ILE 32 - HE3 LYS 31 far 0 93 0 - 6.9-10.1 HG2 LYS 26 - HE3 LYS 31 far 0 88 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 100 0 - 7.0-15.8 HG3 LYS 36 - HE2 LYS 26 far 0 66 0 - 7.1-13.4 QB ALA 34 - HE2 LYS 19 far 0 71 0 - 7.3-24.1 HG3 LYS 19 - HE3 LYS 26 far 0 94 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-12.4 QB ALA 34 - HE2 LYS 31 far 0 67 0 - 7.5-11.5 HG3 LYS 19 - HE2 LYS 26 far 0 94 0 - 7.6-21.0 QB ALA 34 - HE3 LYS 36 far 0 70 0 - 7.6-8.5 HG2 LYS 31 - HE3 LYS 19 far 0 98 0 - 7.7-26.4 QB ALA 34 - HE2 LYS 36 far 0 71 0 - 7.9-8.4 HG2 LYS 31 - HE2 LYS 36 far 0 100 0 - 8.0-11.8 QB ALA 34 - HE3 LYS 31 far 0 62 0 - 8.0-12.3 HG2 LYS 86 - HE2 LYS 19 far 0 76 0 - 8.4-38.3 HG2 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 100 0 - 8.4-15.9 QB ALA 34 - HE3 LYS 19 far 0 67 0 - 8.5-24.4 HG3 LYS 24 - HE3 LYS 19 far 0 98 0 - 8.6-17.0 QB ALA 34 - HE3 LYS 86 far 0 71 0 - 8.7-11.0 HG3 LYS 36 - HE3 LYS 26 far 0 66 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 72 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 100 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 99 0 - 9.0-11.0 HG3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 94 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 100 0 - 9.4-11.1 QB ALA 92 - HE3 LYS 86 far 0 93 0 - 9.6-11.3 HG3 LYS 24 - HE2 LYS 26 far 0 94 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 66 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 100 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 96 0 - 9.8-14.5 QB ALA 34 - HE3 LYS 24 far 0 70 0 - 9.9-15.9 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 83 assignments used, quality = 1.00: * HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 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 2.2-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 97 97 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 97 97 100 100 2.8-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 96 96 100 100 2.3-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 95 95 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 90 90 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 90 90 100 100 2.3-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 88 88 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 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 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 80 80 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 80 80 100 100 2.4-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 80 80 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 80 80 100 100 2.5-3.0 3.0=100 HG3 ARG 23 - HE3 LYS 26 far 7 66 10 - 3.3-12.6 HG3 ARG 23 - HE3 LYS 24 far 4 75 5 - 4.3-9.9 HG3 ARG 23 - HE2 LYS 26 far 3 66 5 - 3.7-14.0 HG3 ARG 23 - HE2 LYS 24 far 0 75 0 - 4.9-10.6 HD3 LYS 86 - HE3 LYS 19 far 0 94 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 94 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 92 0 - 5.6-26.9 HG3 ARG 23 - HE2 LYS 31 far 0 72 0 - 5.6-22.2 HD3 LYS 31 - HE3 LYS 19 far 0 93 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 96 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 97 0 - 6.2-37.3 HG3 ARG 23 - HE3 LYS 31 far 0 66 0 - 6.2-22.3 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 88 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 90 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 87 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 71 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 97 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 95 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 94 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 76 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 94 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 98 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 96 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 96 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 71 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 95 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 96 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 96 0 - 7.5-13.2 HG3 ARG 23 - HE3 LYS 86 far 0 76 0 - 7.5-26.1 HD2 LYS 26 - HE2 LYS 31 far 0 93 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 71 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 88 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 76 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 98 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 87 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 71 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 100 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 88 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 96 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 71 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 100 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.7-16.7 HG3 ARG 23 - HE3 LYS 19 far 0 72 0 - 8.8-14.2 HD2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 71 0 - 9.0-13.8 HG3 ARG 23 - HE3 LYS 36 far 0 75 0 - 9.1-23.6 HD3 LYS 24 - HE3 LYS 26 far 0 88 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 92 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 96 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 87 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 97 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 100 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 96 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 93 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 98 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 94 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 94 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 100 0 - 9.9-17.4 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 83 assignments used, quality = 1.00: HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 * HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 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 2.2-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 97 97 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 97 97 100 100 2.8-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 96 96 100 100 2.3-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 95 95 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 90 90 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 90 90 100 100 2.3-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 88 88 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 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 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 80 80 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 80 80 100 100 2.4-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 80 80 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 80 80 100 100 2.5-3.0 3.0=100 HG3 ARG 23 - HE3 LYS 26 far 7 66 10 - 3.3-12.6 HG3 ARG 23 - HE3 LYS 24 far 4 75 5 - 4.3-9.9 HG3 ARG 23 - HE2 LYS 26 far 3 66 5 - 3.7-14.0 HG3 ARG 23 - HE2 LYS 24 far 0 75 0 - 4.9-10.6 HD3 LYS 86 - HE3 LYS 19 far 0 94 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 94 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 92 0 - 5.6-26.9 HG3 ARG 23 - HE2 LYS 31 far 0 72 0 - 5.6-22.2 HD3 LYS 31 - HE3 LYS 19 far 0 93 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 96 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 97 0 - 6.2-37.3 HG3 ARG 23 - HE3 LYS 31 far 0 66 0 - 6.2-22.3 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 88 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 90 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 87 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 71 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 97 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 95 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 94 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 76 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 94 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 98 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 96 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 96 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 71 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 95 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 96 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 96 0 - 7.5-13.2 HG3 ARG 23 - HE3 LYS 86 far 0 76 0 - 7.5-26.1 HD2 LYS 26 - HE2 LYS 31 far 0 93 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 71 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 88 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 76 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 98 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 87 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 71 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 100 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 88 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 96 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 71 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 100 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.7-16.7 HG3 ARG 23 - HE3 LYS 19 far 0 72 0 - 8.8-14.2 HD2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 71 0 - 9.0-13.8 HG3 ARG 23 - HE3 LYS 36 far 0 75 0 - 9.1-23.6 HD3 LYS 24 - HE3 LYS 26 far 0 88 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 92 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 96 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 87 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 97 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 100 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 96 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 93 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 98 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 94 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 94 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 100 0 - 9.9-17.4 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): 13 out of 98 assignments used, quality = 1.00: HA LYS 31 + HE2 LYS 31 OK 96 97 100 99 2.1-5.2 6.5=64, 822/3.7=36...(27) HA LYS 31 + HE3 LYS 31 OK 96 97 100 99 2.0-5.9 6.5=64, 822/3.7=36...(27) HA LYS 19 + HE2 LYS 19 OK 93 98 95 99 5.1-6.2 6.4=66, 271/3.8=32...(35) HA LYS 26 + HE3 LYS 26 OK 93 100 95 98 3.0-6.3 6.6=60, 627/3.6=31...(22) * HA LYS 19 + HE3 LYS 19 OK 89 100 90 99 4.9-6.3 6.4=66, 271/3.8=32...(35) HA LYS 36 + HE3 LYS 36 OK 78 98 80 100 5.0-6.5 6.0=81, 3.0/1064=43...(23) HA LYS 26 + HE2 LYS 26 OK 69 100 70 98 3.7-6.4 6.6=60, 627/3.6=31...(23) HA PHE 87 + HE3 LYS 86 OK 67 99 70 96 4.1-7.3 4.9/2704=69...(10) HA THR 25 + HE3 LYS 26 OK 66 72 100 91 3.5-5.7 11150/3.6=54, 9587=53...(7) HA LYS 36 + HE2 LYS 36 OK 47 94 50 100 5.2-6.5 6.0=81, 3.0/1064=43...(23) HA THR 25 + HE2 LYS 26 OK 39 72 60 90 4.4-6.6 11150/3.6=54...(7) HA LEU 22 + HE3 LYS 24 OK 36 100 70 52 3.2-7.5 11967/4.0=17...(8) HA LEU 22 + HE2 LYS 24 OK 32 94 70 48 2.6-9.0 11967/4.0=17, 282/4.0=10...(8) HA GLN 27 - HE2 LYS 26 poor 19 75 25 - 2.1-8.9 HA ALA 21 - HE3 LYS 24 poor 19 75 25 - 3.4-10.6 HA ALA 28 - HE2 LYS 26 poor 18 59 30 - 4.7-9.5 HA THR 18 - HE3 LYS 19 poor 18 71 25 - 5.2-8.0 HA ALA 21 - HE2 LYS 24 poor 17 66 25 - 4.2-11.2 HA ALA 15 - HE2 LYS 19 poor 17 83 20 - 3.3-12.8 HA GLN 27 - HE3 LYS 26 poor 16 75 35 59 2.9-8.6 ~6266=23, ~6267=23...(10) HA ARG 23 - HE2 LYS 24 poor 15 75 20 - 5.3-8.2 HA ALA 15 - HE3 LYS 19 far 13 87 15 - 4.2-13.5 HA ARG 23 - HE3 LYS 26 far 13 84 15 - 5.5-9.8 HA ALA 28 - HE3 LYS 26 poor 12 59 20 - 5.1-9.5 HA THR 18 - HE2 LYS 19 far 7 67 10 - 5.5-8.1 HA LYS 19 - HE3 LYS 24 far 5 100 5 - 5.0-13.6 HA LYS 36 - HE2 LYS 26 far 5 98 5 - 4.3-11.5 HA LYS 36 - HE3 LYS 26 far 5 98 5 - 5.8-13.1 HA LYS 19 - HE2 LYS 24 far 5 94 5 - 5.8-13.5 HA ALA 12 - HE3 LYS 31 far 4 86 5 - 6.1-40.4 HA ARG 23 - HE2 LYS 31 far 4 85 5 - 5.0-20.1 HA ARG 23 - HE3 LYS 24 far 4 84 5 - 4.4-8.2 HA ARG 23 - HE3 LYS 31 far 4 84 5 - 5.8-19.4 HA ALA 12 - HE2 LYS 19 far 4 83 5 - 6.0-22.2 HA ALA 16 - HE3 LYS 19 lone 4 98 45 8 2.8-10.3 7131/7.3=2, 11966/10705=1 HA SER 74 - HE3 LYS 19 far 4 73 5 - 5.2-36.6 HA ALA 21 - HE3 LYS 86 far 4 73 5 - 6.1-29.7 HA SER 74 - HE2 LYS 19 far 3 69 5 - 5.8-36.2 HA ALA 16 - HE2 LYS 19 lone 3 95 40 8 2.4-9.8 7131/7.3=2, 11966/10705=1 HA LYS 19 - HE3 LYS 31 far 0 100 0 - 6.3-26.2 HA LYS 31 - HE2 LYS 26 far 0 97 0 - 6.4-11.5 HA THR 25 - HE2 LYS 24 far 0 64 0 - 6.4-9.3 HA LEU 22 - HE3 LYS 26 far 0 100 0 - 6.5-14.0 HA ARG 23 - HE2 LYS 26 far 0 84 0 - 6.5-11.3 HA ALA 12 - HE3 LYS 19 far 0 87 0 - 6.5-22.7 HA ARG 84 - HE3 LYS 86 far 0 82 0 - 6.6-8.1 HA THR 25 - HE3 LYS 24 far 0 72 0 - 6.6-9.1 HA THR 18 - HE3 LYS 24 far 0 70 0 - 6.6-13.8 HA LYS 31 - HE3 LYS 26 far 0 97 0 - 6.8-12.3 HA ALA 16 - HE2 LYS 31 far 0 98 0 - 6.9-30.4 HA LEU 22 - HE2 LYS 26 far 0 100 0 - 6.9-15.6 HA ALA 12 - HE2 LYS 31 far 0 87 0 - 7.0-40.4 HA LYS 19 - HE2 LYS 31 far 0 100 0 - 7.1-26.6 HA ALA 21 - HE3 LYS 31 far 0 75 0 - 7.2-25.5 HA PHE 87 - HE3 LYS 19 far 0 100 0 - 7.2-42.2 HA LYS 31 - HE3 LYS 36 far 0 97 0 - 7.4-9.6 HA LYS 26 - HE3 LYS 31 far 0 100 0 - 7.5-15.0 HA SER 74 - HE3 LYS 86 far 0 70 0 - 7.5-9.7 HA THR 18 - HE2 LYS 24 far 0 62 0 - 7.6-15.0 HA LYS 31 - HE2 LYS 36 far 0 93 0 - 7.6-9.8 HA ALA 21 - HE3 LYS 19 far 0 76 0 - 7.6-10.3 HA LEU 22 - HE3 LYS 86 far 0 99 0 - 7.9-26.6 HA THR 18 - HE3 LYS 86 far 0 68 0 - 7.9-33.5 HA ALA 12 - HE3 LYS 86 far 0 84 0 - 8.1-39.4 HA THR 18 - HE3 LYS 26 far 0 70 0 - 8.2-19.3 HA LYS 26 - HE2 LYS 31 far 0 100 0 - 8.2-15.4 HA ALA 21 - HE2 LYS 31 far 0 76 0 - 8.2-26.1 HA THR 18 - HE3 LYS 31 far 0 70 0 - 8.3-28.4 HA ALA 16 - HE3 LYS 31 far 0 97 0 - 8.4-30.7 HA ALA 21 - HE3 LYS 26 far 0 75 0 - 8.4-15.9 HA ALA 15 - HE3 LYS 86 far 0 84 0 - 8.5-39.8 HA PHE 87 - HE2 LYS 19 far 0 98 0 - 8.5-42.1 HA LYS 26 - HE3 LYS 24 far 0 100 0 - 8.6-11.9 HA ALA 21 - HE2 LYS 19 far 0 72 0 - 8.7-10.4 HA LYS 31 - HE3 LYS 19 far 0 97 0 - 8.7-28.4 HA THR 25 - HE2 LYS 19 far 0 69 0 - 8.8-18.5 HA GLN 27 - HE2 LYS 19 far 0 72 0 - 8.8-22.4 HA THR 25 - HE3 LYS 19 far 0 73 0 - 8.8-18.9 HA THR 18 - HE2 LYS 26 far 0 70 0 - 9.0-20.9 HA ALA 21 - HE2 LYS 26 far 0 75 0 - 9.0-17.3 HA ALA 15 - HE2 LYS 31 far 0 87 0 - 9.0-31.5 HA LEU 22 - HE3 LYS 31 far 0 100 0 - 9.0-24.6 HA ARG 23 - HE3 LYS 19 far 0 85 0 - 9.0-13.3 HA LEU 22 - HE2 LYS 31 far 0 100 0 - 9.1-24.1 HA ARG 23 - HE2 LYS 19 far 0 81 0 - 9.2-14.1 HA LYS 26 - HE2 LYS 24 far 0 94 0 - 9.3-11.8 HA LYS 19 - HE3 LYS 86 far 0 99 0 - 9.3-33.7 HA ALA 16 - HE3 LYS 86 far 0 96 0 - 9.5-38.9 HA LEU 22 - HE3 LYS 19 far 0 100 0 - 9.5-13.0 HA LYS 19 - HE3 LYS 26 far 0 100 0 - 9.6-19.2 HA SER 74 - HE3 LYS 24 far 0 72 0 - 9.6-24.1 HA LYS 26 - HE2 LYS 19 far 0 98 0 - 9.6-18.3 HA ARG 84 - HE3 LYS 19 far 0 85 0 - 9.7-44.8 HA THR 18 - HE2 LYS 31 far 0 71 0 - 9.7-28.5 HA LEU 22 - HE2 LYS 19 far 0 98 0 - 9.9-12.7 HA SER 74 - HE3 LYS 26 far 0 72 0 - 9.9-17.7 HA ARG 84 - HE2 LYS 19 far 0 81 0 - 9.9-44.9 HA LYS 31 - HE2 LYS 19 far 0 94 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 327 from cnoeabs.peaks (1.75, 2.96, 41.80 ppm; 4.58 A): 10 out of 44 assignments used, quality = 1.00: * HB2 LYS 19 + HE3 LYS 19 OK 99 100 100 99 2.5-4.5 5.1=73, 6149/7.3=25...(64) HB2 LYS 26 + HE3 LYS 26 OK 99 100 100 99 3.5-5.0 4.8=87, 6250/7.1=27...(57) HB2 LYS 31 + HE3 LYS 31 OK 98 98 100 99 3.0-5.1 4.8=85, 6331/7.1=27...(56) HB2 LYS 19 + HE2 LYS 19 OK 97 98 100 99 2.9-4.6 5.1=73, 6149/7.3=25...(64) HB2 LYS 24 + HE3 LYS 24 OK 93 100 95 98 2.2-5.4 5.1=74, 6220/7.4=23...(30) HB2 LYS 24 + HE2 LYS 24 OK 87 94 95 98 3.6-5.5 5.1=74, 6220/7.4=23...(30) HB2 LYS 31 + HE2 LYS 31 OK 84 99 85 99 2.4-5.5 4.8=85, 6331/7.1=27...(56) HB2 LYS 26 + HE2 LYS 26 OK 59 100 60 99 4.2-5.5 4.8=87, 6250/7.1=27...(58) HG3 ARG 90 + HE3 LYS 86 OK 40 84 60 79 3.7-8.7 9651/9655=52...(6) HB ILE 80 + HE3 LYS 86 OK 28 92 30 100 2.0-5.4 ~11777=49, ~11877=48...(20) HB2 LYS 31 - HE3 LYS 26 far 10 98 10 - 4.4-12.1 HB2 LYS 31 - HE2 LYS 26 far 10 98 10 - 4.9-11.4 HB2 ARG 23 - HE2 LYS 31 far 5 100 5 - 4.8-21.9 HB2 ARG 23 - HE3 LYS 31 far 5 99 5 - 4.8-21.0 HB2 ARG 23 - HE3 LYS 26 far 5 99 5 - 5.2-11.7 HG3 ARG 90 - HE3 LYS 19 far 4 87 5 - 4.1-39.0 HG3 ARG 90 - HE2 LYS 19 far 4 83 5 - 4.9-38.8 HB2 ARG 23 - HE2 LYS 26 far 0 99 0 - 5.5-13.0 HB2 ARG 23 - HE2 LYS 24 far 0 93 0 - 5.6-10.2 HB2 ARG 23 - HE3 LYS 24 far 0 99 0 - 6.2-9.9 HB2 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.4-27.0 HB ILE 80 - HE3 LYS 19 far 0 95 0 - 6.5-38.3 HB2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.6-15.7 HB2 LYS 19 - HE3 LYS 24 far 0 100 0 - 6.8-15.7 HB2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.8-15.8 HB2 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.3-27.4 HB2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.4-9.9 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 7.5-17.7 HB2 LYS 19 - HE2 LYS 24 far 0 94 0 - 7.8-15.4 HB2 LYS 24 - HE2 LYS 19 far 0 98 0 - 7.8-17.5 HB2 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.9-25.8 HB2 ARG 23 - HE3 LYS 19 far 0 100 0 - 7.9-12.3 HB2 ARG 23 - HE3 LYS 86 far 0 98 0 - 8.0-27.8 HB ILE 80 - HE2 LYS 19 far 0 91 0 - 8.2-38.1 HB2 LYS 19 - HE3 LYS 86 far 0 99 0 - 8.3-35.8 HB2 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-10.9 HB2 LYS 31 - HE2 LYS 24 far 0 92 0 - 8.4-21.1 HB2 LYS 31 - HE2 LYS 19 far 0 96 0 - 8.4-24.2 HB2 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.4-11.9 HB2 ARG 23 - HE2 LYS 19 far 0 97 0 - 8.5-13.2 HB2 LYS 19 - HE3 LYS 26 far 0 100 0 - 8.5-20.9 HB2 LYS 31 - HE2 LYS 36 far 0 95 0 - 8.8-11.9 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.3-21.9 HB2 LYS 31 - HE3 LYS 24 far 0 98 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 328 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 5.30 A): 12 out of 63 assignments used, quality = 1.00: HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-5.3 4.8=100 * HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 3.2-5.4 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-5.0 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.4-4.6 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.8-4.2 4.9=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 3.6-5.0 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 3.7-4.6 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 3.3-5.4 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.5-4.5 4.9=100 HB3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.0-5.0 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 86 86 100 100 1.8-3.6 4.9=100 HB ILE 32 + HE2 LYS 26 OK 79 99 80 100 4.9-6.6 2.1/10766=78...(43) HB3 ARG 23 - HE2 LYS 26 far 10 96 10 - 4.6-12.5 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 5.6-25.7 HB3 LYS 19 - HE3 LYS 31 far 5 100 5 - 4.9-25.2 HB3 LYS 19 - HE3 LYS 24 far 5 100 5 - 5.6-14.9 HB2 LYS 36 - HE2 LYS 26 far 5 99 5 - 5.4-11.8 HB ILE 32 - HE3 LYS 26 far 5 99 5 - 4.6-7.5 HB3 ARG 23 - HE3 LYS 26 far 5 96 5 - 3.7-11.8 HB3 ARG 23 - HE2 LYS 24 far 4 88 5 - 4.7-9.9 HB3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.0-13.3 HB3 ARG 23 - HE3 LYS 24 far 0 96 0 - 6.1-9.9 HB3 ARG 23 - HE2 LYS 31 far 0 97 0 - 6.2-23.1 HB ILE 32 - HE2 LYS 31 far 0 99 0 - 6.3-10.3 HB3 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.3-12.4 HB3 ARG 23 - HE3 LYS 31 far 0 96 0 - 6.4-22.1 HB3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-14.0 HB3 LYS 19 - HE2 LYS 24 far 0 94 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 99 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 63 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 99 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 99 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 99 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 99 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 89 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 99 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 90 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 100 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 96 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 86 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 98 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 65 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 84 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 99 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 87 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 64 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 94 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 100 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 100 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 98 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 97 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 94 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 64 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 93 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 98 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 61 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 64 0 - 9.9-24.5 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 75 assignments used, quality = 1.00: * HG2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.1-4.1 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.8-3.7 3.8=100 HG3 LYS 26 + HE3 LYS 26 OK 88 88 100 100 2.0-3.4 3.6=100 HG3 LYS 26 + HE2 LYS 26 OK 88 88 100 100 2.3-3.8 3.6=100 HG2 LYS 24 + HE3 LYS 24 OK 87 91 100 96 2.0-4.2 4.0=89, 483/6.4=20...(19) HG2 LYS 36 + HE3 LYS 36 OK 87 89 100 97 3.1-4.2 4.0=88, 3.0/1064=24...(21) HG2 LYS 36 + HE2 LYS 36 OK 82 85 100 97 3.1-4.1 4.0=88, 3.0/1064=24...(21) HG2 LYS 24 + HE2 LYS 24 OK 79 82 100 96 2.1-4.1 4.0=89, 483/6.4=20...(19) HG3 LYS 31 + HE2 LYS 31 OK 68 68 100 100 2.1-4.2 3.7=100 HG3 LYS 31 + HE3 LYS 31 OK 67 67 100 100 2.0-4.0 3.7=100 QB ALA 29 - HE2 LYS 26 far 9 89 10 - 3.3-7.6 QB ALA 15 - HE3 LYS 19 far 9 87 10 - 4.1-12.5 QB ALA 15 - HE2 LYS 19 far 8 83 10 - 3.9-11.9 QB ALA 12 - HE2 LYS 31 far 5 100 5 - 4.1-33.9 QB ALA 12 - HE3 LYS 31 far 5 99 5 - 3.6-33.9 QB ALA 29 - HE3 LYS 26 far 4 89 5 - 4.1-8.3 QB ALA 21 - HE3 LYS 24 far 0 75 0 - 4.5-9.2 QB ALA 21 - HE3 LYS 86 far 0 73 0 - 4.6-25.6 HG2 LYS 19 - HE3 LYS 31 far 0 100 0 - 4.6-26.0 QB ALA 21 - HE2 LYS 24 far 0 66 0 - 4.7-9.7 QB ALA 21 - HE3 LYS 19 far 0 76 0 - 5.3-8.1 QB ALA 15 - HE3 LYS 86 far 0 84 0 - 5.8-32.2 QB ALA 21 - HE3 LYS 26 far 0 75 0 - 5.9-14.2 QB ALA 28 - HE2 LYS 26 far 0 84 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 67 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 67 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 84 0 - 6.1-9.5 QB ALA 21 - HE2 LYS 19 far 0 72 0 - 6.3-8.4 HG3 LYS 31 - HE3 LYS 36 far 0 67 0 - 6.3-11.5 QB ALA 12 - HE2 LYS 19 far 0 97 0 - 6.4-19.1 QB ALA 12 - HE3 LYS 19 far 0 100 0 - 6.5-19.6 HG2 LYS 19 - HE3 LYS 24 far 0 100 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 63 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 99 0 - 6.8-34.9 QB ALA 21 - HE2 LYS 26 far 0 75 0 - 6.9-15.6 QB ALA 29 - HE3 LYS 36 far 0 89 0 - 6.9-10.3 QB ALA 21 - HE3 LYS 31 far 0 75 0 - 6.9-22.6 QB ALA 29 - HE2 LYS 36 far 0 85 0 - 7.1-9.7 HG2 LYS 36 - HE2 LYS 26 far 0 89 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 90 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 86 0 - 7.5-22.4 QB ALA 29 - HE3 LYS 31 far 0 89 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 68 0 - 7.7-28.1 QB ALA 21 - HE2 LYS 31 far 0 76 0 - 7.8-22.6 QB ALA 28 - HE2 LYS 31 far 0 85 0 - 7.8-11.0 QB ALA 28 - HE3 LYS 24 far 0 84 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 94 0 - 8.0-15.1 QB ALA 28 - HE3 LYS 31 far 0 84 0 - 8.0-11.2 QB ALA 12 - HE3 LYS 86 far 0 98 0 - 8.1-32.9 HG3 LYS 31 - HE2 LYS 24 far 0 59 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 89 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 86 0 - 8.3-23.7 HG3 LYS 26 - HE3 LYS 31 far 0 88 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 64 0 - 8.6-26.5 HG2 LYS 24 - HE3 LYS 26 far 0 91 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 100 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 75 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 89 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 84 0 - 9.1-20.4 QB ALA 15 - HE2 LYS 31 far 0 87 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 92 0 - 9.3-15.5 QB ALA 12 - HE2 LYS 36 far 0 96 0 - 9.4-36.4 HG2 LYS 36 - HE2 LYS 31 far 0 90 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 92 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 88 0 - 9.7-15.4 QB ALA 12 - HE3 LYS 36 far 0 99 0 - 9.7-37.6 HG3 LYS 26 - HE3 LYS 19 far 0 89 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 88 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 67 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 91 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 86 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 79 0 - 9.9-12.6 HG2 LYS 24 - HE3 LYS 31 far 0 91 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 330 from cnoeabs.peaks (1.44, 2.96, 41.80 ppm; 3.92 A): 11 out of 56 assignments used, quality = 1.00: * HG3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.2-3.7 3.8=100 HG2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-4.0 3.7=100 HG2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HG3 LYS 24 + HE3 LYS 24 OK 98 100 100 98 2.3-3.9 4.0=96, 484/6.4=22...(17) HG3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.1-3.9 3.8=100 HG2 LYS 26 + HE3 LYS 26 OK 96 96 100 100 2.2-3.8 3.6=100 HG2 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.7-4.1 3.6=100 HG3 LYS 24 + HE2 LYS 24 OK 92 94 100 99 2.3-4.0 4.0=96, 484/6.4=22...(17) HG3 LYS 36 + HE3 LYS 36 OK 74 75 100 98 2.0-3.5 4.0=94, 3.0/1064=25...(17) HG2 LYS 86 + HE3 LYS 86 OK 73 73 100 100 2.5-3.7 3.7=100 HG3 LYS 36 + HE2 LYS 36 OK 69 70 100 98 2.0-3.5 4.0=94, 3.0/1064=25...(17) HG13 ILE 32 - HE2 LYS 26 poor 20 99 20 - 3.5-6.7 QB ALA 34 - HE3 LYS 26 far 7 70 10 - 4.0-7.8 QB ALA 34 - HE2 LYS 26 poor 5 70 35 22 3.1-7.1 908/10766=18, 6364/876=3 HG3 LYS 19 - HE3 LYS 31 far 5 100 5 - 4.4-25.7 HG13 ILE 32 - HE3 LYS 26 far 0 99 0 - 4.5-7.4 HG3 LYS 19 - HE2 LYS 31 far 0 100 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 99 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 100 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.5-13.4 HG2 LYS 26 - HE2 LYS 31 far 0 97 0 - 6.6-15.6 HG13 ILE 32 - HE2 LYS 31 far 0 100 0 - 6.7-10.1 HG2 LYS 86 - HE3 LYS 19 far 0 76 0 - 6.8-38.5 HG13 ILE 32 - HE3 LYS 31 far 0 99 0 - 6.9-10.1 HG2 LYS 26 - HE3 LYS 31 far 0 96 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 100 0 - 7.0-15.8 HG3 LYS 36 - HE2 LYS 26 far 0 75 0 - 7.1-13.4 QB ALA 34 - HE2 LYS 19 far 0 67 0 - 7.3-24.1 HG3 LYS 19 - HE3 LYS 26 far 0 100 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-12.4 QB ALA 34 - HE2 LYS 31 far 0 71 0 - 7.5-11.5 HG3 LYS 19 - HE2 LYS 26 far 0 100 0 - 7.6-21.0 QB ALA 34 - HE3 LYS 36 far 0 70 0 - 7.6-8.5 HG2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-26.4 QB ALA 34 - HE2 LYS 36 far 0 65 0 - 7.9-8.4 HG2 LYS 31 - HE2 LYS 36 far 0 97 0 - 8.0-11.8 QB ALA 34 - HE3 LYS 31 far 0 70 0 - 8.0-12.3 HG2 LYS 86 - HE2 LYS 19 far 0 72 0 - 8.4-38.3 HG2 LYS 31 - HE2 LYS 19 far 0 98 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 94 0 - 8.4-15.9 QB ALA 34 - HE3 LYS 19 far 0 71 0 - 8.5-24.4 HG3 LYS 24 - HE3 LYS 19 far 0 100 0 - 8.6-17.0 QB ALA 34 - HE3 LYS 86 far 0 68 0 - 8.7-11.0 HG3 LYS 36 - HE3 LYS 26 far 0 75 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 76 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 94 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 99 0 - 9.0-11.0 HG3 LYS 24 - HE2 LYS 19 far 0 98 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 96 0 - 9.4-11.1 QB ALA 92 - HE3 LYS 86 far 0 91 0 - 9.6-11.3 HG3 LYS 24 - HE2 LYS 26 far 0 100 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 75 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 99 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 96 0 - 9.8-14.5 QB ALA 34 - HE3 LYS 24 far 0 70 0 - 9.9-15.9 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 83 assignments used, quality = 1.00: * HD2 LYS 19 + HE3 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 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.3-3.0 2.9=100 HD3 LYS 26 + HE2 LYS 26 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 97 97 100 100 2.3-3.0 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 96 96 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 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 2.3-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 96 96 100 100 2.3-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 95 95 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 95 95 100 100 2.8-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 95 95 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 80 80 100 100 2.5-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 75 75 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 75 75 100 100 2.4-3.0 3.0=100 HG3 ARG 23 - HE3 LYS 26 far 4 75 5 - 3.3-12.6 HG3 ARG 23 - HE2 LYS 26 far 4 75 5 - 3.7-14.0 HG3 ARG 23 - HE3 LYS 24 far 0 75 0 - 4.3-9.9 HG3 ARG 23 - HE2 LYS 24 far 0 66 0 - 4.9-10.6 HD3 LYS 86 - HE3 LYS 19 far 0 97 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 97 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 96 0 - 5.6-26.9 HG3 ARG 23 - HE2 LYS 31 far 0 76 0 - 5.6-22.2 HD3 LYS 31 - HE3 LYS 19 far 0 97 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 92 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 94 0 - 6.2-37.3 HG3 ARG 23 - HE3 LYS 31 far 0 75 0 - 6.2-22.3 HD3 LYS 31 - HE2 LYS 19 far 0 93 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 96 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 95 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 80 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 94 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 81 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 93 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 90 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 80 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 95 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 93 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 92 0 - 7.5-13.2 HG3 ARG 23 - HE3 LYS 86 far 0 73 0 - 7.5-26.1 HD2 LYS 26 - HE2 LYS 31 far 0 97 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 80 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 96 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 81 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 95 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 80 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 99 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 96 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 93 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 80 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 99 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.7-16.7 HG3 ARG 23 - HE3 LYS 19 far 0 76 0 - 8.8-14.2 HD2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 80 0 - 9.0-13.8 HG3 ARG 23 - HE3 LYS 36 far 0 75 0 - 9.1-23.6 HD3 LYS 24 - HE3 LYS 26 far 0 96 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 96 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 95 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 97 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 94 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 92 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 97 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 94 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 100 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 100 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 94 0 - 9.9-17.4 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 83 assignments used, quality = 1.00: HD2 LYS 19 + HE3 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 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.3-3.0 2.9=100 HD3 LYS 26 + HE2 LYS 26 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 97 97 100 100 2.3-3.0 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 96 96 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 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 2.3-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 96 96 100 100 2.3-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 95 95 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 95 95 100 100 2.8-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 95 95 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 80 80 100 100 2.5-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 75 75 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 75 75 100 100 2.4-3.0 3.0=100 HG3 ARG 23 - HE3 LYS 26 far 4 75 5 - 3.3-12.6 HG3 ARG 23 - HE2 LYS 26 far 4 75 5 - 3.7-14.0 HG3 ARG 23 - HE3 LYS 24 far 0 75 0 - 4.3-9.9 HG3 ARG 23 - HE2 LYS 24 far 0 66 0 - 4.9-10.6 HD3 LYS 86 - HE3 LYS 19 far 0 97 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 97 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 96 0 - 5.6-26.9 HG3 ARG 23 - HE2 LYS 31 far 0 76 0 - 5.6-22.2 HD3 LYS 31 - HE3 LYS 19 far 0 97 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 92 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 94 0 - 6.2-37.3 HG3 ARG 23 - HE3 LYS 31 far 0 75 0 - 6.2-22.3 HD3 LYS 31 - HE2 LYS 19 far 0 93 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 96 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 95 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 80 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 94 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 81 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 93 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 90 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 80 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 95 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 93 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 92 0 - 7.5-13.2 HG3 ARG 23 - HE3 LYS 86 far 0 73 0 - 7.5-26.1 HD2 LYS 26 - HE2 LYS 31 far 0 97 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 80 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 96 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 81 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 95 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 80 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 99 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 96 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 93 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 80 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 99 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.7-16.7 HG3 ARG 23 - HE3 LYS 19 far 0 76 0 - 8.8-14.2 HD2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 80 0 - 9.0-13.8 HG3 ARG 23 - HE3 LYS 36 far 0 75 0 - 9.1-23.6 HD3 LYS 24 - HE3 LYS 26 far 0 96 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 96 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 95 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 97 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 94 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 92 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 97 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 94 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 100 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 100 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 94 0 - 9.9-17.4 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 10 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 71 72 100 98 2.8-3.6 4.5=68, 3.4/7769=60...(8) H LEU 48 - HB3 SER 51 far 0 58 0 - 4.7-6.3 H CYS 125 - HA SER 50 far 0 74 0 - 6.8-7.8 H LEU 48 - HA SER 50 far 0 78 0 - 7.1-7.3 H ASN 120 - HB2 SER 124 far 0 83 0 - 7.5-8.5 H CYS 79 - HA VAL 20 far 0 83 0 - 8.4-27.6 H SER 130 - HA SER 50 far 0 55 0 - 8.8-9.5 H ASN 120 - HA SER 50 far 0 85 0 - 8.9-9.7 H SER 130 - HB2 SER 124 far 0 53 0 - 9.5-10.4 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 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 85 92 95 97 2.4-4.7 3.1/9218=55, 1653=55...(11) HB2 GLU 91 - HB3 SER 94 far 0 39 0 - 6.1-8.1 HB2 GLU 55 - HB3 SER 51 far 0 68 0 - 6.1-9.0 HB3 LEU 53 - HB3 SER 51 far 0 71 0 - 6.7-8.3 HG2 ARG 90 - HB3 SER 94 far 0 27 0 - 7.5-8.7 HB3 GLU 30 - HA VAL 20 far 0 87 0 - 7.5-21.4 HB3 MET 11 - HB3 SER 94 far 0 27 0 - 7.8-38.8 HB3 MET 11 - HA VAL 20 far 0 81 0 - 8.1-24.9 HB2 GLU 44 - HB3 SER 51 far 0 51 0 - 9.0-10.8 HB3 LEU 53 - HB2 SER 124 far 0 90 0 - 9.0-9.8 HG2 ARG 90 - HA VAL 20 far 0 81 0 - 9.3-32.4 HB ILE 129 - HB2 SER 124 far 0 93 0 - 9.3-10.9 HB3 PRO 117 - HB2 SER 124 far 0 91 0 - 9.3-10.2 HB3 MET 11 - HB2 SER 124 far 0 70 0 - 9.6-49.6 HB ILE 129 - HA SER 50 far 0 95 0 - 9.7-10.4 HG2 PRO 56 - HB3 SER 51 far 0 72 0 - 9.9-12.5 HB2 GLU 55 - HA SER 50 far 0 89 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 339 from cnoeabs.peaks (0.91, 3.99, 62.40 ppm; 3.38 A): 4 out of 22 assignments used, quality = 1.00: * QG1 VAL 20 + HA VAL 20 OK 100 100 100 100 2.6-3.2 3.2=100 QG2 VAL 20 + HA VAL 20 OK 90 90 100 100 2.1-2.5 3.2=100 QD1 LEU 123 + HA SER 50 OK 73 74 100 99 1.8-2.2 11874=74, 2.1/11636=58...(21) QD2 LEU 123 + HA SER 50 OK 66 67 100 98 2.8-3.5 2.1/11874=71, 11636=53...(20) QD2 LEU 48 - HB3 SER 51 far 0 74 0 - 4.2-5.1 QD1 LEU 123 - HB2 SER 124 far 0 72 0 - 5.1-5.6 QD1 LEU 49 - HA SER 50 far 0 94 0 - 5.3-5.9 QD1 LEU 22 - HA VAL 20 far 0 95 0 - 5.4-7.1 QD2 LEU 123 - HB2 SER 124 far 0 65 0 - 5.7-6.5 QD1 LEU 62 - HA SER 50 far 0 93 0 - 6.1-6.8 QD1 LEU 123 - HB3 SER 51 far 0 54 0 - 6.2-7.6 QD1 LEU 48 - HB3 SER 51 far 0 61 0 - 6.4-6.8 QD1 LEU 49 - HB3 SER 51 far 0 73 0 - 6.5-8.1 QD2 LEU 123 - HB3 SER 51 far 0 49 0 - 6.8-7.7 QD2 LEU 48 - HA SER 50 far 0 95 0 - 7.7-7.9 QG1 VAL 118 - HB2 SER 124 far 0 90 0 - 8.2-9.0 QD1 LEU 62 - HB3 SER 51 far 0 72 0 - 8.3-9.1 QD1 LEU 48 - HA SER 50 far 0 82 0 - 8.5-8.7 QD1 LEU 62 - HB2 SER 124 far 0 91 0 - 9.0-10.6 QG1 VAL 118 - HA SER 50 far 0 92 0 - 9.4-10.4 QD1 LEU 49 - HB2 SER 124 far 0 92 0 - 9.5-10.3 QG2 VAL 20 - HB3 SER 94 far 0 32 0 - 9.6-30.1 Violated in 0 structures by 0.00 A. Peak 340 from cnoeabs.peaks (0.89, 3.99, 62.40 ppm; 3.51 A): 3 out of 24 assignments used, quality = 1.00: * QG2 VAL 20 + HA VAL 20 OK 100 100 100 100 2.1-2.5 3.2=100 QD2 LEU 123 + HA SER 50 OK 92 92 100 100 2.8-3.5 11636=89, 2.1/11874=76...(21) QG1 VAL 20 + HA VAL 20 OK 90 90 100 100 2.6-3.2 3.2=100 QD2 LEU 98 - HB3 SER 94 poor 12 33 35 - 3.5-4.8 QD2 LEU 48 - HB3 SER 51 far 0 59 0 - 4.2-5.1 QD1 LEU 49 - HA SER 50 far 0 72 0 - 5.3-5.9 QD1 LEU 22 - HA VAL 20 far 0 100 0 - 5.4-7.1 QD2 LEU 123 - HB2 SER 124 far 0 91 0 - 5.7-6.5 QD1 LEU 62 - HA SER 50 far 0 70 0 - 6.1-6.8 QG2 VAL 57 - HB3 SER 51 far 0 37 0 - 6.2-7.9 QD1 LEU 49 - HB3 SER 51 far 0 52 0 - 6.5-8.1 QD2 LEU 123 - HB3 SER 51 far 0 71 0 - 6.8-7.7 QD2 LEU 69 - HA SER 50 far 0 70 0 - 6.9-7.5 QG2 VAL 57 - HA SER 50 far 0 52 0 - 7.2-7.6 QD2 LEU 69 - HB3 SER 51 far 0 51 0 - 7.6-8.9 QD2 LEU 48 - HA SER 50 far 0 80 0 - 7.7-7.9 QG1 VAL 118 - HB2 SER 124 far 0 90 0 - 8.2-9.0 QD1 LEU 62 - HB3 SER 51 far 0 51 0 - 8.3-9.1 QD2 LEU 98 - HB2 SER 124 far 0 81 0 - 9.0-11.1 QD1 LEU 62 - HB2 SER 124 far 0 68 0 - 9.0-10.6 QG1 VAL 118 - HA SER 50 far 0 92 0 - 9.4-10.4 QD1 LEU 49 - HB2 SER 124 far 0 70 0 - 9.5-10.3 QG2 VAL 20 - HB3 SER 94 far 0 41 0 - 9.6-30.1 QD1 LEU 98 - HB2 SER 124 far 0 51 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 341 from cnoeabs.peaks (8.31, 3.99, 62.40 ppm; 3.67 A increased from 2.94 A): 1 out of 10 assignments used, quality = 1.00: * H ALA 21 + HA VAL 20 OK 100 100 100 100 3.1-3.6 3.6=100 H VAL 126 - HB2 SER 124 far 0 78 0 - 5.4-6.0 H LEU 49 - HB3 SER 51 far 0 73 0 - 5.5-6.6 H LEU 49 - HA SER 50 far 0 94 0 - 5.6-5.6 H GLY 17 - HA VAL 20 far 0 96 0 - 6.1-9.9 H VAL 126 - HA SER 50 far 0 80 0 - 6.2-7.0 H SER 99 - HB3 SER 94 far 0 32 0 - 7.2-8.3 H GLY 17 - HB3 SER 94 far 0 36 0 - 7.9-41.5 H SER 99 - HB2 SER 124 far 0 80 0 - 9.3-10.8 H ALA 28 - HA VAL 20 far 0 85 0 - 9.3-17.9 Violated in 0 structures by 0.00 A. Peak 342 from cnoeabs.peaks (8.06, 2.00, 32.56 ppm; 3.17 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 20 + HB VAL 20 OK 100 100 100 100 2.6-3.2 6170=100, 6171/2.1=66...(7) H CYS 79 - HB VAL 20 far 0 83 0 - 8.1-28.6 Violated in 2 structures by 0.00 A. Peak 343 from cnoeabs.peaks (3.99, 2.00, 32.56 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 20 + HB VAL 20 OK 100 100 100 100 2.4-3.0 3.0=100 HA3 GLY 17 - HB VAL 20 far 3 60 5 - 3.7-8.0 HA2 GLY 17 - HB VAL 20 far 3 60 5 - 4.0-8.2 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 3 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 QD1 LEU 22 - HB VAL 20 far 0 95 0 - 7.2-8.7 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 4 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 - 7.2-8.7 QD2 LEU 98 - HB VAL 20 far 0 92 0 - 9.7-33.1 Violated in 0 structures by 0.00 A. Peak 347 from cnoeabs.peaks (8.31, 2.00, 32.56 ppm; 4.15 A increased from 3.69 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 21 + HB VAL 20 OK 100 100 100 100 3.7-4.2 6177=100, 6176/3.0=86...(11) H GLY 17 - HB VAL 20 far 0 96 0 - 5.1-9.2 Violated in 1 structures by 0.00 A. Peak 348 from cnoeabs.peaks (8.06, 0.91, 20.62 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 20 + QG1 VAL 20 OK 100 100 100 100 1.8-2.1 6171=100, 6170/2.1=71...(13) H CYS 79 - QG1 VAL 20 far 0 83 0 - 7.7-25.1 H TYR 76 - QG1 VAL 20 far 0 83 0 - 9.2-25.6 Violated in 0 structures by 0.00 A. Peak 349 from cnoeabs.peaks (3.99, 0.91, 20.62 ppm; 3.20 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 20 + QG1 VAL 20 OK 100 100 100 100 2.6-3.2 3.2=100 HA3 GLY 17 - QG1 VAL 20 poor 18 60 30 - 2.8-5.1 HA2 GLY 17 - QG1 VAL 20 poor 13 60 60 37 3.1-5.5 10699/10698=14...(4) HA GLU 91 - QG1 VAL 20 far 0 97 0 - 9.1-33.4 HA GLN 68 - QG1 VAL 20 far 0 100 0 - 9.3-28.0 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 6 assignments used, quality = 1.00: * HB VAL 20 + QG1 VAL 20 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 MET 11 - QG1 VAL 20 far 0 81 0 - 6.6-20.7 HG2 ARG 90 - QG1 VAL 20 far 0 81 0 - 6.9-29.1 HB3 GLU 30 - QG1 VAL 20 far 0 87 0 - 7.7-20.1 HB2 GLU 91 - QG1 VAL 20 far 0 99 0 - 9.1-34.0 HG2 PRO 81 - QG1 VAL 20 far 0 100 0 - 9.6-30.4 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; 3.93 A increased from 3.70 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 21 + QG1 VAL 20 OK 100 100 100 100 1.9-4.0 6176/3.2=78, 4.3=74...(13) H GLY 17 - QG1 VAL 20 far 10 96 10 - 2.7-6.4 H ALA 28 - QG1 VAL 20 far 0 85 0 - 8.3-17.3 Violated in 3 structures by 0.00 A. Peak 354 from cnoeabs.peaks (8.06, 0.89, 21.05 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 20 + QG2 VAL 20 OK 100 100 100 100 3.7-3.8 4.0=93, 6170/2.1=90...(8) H CYS 79 - QG2 VAL 20 far 0 83 0 - 6.6-22.6 H TYR 76 - QG2 VAL 20 far 0 83 0 - 7.9-23.0 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 5 assignments used, quality = 1.00: * HA VAL 20 + QG2 VAL 20 OK 100 100 100 100 2.1-2.5 3.2=100 HA3 GLY 17 - QG2 VAL 20 far 0 60 0 - 5.0-7.8 HA2 GLY 17 - QG2 VAL 20 far 0 60 0 - 5.3-8.2 HA GLN 68 - QG2 VAL 20 far 0 100 0 - 7.9-26.5 HB3 SER 94 - QG2 VAL 20 far 0 87 0 - 9.6-30.1 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 4 assignments used, quality = 1.00: * HB VAL 20 + QG2 VAL 20 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 GLU 30 - QG2 VAL 20 far 0 87 0 - 7.6-20.1 HG2 ARG 90 - QG2 VAL 20 far 0 81 0 - 7.9-26.7 HB3 MET 11 - QG2 VAL 20 far 0 81 0 - 8.0-21.7 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): 1 out of 4 assignments used, quality = 1.00: * H ALA 21 + QG2 VAL 20 OK 100 100 100 100 3.1-4.4 4.3=100 H GLY 17 - QG2 VAL 20 far 10 96 10 - 5.4-8.5 H ALA 28 - QG2 VAL 20 far 0 85 0 - 7.5-16.8 H TYR 72 - QG2 VAL 20 far 0 93 0 - 9.0-24.6 Violated in 0 structures by 0.00 A. Peak 360 from cnoeabs.peaks (8.31, 4.29, 52.41 ppm; 2.83 A): 5 out of 16 assignments used, quality = 1.00: * H ALA 21 + HA ALA 21 OK 97 100 100 97 2.8-2.9 3.0=88, 6181/2.1=59...(5) H ALA 110 + HA ALA 110 OK 65 71 100 92 2.3-2.9 3.0=88, 4.5/7577=15...(4) H GLY 17 + HA ALA 16 OK 45 65 95 72 2.1-3.6 6130=57, 6127/3.0=28...(4) H GLY 111 + HA ALA 110 OK 44 72 80 75 2.5-3.5 7577=62, 7578/2.1=20...(9) H ALA 110 + HA ALA 109 OK 32 80 60 66 2.1-3.6 3.6=50, 7571/2.1=23...(6) H ALA 110 - HA ALA 108 far 2 49 5 - 3.4-5.6 H GLY 111 - HA ALA 109 far 0 82 0 - 3.5-5.6 H GLY 17 - HA ALA 15 far 0 91 0 - 4.1-6.2 H ALA 21 - HA ALA 16 far 0 73 0 - 4.4-9.8 H GLY 17 - HA ALA 21 far 0 96 0 - 5.7-9.4 H GLY 111 - HA ALA 108 far 0 50 0 - 5.8-7.2 H TYR 72 - HA ALA 15 far 0 88 0 - 7.1-38.7 H ALA 28 - HA ALA 21 far 0 85 0 - 7.3-19.2 H ALA 21 - HA ALA 15 far 0 97 0 - 8.1-12.1 H GLY 17 - HA ALA 12 far 0 93 0 - 8.4-16.0 H ALA 21 - HA ALA 12 far 0 99 0 - 8.9-21.8 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 12 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 HG2 LYS 19 - HA ALA 16 far 0 48 0 - 3.4-8.5 QB ALA 12 - HA ALA 15 far 0 81 0 - 4.3-10.0 QB ALA 21 - HA ALA 16 far 0 73 0 - 4.4-7.9 HG2 LYS 19 - HA ALA 15 far 0 70 0 - 5.5-11.6 QB ALA 12 - HA ALA 16 far 0 57 0 - 5.7-12.5 HG2 LYS 19 - HA ALA 21 far 0 76 0 - 6.3-6.9 HG2 LYS 19 - HA ALA 12 far 0 73 0 - 7.0-21.6 QB ALA 21 - HA ALA 15 far 0 97 0 - 7.2-10.4 QB ALA 21 - HA ALA 12 far 0 99 0 - 9.6-18.6 QB ALA 12 - HA ALA 21 far 0 87 0 - 10.0-19.8 Violated in 0 structures by 0.00 A. Peak 363 from cnoeabs.peaks (8.15, 4.29, 52.41 ppm; 3.04 A increased from 2.86 A): 2 out of 10 assignments used, quality = 1.00: H ALA 15 + HA ALA 15 OK 96 96 100 100 2.8-2.9 3.0=100 * H LEU 22 + HA ALA 21 OK 91 100 100 91 3.0-3.6 3.6=62, 367/2.1=58...(5) H ALA 15 - HA ALA 12 far 0 98 0 - 4.5-9.5 H ALA 15 - HA ALA 16 far 0 71 0 - 4.6-6.3 H GLU 91 - HA ALA 12 far 0 73 0 - 5.5-37.9 H ASP 71 - HA ALA 15 far 0 92 0 - 5.9-38.2 H LEU 22 - HA ALA 16 far 0 73 0 - 6.9-12.2 H ALA 15 - HA ALA 21 far 0 99 0 - 8.6-16.1 H GLU 91 - HA ALA 15 far 0 70 0 - 8.9-44.3 H ASP 71 - HA ALA 16 far 0 67 0 - 9.4-38.8 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 6 assignments used, quality = 1.00: * H ALA 21 + QB ALA 21 OK 100 100 100 100 2.1-2.4 2.9=100 H GLY 17 - QB ALA 21 far 0 96 0 - 4.1-6.7 H GLY 17 - QB ALA 12 far 0 53 0 - 5.4-13.6 H ALA 28 - QB ALA 21 far 0 85 0 - 6.0-17.1 H TYR 72 - QB ALA 12 far 0 51 0 - 9.2-31.2 H ALA 21 - QB ALA 12 far 0 60 0 - 9.5-19.2 Violated in 0 structures by 0.00 A. Peak 365 from cnoeabs.peaks (4.29, 1.34, 18.98 ppm; 2.50 A): 3 out of 25 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 THR 18 + QB ALA 21 OK 38 100 100 39 1.9-2.6 10686=22, 6180/6181=10...(4) HA LEU 22 - QB ALA 21 far 0 78 0 - 3.7-4.3 HA LYS 19 - QB ALA 21 far 0 76 0 - 4.3-5.3 HA ALA 15 - QB ALA 12 far 0 59 0 - 4.3-10.0 HA ALA 16 - QB ALA 21 far 0 93 0 - 4.4-7.9 HA PHE 87 - QB ALA 12 far 0 35 0 - 4.9-33.4 HA THR 25 - QB ALA 21 far 0 100 0 - 5.0-11.1 HA ALA 16 - QB ALA 12 far 0 51 0 - 5.7-12.5 HA LYS 31 - QB ALA 12 far 0 52 0 - 6.2-33.7 HA ARG 23 - QB ALA 21 far 0 100 0 - 6.2-6.8 HA THR 18 - QB ALA 12 far 0 60 0 - 7.0-17.2 HA PHE 87 - QB ALA 21 far 0 71 0 - 7.1-28.7 HA ALA 15 - QB ALA 21 far 0 100 0 - 7.2-10.4 HA LYS 26 - QB ALA 21 far 0 81 0 - 7.4-12.0 HA2 GLY 75 - QB ALA 12 far 0 31 0 - 7.9-29.0 HA SER 74 - QB ALA 21 far 0 100 0 - 7.9-24.5 HA SER 74 - QB ALA 12 far 0 60 0 - 8.1-27.1 HA LYS 31 - QB ALA 21 far 0 95 0 - 8.4-21.0 HA2 GLY 75 - QB ALA 21 far 0 63 0 - 8.5-21.9 HA TYR 76 - QB ALA 21 far 0 78 0 - 8.9-24.4 HA LYS 19 - QB ALA 12 far 0 38 0 - 9.1-20.2 HA ALA 12 - QB ALA 21 far 0 100 0 - 9.6-18.6 HA ALA 21 - QB ALA 12 far 0 60 0 - 10.0-19.8 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 7 assignments used, quality = 0.99: * H LEU 22 + QB ALA 21 OK 99 100 100 99 2.1-3.5 6186=96, 6184/6181=49...(6) H ALA 15 - QB ALA 12 far 6 58 10 - 2.8-8.7 H GLU 91 - QB ALA 12 far 0 38 0 - 4.3-31.1 H ALA 15 - QB ALA 21 far 0 99 0 - 6.9-12.1 H ILE 32 - QB ALA 12 far 0 57 0 - 7.7-33.5 H ASP 71 - QB ALA 12 far 0 54 0 - 8.0-29.9 H GLU 91 - QB ALA 21 far 0 76 0 - 9.5-30.1 Violated in 2 structures by 0.02 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 2.8-2.9 2.9=100 H ILE 32 - HA LEU 22 far 0 99 0 - 9.6-20.9 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 2.5-2.9 2.9=100 HG LEU 22 + HA LEU 22 OK 100 100 100 100 2.2-3.7 2.1/401=78, 2.1/374=61...(21) HG3 ARG 23 - HA LEU 22 far 0 98 0 - 4.7-7.4 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 2.5-2.9 2.9=100 * HG LEU 22 + HA LEU 22 OK 100 100 100 100 2.2-3.7 2.1/401=78, 2.1/374=61...(21) HG3 ARG 23 - HA LEU 22 far 0 98 0 - 4.7-7.4 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 4 assignments used, quality = 1.00: * QD2 LEU 22 + HA LEU 22 OK 100 100 100 100 1.8-3.1 401=100, 2.1/374=48...(20) QG2 ILE 80 - HA LEU 22 far 0 63 0 - 8.1-24.3 QG2 ILE 32 - HA LEU 22 far 0 95 0 - 8.4-15.9 QD1 LEU 70 - HA LEU 22 far 0 76 0 - 9.4-24.6 Violated in 0 structures by 0.00 A. Peak 374 from cnoeabs.peaks (0.89, 4.27, 55.17 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 22 + HA LEU 22 OK 100 100 100 100 1.9-3.5 2.1/401=85, 4.0=81...(24) QG2 VAL 20 - HA LEU 22 far 0 100 0 - 5.6-7.1 QG1 VAL 20 - HA LEU 22 far 0 95 0 - 6.3-7.9 Violated in 0 structures by 0.00 A. Peak 375 from cnoeabs.peaks (8.24, 4.27, 55.17 ppm; 2.55 A): 1 out of 4 assignments used, quality = 0.47: * H ARG 23 + HA LEU 22 OK 47 100 70 67 2.8-3.6 3.6=37, 6197/2.9=20...(7) H ALA 29 - HA LEU 22 far 0 100 0 - 5.8-20.3 H GLU 30 - HA LEU 22 far 0 89 0 - 7.1-20.4 H LYS 31 - HA LEU 22 far 0 96 0 - 9.1-20.8 Violated in 20 structures by 0.49 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 2.2-3.2 6188=100, 6190/1.8=90...(22) H ASP 71 - HB3 LEU 42 far 0 93 0 - 7.9-9.0 H ILE 32 - HB2 LEU 22 far 0 99 0 - 8.2-19.6 H VAL 133 - HB3 LEU 42 far 0 98 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 377 from cnoeabs.peaks (4.27, 1.54, 42.22 ppm; 3.56 A): 1 out of 12 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 far 4 87 5 - 3.8-5.5 HA LYS 19 - HB2 LEU 22 lone 1 100 35 2 3.3-7.4 HA THR 18 - HB2 LEU 22 far 0 73 0 - 4.5-9.2 HA ALA 21 - HB2 LEU 22 far 0 78 0 - 5.4-6.3 HA LYS 26 - HB2 LEU 22 far 0 100 0 - 6.8-11.4 HA LYS 31 - HB2 LEU 22 far 0 98 0 - 7.2-21.7 HA GLN 27 - HB2 LEU 22 far 0 73 0 - 7.4-14.4 HA THR 25 - HB2 LEU 22 far 0 76 0 - 7.6-10.9 HA SER 74 - HB3 LEU 42 far 0 72 0 - 8.9-9.6 HA ALA 16 - HB2 LEU 22 far 0 99 0 - 9.4-14.5 HA LYS 36 - HB3 LEU 42 far 0 97 0 - 9.6-10.4 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 4 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 92 100 100 92 2.4-2.9 3.0=59, 371/2.9=13...(15) HG3 ARG 23 - HB2 LEU 22 far 0 98 0 - 4.7-7.9 HG LEU 43 - HB3 LEU 42 far 0 65 0 - 5.3-5.8 Violated in 0 structures by 0.00 A. Peak 380 from cnoeabs.peaks (1.62, 1.54, 42.22 ppm; 4.35 A): 2 out of 4 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 2.4-2.9 3.0=100 HG3 ARG 23 - HB2 LEU 22 far 5 98 5 - 4.7-7.9 HG LEU 43 - HB3 LEU 42 far 0 65 0 - 5.3-5.8 Violated in 0 structures by 0.00 A. Peak 381 from cnoeabs.peaks (0.84, 1.54, 42.22 ppm; 4.01 A): 1 out of 9 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 far 5 98 5 - 4.6-5.5 QG2 ILE 129 - HB3 LEU 42 far 0 79 0 - 5.5-6.5 QD2 LEU 69 - HB3 LEU 42 far 0 59 0 - 5.7-6.5 HG13 ILE 80 - HB3 LEU 42 far 0 83 0 - 6.9-8.2 QD2 LEU 70 - HB3 LEU 42 far 0 88 0 - 8.5-9.1 QG2 ILE 80 - HB3 LEU 42 far 0 59 0 - 8.8-9.7 QG2 ILE 32 - HB2 LEU 22 far 0 95 0 - 8.9-15.7 QD1 LEU 70 - HB3 LEU 42 far 0 72 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 382 from cnoeabs.peaks (0.89, 1.54, 42.22 ppm; 3.61 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 22 + HB2 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 QG2 VAL 20 - HB2 LEU 22 far 0 100 0 - 5.2-7.7 QD2 LEU 69 - HB3 LEU 42 far 0 67 0 - 5.7-6.5 QG1 VAL 20 - HB2 LEU 22 far 0 95 0 - 6.1-7.5 QD1 LEU 49 - HB3 LEU 42 far 0 83 0 - 8.0-8.7 QD1 LEU 48 - HB3 LEU 42 far 0 57 0 - 8.7-9.5 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 6 assignments used, quality = 1.00: * H ARG 23 + HB2 LEU 22 OK 100 100 100 100 2.1-4.2 6197=100, 375/2.9=91...(16) H LYS 31 - HB2 LEU 22 far 0 96 0 - 6.6-19.5 H ALA 29 - HB2 LEU 22 far 0 100 0 - 7.4-20.0 H GLU 30 - HB2 LEU 22 far 0 89 0 - 8.6-20.1 H SER 33 - HB2 LEU 22 far 0 95 0 - 9.9-20.0 H ASP 131 - HB3 LEU 42 far 0 67 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 384 from cnoeabs.peaks (8.15, 1.62, 42.22 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.0-3.0 6190=100, 6188/1.8=80...(18) H ASN 121 - HB2 LEU 122 far 0 40 0 - 6.2-6.5 H ILE 32 - HB3 LEU 22 far 0 99 0 - 9.4-20.9 Violated in 0 structures by 0.00 A. Peak 385 from cnoeabs.peaks (4.27, 1.62, 42.22 ppm; 3.44 A): 1 out of 11 assignments used, quality = 1.00: * HA LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.5-2.9 2.9=100 HA LYS 19 - HB3 LEU 22 poor 20 100 20 - 3.4-6.7 HA THR 18 - HB3 LEU 22 far 11 73 15 - 3.7-8.4 HA ARG 23 - HB3 LEU 22 far 0 87 0 - 4.2-6.1 HA ALA 21 - HB3 LEU 22 far 0 78 0 - 5.0-6.1 HA GLN 27 - HB3 LEU 22 far 0 73 0 - 7.3-15.9 HA SER 124 - HB2 LEU 122 far 0 40 0 - 7.7-8.1 HA LYS 31 - HB3 LEU 22 far 0 98 0 - 7.8-22.9 HA LYS 26 - HB3 LEU 22 far 0 100 0 - 7.9-12.1 HA ALA 16 - HB3 LEU 22 far 0 99 0 - 8.7-14.0 HA THR 25 - HB3 LEU 22 far 0 76 0 - 9.0-11.4 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 49 - HB2 LEU 122 far 0 38 0 - 4.7-6.7 HB2 LEU 53 - HB2 LEU 122 far 0 48 0 - 6.2-9.3 HG LEU 123 - HB2 LEU 122 far 0 48 0 - 6.9-7.9 HB2 LEU 119 - HB2 LEU 122 far 0 73 0 - 7.0-7.8 HG LEU 103 - HB2 LEU 122 far 0 65 0 - 7.7-9.2 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): 1 out of 9 assignments used, quality = 1.00: * QD2 LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.2-3.2 3.1=100 QD2 LEU 70 - HB2 LEU 122 far 0 61 0 - 5.2-6.4 QD2 LEU 69 - HB2 LEU 122 far 0 38 0 - 5.9-6.8 QD1 LEU 70 - HB2 LEU 122 far 0 48 0 - 7.3-8.7 QG2 ILE 129 - HB2 LEU 122 far 0 53 0 - 8.0-8.8 QG2 VAL 57 - HB2 LEU 122 far 0 52 0 - 8.2-10.1 QD1 LEU 98 - HB2 LEU 122 far 0 52 0 - 8.9-10.7 QG2 ILE 80 - HB3 LEU 22 far 0 63 0 - 9.4-24.3 QG2 ILE 32 - HB3 LEU 22 far 0 95 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 390 from cnoeabs.peaks (0.89, 1.62, 42.22 ppm; 3.62 A): 1 out of 12 assignments used, quality = 1.00: * QD1 LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 49 - HB2 LEU 122 far 0 57 0 - 4.3-5.7 QD1 LEU 62 - HB2 LEU 122 far 0 55 0 - 4.8-6.8 QG1 VAL 118 - HB2 LEU 122 far 0 71 0 - 5.0-5.6 QG2 VAL 20 - HB3 LEU 22 far 0 100 0 - 5.3-7.5 QG1 VAL 20 - HB3 LEU 22 far 0 95 0 - 5.7-7.3 QD2 LEU 69 - HB2 LEU 122 far 0 44 0 - 5.9-6.8 QD2 LEU 123 - HB2 LEU 122 far 0 68 0 - 6.4-7.1 QG2 VAL 63 - HB2 LEU 122 far 0 60 0 - 6.7-7.6 QD2 LEU 98 - HB2 LEU 122 far 0 57 0 - 7.7-10.6 QD1 LEU 48 - HB2 LEU 122 far 0 37 0 - 9.0-10.2 QD2 LEU 48 - HB2 LEU 122 far 0 63 0 - 9.5-11.0 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 6 assignments used, quality = 1.00: * H ARG 23 + HB3 LEU 22 OK 100 100 100 100 3.0-4.5 4.6=97, 375/2.9=96...(14) H LEU 123 + HB2 LEU 122 OK 63 63 100 100 3.2-3.9 4.3=100 H LEU 96 - HB2 LEU 122 far 0 37 0 - 5.7-7.5 H LYS 31 - HB3 LEU 22 far 0 96 0 - 7.6-20.6 H ALA 29 - HB3 LEU 22 far 0 100 0 - 7.9-21.5 H GLU 30 - HB3 LEU 22 far 0 89 0 - 9.5-21.5 Violated in 0 structures by 0.00 A. Peak 392 from cnoeabs.peaks (8.15, 1.62, 26.78 ppm; 5.07 A increased from 4.27 A): 3 out of 11 assignments used, quality = 1.00: * H LEU 22 + HG LEU 22 OK 100 100 100 100 3.9-5.1 6190/3.0=97, 5.1=96...(14) H ASP 71 + HG LEU 70 OK 81 81 100 100 4.7-5.0 6965/2.1=78, 2267/2.1=75...(17) H ASN 121 + HG LEU 122 OK 29 40 80 90 4.3-6.8 3.8/10290=49, ~10323=33...(12) H LEU 22 - HG3 ARG 23 poor 15 83 45 40 3.1-7.4 4.6/6198=28, 2.9/453=8...(6) H ALA 15 - HG LEU 70 far 4 85 5 - 5.5-37.3 H ASN 121 - HG LEU 119 far 3 51 5 - 5.6-5.9 H ILE 32 - HG3 ARG 23 far 0 79 0 - 6.8-18.1 H ALA 15 - HG2 ARG 84 far 0 56 0 - 8.1-45.7 H ALA 15 - HG3 ARG 84 far 0 56 0 - 8.2-47.2 H VAL 133 - HG2 ARG 84 far 0 57 0 - 8.7-12.9 H ASP 71 - HG3 ARG 23 far 0 76 0 - 9.8-27.3 Violated in 0 structures by 0.00 A. Peak 393 from cnoeabs.peaks (4.27, 1.62, 26.78 ppm; 4.45 A): 4 out of 38 assignments used, quality = 1.00: * HA LEU 22 + HG LEU 22 OK 100 100 100 100 2.2-3.7 4.3=100 HA ARG 23 + HG3 ARG 23 OK 66 66 100 100 2.7-4.2 3.8=100 HA ARG 84 + HG2 ARG 84 OK 41 41 100 100 2.3-3.6 3.9=100 HA ARG 84 + HG3 ARG 84 OK 41 41 100 100 3.5-4.2 3.9=100 HA LYS 26 - HG3 ARG 23 poor 17 83 20 - 4.2-11.2 HA LYS 19 - HG LEU 22 far 10 100 10 - 4.7-8.7 HA LEU 22 - HG3 ARG 23 far 8 83 10 - 4.7-7.4 HA ALA 21 - HG3 ARG 23 lone 3 58 45 12 3.3-8.8 6202/5.0=4, 10688/398=4...(4) HA ALA 12 - HG3 ARG 84 far 0 45 0 - 5.2-49.4 HA THR 25 - HG3 ARG 23 far 0 56 0 - 5.2-8.9 HA THR 18 - HG LEU 22 far 0 73 0 - 5.7-10.0 HA LYS 19 - HG3 ARG 23 far 0 83 0 - 6.3-11.1 HA ARG 23 - HG LEU 22 far 0 87 0 - 6.3-7.5 HA LYS 26 - HG LEU 22 far 0 100 0 - 6.5-12.8 HA ALA 16 - HG3 ARG 23 far 0 79 0 - 6.5-17.6 HA LYS 31 - HG3 ARG 23 far 0 78 0 - 6.6-20.1 HA GLN 27 - HG LEU 22 far 0 73 0 - 6.7-16.1 HA ALA 21 - HG LEU 22 far 0 78 0 - 6.7-7.7 HA ALA 12 - HG2 ARG 84 far 0 45 0 - 6.9-48.4 HA GLN 27 - HG3 ARG 23 far 0 54 0 - 6.9-15.2 HB THR 115 - HG LEU 119 far 0 85 0 - 7.0-7.5 HA ALA 15 - HG LEU 70 far 0 72 0 - 7.0-40.0 HA THR 18 - HG3 ARG 23 far 0 54 0 - 7.2-11.8 HA ALA 15 - HG2 ARG 84 far 0 45 0 - 7.5-48.5 HA SER 124 - HG LEU 122 far 0 40 0 - 7.5-10.0 HA SER 74 - HG LEU 70 far 0 60 0 - 7.8-9.2 HA ALA 109 - HG LEU 119 far 0 83 0 - 8.1-9.7 HA PHE 87 - HG2 ARG 84 far 0 57 0 - 8.1-9.6 HA THR 25 - HG LEU 22 far 0 76 0 - 8.2-12.0 HA ALA 15 - HG3 ARG 84 far 0 45 0 - 8.2-50.1 HA ALA 16 - HG LEU 70 far 0 84 0 - 8.6-40.8 HA ALA 15 - HG3 ARG 23 far 0 67 0 - 8.7-19.1 HA ALA 108 - HG LEU 119 far 0 83 0 - 9.2-10.8 HA PHE 87 - HG3 ARG 84 far 0 57 0 - 9.3-10.2 HA ALA 110 - HG LEU 119 far 0 73 0 - 9.3-11.1 HA SER 74 - HG3 ARG 23 far 0 56 0 - 9.4-25.0 HA LYS 31 - HG LEU 22 far 0 98 0 - 10.0-24.0 HA GLN 61 - HG LEU 122 far 0 64 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 394 from cnoeabs.peaks (1.54, 1.62, 26.78 ppm; 4.35 A): 2 out of 13 assignments used, quality = 1.00: * HB2 LEU 22 + HG LEU 22 OK 100 100 100 100 2.4-2.9 3.0=100 HB2 LEU 119 + HG LEU 119 OK 87 87 100 100 2.8-2.9 2.9=100 HB2 LEU 22 - HG3 ARG 23 far 4 83 5 - 4.7-7.9 HG LEU 103 - HG LEU 119 far 4 79 5 - 4.9-6.0 HB2 LEU 119 - HG LEU 122 far 4 73 5 - 4.8-8.0 HG LEU 49 - HG LEU 122 far 0 38 0 - 5.5-7.5 HG LEU 103 - HG LEU 122 far 0 65 0 - 5.7-7.6 HG LEU 123 - HG LEU 122 far 0 48 0 - 6.2-9.5 HB2 LEU 53 - HG LEU 122 far 0 48 0 - 6.4-10.2 HB2 LEU 53 - HG LEU 119 far 0 60 0 - 6.5-8.9 HG13 ILE 37 - HG3 ARG 23 far 0 67 0 - 8.8-23.1 HG LEU 49 - HG LEU 70 far 0 48 0 - 9.5-10.5 HG LEU 123 - HG LEU 119 far 0 60 0 - 9.7-10.5 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): 3 out of 25 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 QG2 ILE 80 - HG2 ARG 84 far 0 29 0 - 5.0-7.2 QD2 LEU 70 - HG LEU 122 far 0 61 0 - 5.2-7.6 QD2 LEU 22 - HG3 ARG 23 far 0 83 0 - 5.5-8.3 QG2 ILE 32 - HG3 ARG 23 far 0 74 0 - 5.8-14.6 QG2 VAL 57 - HG LEU 119 far 0 64 0 - 6.0-7.2 QG2 ILE 80 - HG3 ARG 84 far 0 29 0 - 6.1-7.5 QD2 LEU 69 - HG LEU 122 far 0 38 0 - 6.7-8.7 QD2 LEU 69 - HG LEU 70 far 0 48 0 - 7.1-7.7 QD1 LEU 98 - HG LEU 70 far 0 64 0 - 7.2-8.9 QD1 LEU 70 - HG LEU 122 far 0 48 0 - 7.4-9.6 QD1 LEU 98 - HG LEU 122 far 0 52 0 - 7.7-10.0 QG2 ILE 129 - HG LEU 70 far 0 66 0 - 8.0-8.8 QD1 LEU 70 - HG3 ARG 23 far 0 56 0 - 8.3-24.0 QG2 VAL 57 - HG LEU 122 far 0 52 0 - 8.3-9.6 QG2 ILE 32 - HG LEU 22 far 0 95 0 - 8.7-16.6 QG1 VAL 133 - HG2 ARG 84 far 0 56 0 - 8.9-12.4 HG13 ILE 80 - HG2 ARG 84 far 0 44 0 - 9.0-11.9 QG2 ILE 80 - HG3 ARG 23 far 0 45 0 - 9.1-23.9 QG2 ILE 129 - HG LEU 122 far 0 53 0 - 9.2-10.8 QG2 ILE 129 - HG2 ARG 84 far 0 41 0 - 9.6-12.9 QD2 LEU 22 - HG2 ARG 84 far 0 57 0 - 9.9-28.7 QG1 VAL 133 - HG3 ARG 84 far 0 56 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 398 from cnoeabs.peaks (0.89, 1.62, 26.78 ppm; 3.67 A): 5 out of 25 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 82 86 100 95 3.7-4.2 2.1/10258=49...(10) QG1 VAL 118 + HG LEU 122 OK 65 72 100 91 2.6-4.1 11612/2.1=30...(15) QD1 LEU 62 + HG LEU 119 OK 60 68 100 88 2.8-3.6 ~10992=32, 10954/3.7=28...(15) QG2 VAL 20 + HG3 ARG 23 OK 46 82 75 75 2.3-5.5 10688/3.8=27, ~11960=12...(16) QD1 LEU 62 - HG LEU 122 far 0 55 0 - 4.3-6.4 QG1 VAL 20 - HG3 ARG 23 far 0 74 0 - 4.4-7.5 QG2 VAL 63 - HG LEU 122 far 0 60 0 - 4.9-6.8 QD1 LEU 22 - HG3 ARG 23 far 0 83 0 - 5.0-8.3 QD1 LEU 49 - HG LEU 122 far 0 57 0 - 5.2-6.9 QD2 LEU 123 - HG LEU 122 far 0 68 0 - 5.4-8.4 QG2 VAL 63 - HG LEU 119 far 0 73 0 - 5.7-6.3 QD2 LEU 98 - HG LEU 70 far 0 70 0 - 6.0-8.9 QD2 LEU 69 - HG LEU 122 far 0 44 0 - 6.7-8.7 QG2 VAL 112 - HG LEU 119 far 0 46 0 - 6.7-7.6 QD1 LEU 49 - HG LEU 70 far 0 70 0 - 6.9-8.1 QD2 LEU 123 - HG LEU 119 far 0 82 0 - 7.1-8.0 QD2 LEU 69 - HG LEU 70 far 0 55 0 - 7.1-7.7 QG2 VAL 20 - HG LEU 22 far 0 100 0 - 7.2-9.4 QG1 VAL 20 - HG LEU 22 far 0 95 0 - 7.8-9.2 QD2 LEU 98 - HG LEU 122 far 0 57 0 - 8.0-9.8 QG2 VAL 63 - HG LEU 70 far 0 73 0 - 8.6-9.1 QG1 VAL 118 - HG LEU 70 far 0 86 0 - 8.7-9.5 QD1 LEU 48 - HG LEU 122 far 0 37 0 - 9.6-11.7 QG2 VAL 20 - HG LEU 70 far 0 87 0 - 10.0-27.0 Violated in 0 structures by 0.00 A. Peak 399 from cnoeabs.peaks (8.24, 1.62, 26.78 ppm; 5.27 A): 3 out of 15 assignments used, quality = 0.96: H ARG 23 + HG3 ARG 23 OK 83 83 100 100 2.0-5.0 5.0=100 H LEU 123 + HG LEU 122 OK 62 63 100 99 2.0-5.3 3899/2.1=74, 7744/3.0=58...(12) * H ARG 23 + HG LEU 22 OK 40 100 40 100 4.6-6.0 375/4.3=90, 6197/3.0=85...(14) H SER 33 - HG3 ARG 23 far 4 74 5 - 5.1-17.3 H SER 107 - HG LEU 119 far 0 81 0 - 6.4-8.1 H ALA 29 - HG LEU 22 far 0 100 0 - 6.8-21.6 H LEU 96 - HG LEU 122 far 0 37 0 - 6.9-8.2 H LEU 123 - HG LEU 119 far 0 77 0 - 6.9-7.5 H LEU 96 - HG LEU 70 far 0 46 0 - 7.1-7.6 H LYS 31 - HG3 ARG 23 far 0 75 0 - 7.5-18.3 H ALA 29 - HG3 ARG 23 far 0 82 0 - 8.4-19.5 H LYS 31 - HG LEU 22 far 0 96 0 - 8.6-21.8 H GLU 30 - HG3 ARG 23 far 0 67 0 - 8.6-19.9 H GLU 30 - HG LEU 22 far 0 89 0 - 8.6-21.9 H SER 107 - HG LEU 122 far 0 67 0 - 8.8-10.7 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 3.1-4.4 2.9/401=93, 6191=93...(15) H ILE 32 - QD2 LEU 22 far 0 99 0 - 8.0-19.3 Violated in 0 structures by 0.00 A. Peak 401 from cnoeabs.peaks (4.27, 0.84, 23.38 ppm; 3.01 A): 1 out of 10 assignments used, quality = 1.00: * HA LEU 22 + QD2 LEU 22 OK 100 100 100 100 1.8-3.1 373=90, 374/2.1=45...(20) HA LYS 19 - QD2 LEU 22 far 0 100 0 - 3.9-8.1 HA GLN 27 - QD2 LEU 22 far 0 73 0 - 4.1-14.3 HA ARG 23 - QD2 LEU 22 far 0 87 0 - 4.2-6.4 HA THR 18 - QD2 LEU 22 far 0 73 0 - 4.2-8.9 HA ALA 21 - QD2 LEU 22 far 0 78 0 - 4.6-6.9 HA LYS 26 - QD2 LEU 22 far 0 100 0 - 4.9-11.7 HA THR 25 - QD2 LEU 22 far 0 76 0 - 5.2-10.2 HA LYS 31 - QD2 LEU 22 far 0 98 0 - 7.6-21.0 HA ALA 16 - QD2 LEU 22 far 0 99 0 - 9.1-13.7 Violated in 1 structures by 0.00 A. Peak 402 from cnoeabs.peaks (1.54, 0.84, 23.38 ppm; 3.21 A increased from 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=100 Violated in 0 structures by 0.00 A. Peak 403 from cnoeabs.peaks (1.62, 0.84, 23.38 ppm; 3.23 A): 2 out of 4 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 100 100 100 100 2.2-3.2 3.1=100 HG3 ARG 23 - QD2 LEU 22 far 0 98 0 - 5.5-8.3 HG2 ARG 84 - QD2 LEU 22 far 0 83 0 - 9.9-28.7 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 4 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 95 100 100 95 2.2-3.2 3.1=68, 2.9/401=40...(15) HG3 ARG 23 - QD2 LEU 22 far 0 98 0 - 5.5-8.3 HG2 ARG 84 - QD2 LEU 22 far 0 83 0 - 9.9-28.7 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 4 assignments used, quality = 1.00: * QD1 LEU 22 + QD2 LEU 22 OK 100 100 100 100 2.0-2.1 2.1=100 QG1 VAL 20 - QD2 LEU 22 far 0 95 0 - 6.2-7.9 QG2 VAL 20 - QD2 LEU 22 far 0 100 0 - 6.3-7.4 QD2 LEU 98 - QD2 LEU 22 far 0 87 0 - 9.6-26.4 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 5 assignments used, quality = 1.00: * H ARG 23 + QD2 LEU 22 OK 100 100 100 100 3.5-4.7 375/401=98, 6200=96...(13) H ALA 29 - QD2 LEU 22 far 5 100 5 - 5.1-18.7 H LYS 31 - QD2 LEU 22 far 0 96 0 - 6.6-19.2 H GLU 30 - QD2 LEU 22 far 0 89 0 - 6.9-19.0 H SER 33 - QD2 LEU 22 far 0 95 0 - 9.2-18.4 Violated in 0 structures by 0.00 A. Peak 408 from cnoeabs.peaks (8.15, 0.89, 24.55 ppm; 4.79 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 22 + QD1 LEU 22 OK 100 100 100 100 3.6-4.3 4.9=95, 6190/3.1=93...(19) H ILE 32 - QD1 LEU 22 far 0 99 0 - 7.0-17.5 Violated in 0 structures by 0.00 A. Peak 409 from cnoeabs.peaks (4.27, 0.89, 24.55 ppm; 4.28 A): 2 out of 11 assignments used, quality = 1.00: * HA LEU 22 + QD1 LEU 22 OK 100 100 100 100 1.9-3.5 4.0=100 HA ARG 23 + QD1 LEU 22 OK 64 87 75 98 3.9-5.8 ~407=35, ~6200=34...(18) HA LYS 26 - QD1 LEU 22 far 15 100 15 - 3.6-10.1 HA LYS 19 - QD1 LEU 22 far 15 100 15 - 4.3-8.4 HA GLN 27 - QD1 LEU 22 far 4 73 5 - 4.0-12.8 HA THR 25 - QD1 LEU 22 far 0 76 0 - 5.2-8.5 HA THR 18 - QD1 LEU 22 far 0 73 0 - 5.6-8.9 HA ALA 21 - QD1 LEU 22 far 0 78 0 - 6.1-6.8 HA LYS 31 - QD1 LEU 22 far 0 98 0 - 7.3-19.3 HA SER 74 - QD1 LEU 22 far 0 76 0 - 9.9-20.8 HA ALA 16 - QD1 LEU 22 far 0 99 0 - 9.9-14.1 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 1 assignment used, quality = 1.00: * HB2 LEU 22 + QD1 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 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: 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 100 100 100 100 2.1-3.2 3.1=100 HG3 ARG 23 - QD1 LEU 22 far 0 98 0 - 5.0-8.3 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: * 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 100 100 100 100 2.1-3.2 3.1=100 HG3 ARG 23 - QD1 LEU 22 far 0 98 0 - 5.0-8.3 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 2.0-2.1 2.1=100 QG2 ILE 32 - QD1 LEU 22 far 0 95 0 - 6.0-13.0 QG2 ILE 80 - QD1 LEU 22 far 0 63 0 - 8.1-20.2 QD1 LEU 70 - QD1 LEU 22 far 0 76 0 - 8.5-20.2 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 5 assignments used, quality = 1.00: * H ARG 23 + HA ARG 23 OK 100 100 100 100 2.3-2.9 2.9=100 H LYS 31 - HA ARG 23 far 0 96 0 - 5.2-15.9 H SER 33 - HA ARG 23 far 0 95 0 - 6.2-15.0 H GLU 30 - HA ARG 23 far 0 89 0 - 7.9-16.2 H ALA 29 - HA ARG 23 far 0 100 0 - 7.9-16.1 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 5 assignments used, quality = 1.00: * HB2 ARG 23 + HA ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 31 - HA ARG 23 far 5 96 5 - 2.6-16.6 HB2 LYS 24 - HA ARG 23 far 0 99 0 - 4.6-6.1 HB2 LYS 19 - HA ARG 23 far 0 100 0 - 6.3-11.2 HB2 LYS 26 - HA ARG 23 far 0 100 0 - 7.0-10.2 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 31 - HA ARG 23 far 0 97 0 - 4.2-18.0 HB3 LYS 24 - HA ARG 23 far 0 98 0 - 5.0-6.4 HB3 LYS 19 - HA ARG 23 far 0 97 0 - 5.5-10.2 HB ILE 32 - HA ARG 23 far 0 100 0 - 7.3-15.8 HB3 LYS 26 - HA ARG 23 far 0 100 0 - 8.1-10.1 HB2 CYS 79 - HA ARG 23 far 0 90 0 - 8.4-22.1 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 1 assignment used, quality = 1.00: * HG2 ARG 23 + HA ARG 23 OK 100 100 100 100 2.1-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 421 from cnoeabs.peaks (1.63, 4.29, 55.99 ppm; 4.32 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 23 + HA ARG 23 OK 100 100 100 100 2.7-4.2 3.8=100 HB3 LEU 22 - HA ARG 23 far 5 98 5 - 4.2-6.1 HG LEU 22 - HA ARG 23 far 0 98 0 - 6.3-7.5 HD3 LYS 19 - HA ARG 23 far 0 76 0 - 8.4-12.6 HD2 LYS 19 - HA ARG 23 far 0 76 0 - 8.7-12.2 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 4 assignments used, quality = 1.00: HD3 ARG 23 + HA ARG 23 OK 100 100 100 100 3.8-5.2 4.9=97, ~6205=40...(21) * HD2 ARG 23 + HA ARG 23 OK 100 100 100 100 3.8-4.6 4.9=97, ~6205=40...(21) HB2 HIS 10 - HA ARG 23 far 0 99 0 - 5.4-33.1 HB3 HIS 7 - HA ARG 23 far 0 93 0 - 9.9-42.3 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 4 assignments used, quality = 1.00: * HD3 ARG 23 + HA ARG 23 OK 100 100 100 100 3.8-5.2 4.9=97, ~6205=40...(21) HD2 ARG 23 + HA ARG 23 OK 100 100 100 100 3.8-4.6 4.9=97, ~6205=40...(21) HB2 HIS 10 - HA ARG 23 far 0 99 0 - 5.4-33.1 HB3 HIS 7 - HA ARG 23 far 0 93 0 - 9.9-42.3 Violated in 0 structures by 0.00 A. Peak 424 from cnoeabs.peaks (8.37, 4.29, 55.99 ppm; 3.13 A increased from 2.64 A): 1 out of 5 assignments used, quality = 0.91: * H LYS 24 + HA ARG 23 OK 91 100 100 91 2.3-3.2 6212=74, 6209/2.9=44...(7) H LYS 26 - HA ARG 23 far 0 100 0 - 6.9-8.7 H LYS 19 - HA ARG 23 far 0 83 0 - 7.4-10.6 H GLN 27 - HA ARG 23 far 0 85 0 - 7.4-9.9 H ASP 35 - HA ARG 23 far 0 89 0 - 9.4-16.2 Violated in 2 structures by 0.01 A. Peak 425 from cnoeabs.peaks (8.24, 1.75, 30.64 ppm; 3.40 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.1-2.9 6203=100, 434/1.8=61...(8) H LYS 31 - HB2 ARG 23 far 0 96 0 - 7.0-18.0 H SER 33 - HB2 ARG 23 far 0 95 0 - 7.3-16.9 H ALA 29 - HB2 ARG 23 far 0 100 0 - 9.9-18.1 Violated in 0 structures by 0.00 A. Peak 426 from cnoeabs.peaks (4.29, 1.75, 30.64 ppm; 3.46 A): 1 out of 11 assignments used, quality = 1.00: * HA ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 21 - HB2 ARG 23 far 10 100 10 - 4.0-6.3 HA LEU 22 - HB2 ARG 23 far 0 87 0 - 4.2-5.7 HA LYS 19 - HB2 ARG 23 far 0 85 0 - 4.5-9.3 HA LYS 31 - HB2 ARG 23 far 0 98 0 - 5.8-19.1 HA THR 25 - HB2 ARG 23 far 0 100 0 - 6.8-9.4 HA LYS 26 - HB2 ARG 23 far 0 89 0 - 6.9-10.2 HA THR 18 - HB2 ARG 23 far 0 99 0 - 7.6-9.8 HA ALA 16 - HB2 ARG 23 far 0 97 0 - 7.9-16.1 HA SER 74 - HB2 ARG 23 far 0 100 0 - 9.3-25.5 HA ALA 15 - HB2 ARG 23 far 0 100 0 - 9.7-17.0 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 8 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 19 - HB2 ARG 23 far 0 97 0 - 4.0-9.5 HB3 LYS 31 - HB2 ARG 23 far 0 97 0 - 5.4-20.0 HB3 LYS 24 - HB2 ARG 23 far 0 98 0 - 6.3-7.9 HB2 CYS 79 - HB2 ARG 23 far 0 90 0 - 8.1-24.6 HB3 LYS 26 - HB2 ARG 23 far 0 100 0 - 8.8-12.3 HB ILE 32 - HB2 ARG 23 far 0 100 0 - 8.9-17.5 HB2 LYS 86 - HB2 ARG 23 far 0 63 0 - 9.5-29.3 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 1 assignment used, quality = 1.00: * HG2 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 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 5 assignments used, quality = 1.00: * HG3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 22 - HB2 ARG 23 far 0 98 0 - 5.0-7.3 HG LEU 22 - HB2 ARG 23 far 0 98 0 - 6.6-8.4 HD3 LYS 19 - HB2 ARG 23 far 0 76 0 - 7.3-12.6 HD2 LYS 19 - HB2 ARG 23 far 0 76 0 - 7.5-11.9 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 5 assignments used, quality = 1.00: * HD2 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-3.4 3.7=100 HD3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.1-3.9 3.7=100 HB2 HIS 10 - HB2 ARG 23 far 0 99 0 - 6.5-33.2 HD2 ARG 90 - HB2 ARG 23 far 0 100 0 - 8.3-27.7 HD3 ARG 90 - HB2 ARG 23 far 0 100 0 - 8.4-28.6 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 5 assignments used, quality = 1.00: HD2 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-3.4 3.7=100 * HD3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.1-3.9 3.7=100 HB2 HIS 10 - HB2 ARG 23 far 0 99 0 - 6.5-33.2 HD2 ARG 90 - HB2 ARG 23 far 0 100 0 - 8.3-27.7 HD3 ARG 90 - HB2 ARG 23 far 0 100 0 - 8.4-28.6 Violated in 0 structures by 0.00 A. Peak 433 from cnoeabs.peaks (8.37, 1.75, 30.64 ppm; 4.87 A increased from 4.33 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 24 + HB2 ARG 23 OK 100 100 100 100 3.6-4.7 4.2=100 H LYS 19 - HB2 ARG 23 far 0 83 0 - 6.3-10.3 H LYS 26 - HB2 ARG 23 far 0 100 0 - 8.1-10.6 H GLN 27 - HB2 ARG 23 far 0 85 0 - 9.1-12.4 H ASP 35 - HB2 ARG 23 far 0 89 0 - 9.1-18.3 Violated in 0 structures by 0.00 A. Peak 434 from cnoeabs.peaks (8.24, 1.82, 30.64 ppm; 3.79 A increased from 3.37 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.3-3.9 6204=99, 6203/1.8=94...(9) H SER 33 - HB3 ARG 23 far 0 95 0 - 7.2-17.0 H LYS 31 - HB3 ARG 23 far 0 96 0 - 8.0-18.9 Violated in 1 structures by 0.01 A. Peak 435 from cnoeabs.peaks (4.29, 1.82, 30.64 ppm; 3.39 A): 1 out of 10 assignments used, quality = 1.00: * HA ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 22 - HB3 ARG 23 far 0 87 0 - 4.8-6.4 HA ALA 21 - HB3 ARG 23 far 0 100 0 - 5.1-7.7 HA THR 25 - HB3 ARG 23 far 0 100 0 - 5.2-9.1 HA LYS 26 - HB3 ARG 23 far 0 89 0 - 5.4-10.0 HA LYS 19 - HB3 ARG 23 far 0 85 0 - 5.8-10.6 HA LYS 31 - HB3 ARG 23 far 0 98 0 - 7.2-20.2 HA THR 18 - HB3 ARG 23 far 0 99 0 - 8.2-10.8 HA ALA 16 - HB3 ARG 23 far 0 97 0 - 8.4-17.2 HA SER 74 - HB3 ARG 23 far 0 100 0 - 9.0-25.7 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 31 - HB3 ARG 23 far 0 96 0 - 5.4-19.6 HB2 LYS 24 - HB3 ARG 23 far 0 99 0 - 6.1-7.3 HB2 LYS 26 - HB3 ARG 23 far 0 100 0 - 6.4-12.2 HB2 LYS 19 - HB3 ARG 23 far 0 100 0 - 6.5-12.1 HB ILE 80 - HB3 ARG 23 far 0 87 0 - 10.0-27.9 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 1 assignment used, quality = 1.00: * HG2 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 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 5 assignments used, quality = 1.00: * HG3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 22 - HB3 ARG 23 far 0 98 0 - 6.2-7.6 HG LEU 22 - HB3 ARG 23 far 0 98 0 - 6.9-8.7 HD3 LYS 19 - HB3 ARG 23 far 0 76 0 - 8.5-12.9 HD2 LYS 19 - HB3 ARG 23 far 0 76 0 - 8.9-12.7 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 5 assignments used, quality = 1.00: * HD2 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.0-3.9 3.7=100 HD3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.6-4.2 3.7=100 HB2 HIS 10 - HB3 ARG 23 far 0 99 0 - 7.7-33.9 HD2 ARG 90 - HB3 ARG 23 far 0 100 0 - 9.2-27.6 HD3 ARG 90 - HB3 ARG 23 far 0 100 0 - 9.3-28.6 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 5 assignments used, quality = 1.00: HD2 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.0-3.9 3.7=100 * HD3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.6-4.2 3.7=100 HB2 HIS 10 - HB3 ARG 23 far 0 99 0 - 7.7-33.9 HD2 ARG 90 - HB3 ARG 23 far 0 100 0 - 9.2-27.6 HD3 ARG 90 - HB3 ARG 23 far 0 100 0 - 9.3-28.6 Violated in 0 structures by 0.00 A. Peak 442 from cnoeabs.peaks (8.37, 1.82, 30.64 ppm; 4.58 A increased from 4.31 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 24 + HB3 ARG 23 OK 100 100 100 100 3.6-4.6 4.2=100 H LYS 26 - HB3 ARG 23 far 0 100 0 - 6.4-10.5 H LYS 19 - HB3 ARG 23 far 0 83 0 - 7.5-11.0 H GLN 27 - HB3 ARG 23 far 0 85 0 - 7.9-12.5 H ASP 35 - HB3 ARG 23 far 0 89 0 - 8.2-17.9 Violated in 0 structures by 0.00 A. Peak 443 from cnoeabs.peaks (8.24, 1.57, 26.98 ppm; 4.27 A): 2 out of 9 assignments used, quality = 1.00: * H ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.2-4.2 6205=100, 6203/3.0=86...(17) H LEU 123 + HG LEU 123 OK 66 66 100 100 4.0-4.5 4.6=80, 3952/2.1=64...(13) H SER 107 - HG LEU 103 poor 14 31 95 48 4.0-5.0 ~10115=14, 3.0/11630=11...(8) H SER 33 - HG2 ARG 23 far 5 95 5 - 4.6-16.9 H LYS 31 - HG2 ARG 23 far 0 96 0 - 5.8-18.6 H LEU 123 - HG LEU 49 far 0 92 0 - 6.5-7.6 H ALA 29 - HG2 ARG 23 far 0 100 0 - 8.3-18.4 H GLU 30 - HG2 ARG 23 far 0 89 0 - 8.4-18.9 H LEU 123 - HG LEU 103 far 0 29 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 444 from cnoeabs.peaks (4.29, 1.57, 26.98 ppm; 3.80 A): 1 out of 16 assignments used, quality = 1.00: * HA ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.1-3.8 3.8=100 HA ALA 21 - HG2 ARG 23 far 15 100 15 - 3.5-7.6 HA LEU 22 - HG2 ARG 23 far 4 87 5 - 4.1-7.0 HA LYS 31 - HG2 ARG 23 far 0 98 0 - 4.9-19.9 HA LYS 26 - HG2 ARG 23 far 0 89 0 - 5.4-10.1 HA LYS 19 - HG2 ARG 23 far 0 85 0 - 5.9-11.2 HA THR 25 - HG2 ARG 23 far 0 100 0 - 6.0-8.8 HA ALA 108 - HG LEU 103 far 0 32 0 - 6.4-8.4 HA GLN 61 - HG LEU 103 far 0 33 0 - 7.6-8.9 HA ALA 110 - HG LEU 103 far 0 34 0 - 7.7-10.5 HA THR 18 - HG2 ARG 23 far 0 99 0 - 7.8-10.7 HA ALA 16 - HG2 ARG 23 far 0 97 0 - 7.9-16.2 HA GLN 61 - HG LEU 49 far 0 99 0 - 8.0-8.4 HA ALA 109 - HG LEU 103 far 0 32 0 - 8.1-10.2 HA SER 74 - HG2 ARG 23 far 0 100 0 - 9.8-24.6 HA ALA 12 - HG2 ARG 23 far 0 100 0 - 10.0-27.0 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 10 assignments used, quality = 1.00: * HB2 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 31 - HG2 ARG 23 far 5 96 5 - 3.6-19.4 HB2 LEU 48 - HG LEU 49 far 0 67 0 - 3.9-4.7 HB2 LYS 24 - HG2 ARG 23 far 0 99 0 - 4.0-7.6 HB2 LYS 26 - HG2 ARG 23 far 0 100 0 - 5.9-12.5 HG LEU 100 - HG LEU 103 far 0 22 0 - 6.2-7.2 HG LEU 100 - HG LEU 49 far 0 77 0 - 6.8-7.4 HB2 LYS 19 - HG2 ARG 23 far 0 100 0 - 7.0-12.6 HG13 ILE 129 - HG LEU 49 far 0 96 0 - 8.3-11.9 HG13 ILE 129 - HG LEU 123 far 0 70 0 - 9.1-12.2 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 14 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 2.9-3.0 3.0=100 HB3 LYS 24 - HG2 ARG 23 far 0 98 0 - 4.7-7.9 HB3 LYS 31 - HG2 ARG 23 far 0 97 0 - 5.2-20.8 HB3 LEU 122 - HG LEU 49 far 0 59 0 - 5.3-8.0 HB3 LYS 19 - HG2 ARG 23 far 0 97 0 - 5.8-11.6 HB3 LEU 122 - HG LEU 123 far 0 39 0 - 6.3-8.1 HB ILE 32 - HG2 ARG 23 far 0 100 0 - 6.5-17.4 HB3 LEU 123 - HG LEU 49 far 0 81 0 - 6.6-7.7 HB2 LEU 100 - HG LEU 103 far 0 34 0 - 7.1-8.0 HB3 LYS 26 - HG2 ARG 23 far 0 100 0 - 7.6-12.4 HB2 LYS 36 - HG2 ARG 23 far 0 99 0 - 8.2-21.3 HB2 LEU 100 - HG LEU 49 far 0 100 0 - 9.0-9.7 HB2 CYS 79 - HG2 ARG 23 far 0 90 0 - 9.5-24.0 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 19 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 39 48 100 81 2.3-2.4 3.0=57, ~3947=21...(11) HB2 LEU 122 - HG LEU 49 far 0 88 0 - 4.7-6.7 HG LEU 119 - HG LEU 103 far 0 34 0 - 4.9-6.0 HB3 LEU 22 - HG2 ARG 23 far 0 98 0 - 5.4-8.4 HG LEU 122 - HG LEU 49 far 0 79 0 - 5.5-7.5 HG LEU 122 - HG LEU 103 far 0 23 0 - 5.7-7.6 HG LEU 62 - HG LEU 103 far 0 22 0 - 6.2-7.4 HG LEU 122 - HG LEU 123 far 0 54 0 - 6.2-9.5 HG LEU 22 - HG2 ARG 23 far 0 98 0 - 6.4-9.5 HG LEU 62 - HG LEU 49 far 0 77 0 - 6.5-7.2 HB2 LEU 122 - HG LEU 123 far 0 61 0 - 6.9-7.9 HB2 LEU 123 - HG LEU 49 far 0 72 0 - 7.7-9.0 HB2 LEU 122 - HG LEU 103 far 0 26 0 - 7.7-9.2 HD3 LYS 19 - HG2 ARG 23 far 0 76 0 - 9.0-13.6 HD2 LYS 19 - HG2 ARG 23 far 0 76 0 - 9.4-12.6 HG LEU 70 - HG LEU 49 far 0 92 0 - 9.5-10.5 HG LEU 119 - HG LEU 123 far 0 75 0 - 9.7-10.5 HG LEU 70 - HG2 ARG 23 far 0 93 0 - 9.7-29.2 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 8 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 0 99 0 - 5.1-32.9 HB2 HIS 6 - HG LEU 123 far 0 68 0 - 7.1-61.9 HB3 HIS 6 - HG LEU 123 far 0 76 0 - 7.3-62.5 HB3 HIS 7 - HG LEU 123 far 0 66 0 - 8.1-59.6 HB3 HIS 7 - HG LEU 103 far 0 29 0 - 9.1-56.0 HB3 HIS 3 - HG LEU 123 far 0 66 0 - 9.8-67.3 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 8 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 0 99 0 - 5.1-32.9 HB2 HIS 6 - HG LEU 123 far 0 68 0 - 7.1-61.9 HB3 HIS 6 - HG LEU 123 far 0 76 0 - 7.3-62.5 HB3 HIS 7 - HG LEU 123 far 0 66 0 - 8.1-59.6 HB3 HIS 7 - HG LEU 103 far 0 29 0 - 9.1-56.0 HB3 HIS 3 - HG LEU 123 far 0 66 0 - 9.8-67.3 Violated in 0 structures by 0.00 A. Peak 451 from cnoeabs.peaks (8.37, 1.57, 26.98 ppm; 5.81 A): 2 out of 8 assignments used, quality = 1.00: * H LYS 24 + HG2 ARG 23 OK 100 100 100 100 3.5-4.7 4.6=100 H THR 65 + HG LEU 49 OK 96 96 100 100 4.5-4.9 4.0/10992=86, ~9433=65...(14) H GLN 27 - HG2 ARG 23 far 0 85 0 - 7.0-12.7 H LYS 26 - HG2 ARG 23 far 0 100 0 - 7.1-10.8 H THR 65 - HG LEU 103 far 0 31 0 - 7.6-9.0 H ASP 35 - HG2 ARG 23 far 0 89 0 - 8.0-17.8 H LYS 19 - HG2 ARG 23 far 0 83 0 - 8.1-11.3 H HIS 3 - HG LEU 123 far 0 71 0 - 8.2-68.1 Violated in 0 structures by 0.00 A. Peak 452 from cnoeabs.peaks (8.24, 1.63, 26.98 ppm; 5.07 A increased from 4.27 A): 1 out of 13 assignments used, quality = 1.00: * H ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.0-5.0 5.0=100 H SER 33 - HG3 ARG 23 far 5 95 5 - 5.1-17.3 H ARG 23 - HG LEU 22 far 4 83 5 - 4.6-6.0 H SER 107 - HG LEU 119 far 0 95 0 - 6.4-8.1 H ALA 29 - HG LEU 22 far 0 82 0 - 6.8-21.6 H ASP 131 - HG LEU 43 far 0 42 0 - 6.8-7.8 H LEU 123 - HG LEU 119 far 0 91 0 - 6.9-7.5 H LEU 96 - HG LEU 70 far 0 41 0 - 7.1-7.6 H LYS 31 - HG3 ARG 23 far 0 96 0 - 7.5-18.3 H ALA 29 - HG3 ARG 23 far 0 100 0 - 8.4-19.5 H LYS 31 - HG LEU 22 far 0 75 0 - 8.6-21.8 H GLU 30 - HG3 ARG 23 far 0 89 0 - 8.6-19.9 H GLU 30 - HG LEU 22 far 0 67 0 - 8.6-21.9 Violated in 0 structures by 0.00 A. Peak 453 from cnoeabs.peaks (4.29, 1.63, 26.98 ppm; 4.50 A): 2 out of 34 assignments used, quality = 1.00: * HA ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.7-4.2 3.8=100 HA LEU 22 + HG LEU 22 OK 66 66 100 100 2.2-3.7 4.3=100 HA LYS 26 - HG3 ARG 23 poor 18 89 20 - 4.2-11.2 HA LEU 22 - HG3 ARG 23 far 9 87 10 - 4.7-7.4 HA LYS 19 - HG LEU 22 far 6 64 10 - 4.7-8.7 HA ALA 21 - HG3 ARG 23 lone 5 100 45 12 3.3-8.8 6202/5.0=5, 10688/398=3...(4) HA ALA 12 - HG3 ARG 84 far 0 78 0 - 5.2-49.4 HA THR 25 - HG3 ARG 23 far 0 100 0 - 5.2-8.9 HA THR 18 - HG LEU 22 far 0 81 0 - 5.7-10.0 HA LYS 19 - HG3 ARG 23 far 0 85 0 - 6.3-11.1 HA ARG 23 - HG LEU 22 far 0 83 0 - 6.3-7.5 HA LYS 26 - HG LEU 22 far 0 67 0 - 6.5-12.8 HA ALA 16 - HG3 ARG 23 far 0 97 0 - 6.5-17.6 HA ASP 131 - HG LEU 43 far 0 47 0 - 6.6-7.7 HA LYS 31 - HG3 ARG 23 far 0 98 0 - 6.6-20.1 HA ALA 21 - HG LEU 22 far 0 82 0 - 6.7-7.7 HA ALA 12 - HG2 ARG 84 far 0 78 0 - 6.9-48.4 HB THR 115 - HG LEU 119 far 0 94 0 - 7.0-7.5 HA ALA 15 - HG LEU 70 far 0 80 0 - 7.0-40.0 HA THR 18 - HG3 ARG 23 far 0 99 0 - 7.2-11.8 HA ALA 15 - HG2 ARG 84 far 0 78 0 - 7.5-48.5 HA SER 74 - HG LEU 70 far 0 79 0 - 7.8-9.2 HA ALA 109 - HG LEU 119 far 0 97 0 - 8.1-9.7 HA PHE 87 - HG2 ARG 84 far 0 56 0 - 8.1-9.6 HA THR 25 - HG LEU 22 far 0 81 0 - 8.2-12.0 HA ALA 15 - HG3 ARG 84 far 0 78 0 - 8.2-50.1 HA ALA 16 - HG LEU 70 far 0 75 0 - 8.6-40.8 HA ALA 15 - HG3 ARG 23 far 0 100 0 - 8.7-19.1 HA TYR 76 - HG LEU 43 far 0 40 0 - 9.0-10.0 HA ALA 108 - HG LEU 119 far 0 97 0 - 9.2-10.8 HA PHE 87 - HG3 ARG 84 far 0 56 0 - 9.3-10.2 HA ALA 110 - HG LEU 119 far 0 99 0 - 9.3-11.1 HA SER 74 - HG3 ARG 23 far 0 100 0 - 9.4-25.0 HA LYS 31 - HG LEU 22 far 0 78 0 - 10.0-24.0 Violated in 0 structures by 0.00 A. Peak 454 from cnoeabs.peaks (1.75, 1.63, 26.98 ppm; 3.41 A): 2 out of 19 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 HB2 LYS 39 - HG LEU 43 far 7 68 10 - 3.4-5.3 HB2 LYS 24 - HG LEU 22 far 0 79 0 - 4.7-9.2 HB2 LYS 26 - HG3 ARG 23 far 0 100 0 - 5.1-12.8 HG LEU 100 - HG LEU 70 far 0 56 0 - 5.2-6.2 HB2 LYS 24 - HG3 ARG 23 far 0 99 0 - 5.3-7.9 HB2 LYS 31 - HG3 ARG 23 far 0 96 0 - 5.3-18.1 HB2 ARG 23 - HG LEU 22 far 0 83 0 - 6.6-8.4 HB2 LYS 19 - HG LEU 22 far 0 81 0 - 6.8-10.9 HB2 LYS 31 - HG LEU 22 far 0 75 0 - 7.0-21.8 HB2 LYS 19 - HG3 ARG 23 far 0 100 0 - 7.2-12.4 HG LEU 100 - HG LEU 119 far 0 76 0 - 7.9-9.4 HB2 LYS 26 - HG LEU 22 far 0 81 0 - 8.0-15.1 HB ILE 80 - HG2 ARG 84 far 0 62 0 - 8.3-10.6 HG13 ILE 129 - HG LEU 43 far 0 63 0 - 8.7-10.7 HG13 ILE 129 - HG LEU 70 far 0 74 0 - 8.8-10.4 HG3 ARG 90 - HG LEU 70 far 0 54 0 - 9.4-12.9 HB ILE 80 - HG3 ARG 84 far 0 62 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 455 from cnoeabs.peaks (1.82, 1.63, 26.98 ppm; 3.40 A): 3 out of 28 assignments used, quality = 1.00: * HB3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 84 + HG3 ARG 84 OK 68 68 100 100 2.2-2.5 3.0=100 HB2 ARG 84 + HG2 ARG 84 OK 68 68 100 100 2.4-3.0 3.0=100 HB2 LEU 100 - HG LEU 70 far 0 80 0 - 4.3-4.8 HB3 ARG 135 - HG2 ARG 84 far 0 77 0 - 5.5-9.9 HB3 LYS 19 - HG3 ARG 23 far 0 97 0 - 5.6-11.1 HB3 LYS 24 - HG LEU 22 far 0 78 0 - 5.9-10.7 HB3 ARG 135 - HG3 ARG 84 far 0 77 0 - 6.0-8.6 HB3 LEU 122 - HG LEU 119 far 0 58 0 - 6.1-7.3 HB3 LYS 26 - HG3 ARG 23 far 0 100 0 - 6.2-12.8 HB3 LYS 24 - HG3 ARG 23 far 0 98 0 - 6.3-8.1 HB3 LYS 31 - HG3 ARG 23 far 0 97 0 - 6.8-19.8 HB3 ARG 23 - HG LEU 22 far 0 83 0 - 6.9-8.7 HB3 LYS 19 - HG LEU 22 far 0 76 0 - 7.2-10.1 HB2 LYS 86 - HG2 ARG 84 far 0 42 0 - 7.2-8.5 HB3 LEU 123 - HG LEU 119 far 0 80 0 - 7.3-8.5 HB ILE 32 - HG3 ARG 23 far 0 100 0 - 7.7-18.1 HB3 LYS 31 - HG LEU 22 far 0 76 0 - 7.8-23.2 HB VAL 93 - HG LEU 70 far 0 79 0 - 7.9-8.7 HB2 CYS 79 - HG3 ARG 23 far 0 90 0 - 8.0-23.9 HB3 LEU 122 - HG LEU 70 far 0 41 0 - 8.1-10.4 HB2 LYS 86 - HG3 ARG 84 far 0 42 0 - 8.2-9.7 HB3 LYS 26 - HG LEU 22 far 0 82 0 - 8.5-15.1 HB2 LYS 36 - HG3 ARG 23 far 0 99 0 - 8.7-21.9 HB2 LYS 86 - HG3 ARG 23 far 0 63 0 - 8.8-27.6 HB3 LYS 24 - HG LEU 70 far 0 76 0 - 9.3-30.2 HB3 ARG 135 - HG LEU 43 far 0 68 0 - 9.4-11.2 HB2 LEU 100 - HG LEU 119 far 0 99 0 - 9.6-11.1 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 10 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 103 - HG LEU 119 far 0 99 0 - 4.3-5.8 HG LEU 103 - HG LEU 119 far 0 83 0 - 4.9-6.0 HG LEU 122 - HG LEU 119 far 0 58 0 - 5.7-7.9 HG2 ARG 23 - HG LEU 22 far 0 83 0 - 6.4-9.5 HG LEU 122 - HG LEU 70 far 0 41 0 - 7.2-10.2 HG13 ILE 37 - HG3 ARG 23 far 0 93 0 - 8.8-23.1 HG LEU 49 - HG LEU 70 far 0 80 0 - 9.5-10.5 HG LEU 123 - HG LEU 119 far 0 97 0 - 9.7-10.5 HG2 ARG 23 - HG LEU 70 far 0 80 0 - 9.7-29.2 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 19 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 2.2-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 40 40 100 100 2.2-3.0 3.0=100 HD2 ARG 84 + HG3 ARG 84 OK 40 40 100 100 2.2-3.0 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 40 40 100 100 2.3-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 40 40 100 100 2.3-3.0 3.0=100 HB3 HIS 7 - HG LEU 22 far 4 72 5 - 3.5-43.0 HD3 ARG 23 - HG LEU 22 far 0 83 0 - 6.1-10.7 HD2 ARG 23 - HG LEU 22 far 0 83 0 - 6.6-10.8 HB3 HIS 6 - HG LEU 22 far 0 82 0 - 6.7-43.4 HB2 HIS 10 - HG3 ARG 23 far 0 99 0 - 6.8-32.8 HB2 HIS 10 - HG LEU 22 far 0 81 0 - 6.9-33.8 HB2 HIS 6 - HG LEU 22 far 0 75 0 - 7.8-43.3 HB3 HIS 3 - HG LEU 119 far 0 91 0 - 8.3-62.7 HD2 ARG 90 - HG3 ARG 23 far 0 100 0 - 8.8-26.7 HD3 ARG 90 - HG LEU 70 far 0 80 0 - 9.1-11.7 HD3 ARG 90 - HG3 ARG 23 far 0 100 0 - 9.2-27.7 HD3 ARG 23 - HG LEU 70 far 0 80 0 - 9.9-32.1 HD2 ARG 90 - HG LEU 70 far 0 80 0 - 10.0-12.2 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 19 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 2.2-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 40 40 100 100 2.2-3.0 3.0=100 HD2 ARG 84 + HG3 ARG 84 OK 40 40 100 100 2.2-3.0 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 40 40 100 100 2.3-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 40 40 100 100 2.3-3.0 3.0=100 HB3 HIS 7 - HG LEU 22 far 4 72 5 - 3.5-43.0 HD3 ARG 23 - HG LEU 22 far 0 83 0 - 6.1-10.7 HD2 ARG 23 - HG LEU 22 far 0 83 0 - 6.6-10.8 HB3 HIS 6 - HG LEU 22 far 0 82 0 - 6.7-43.4 HB2 HIS 10 - HG3 ARG 23 far 0 99 0 - 6.8-32.8 HB2 HIS 10 - HG LEU 22 far 0 81 0 - 6.9-33.8 HB2 HIS 6 - HG LEU 22 far 0 75 0 - 7.8-43.3 HB3 HIS 3 - HG LEU 119 far 0 91 0 - 8.3-62.7 HD2 ARG 90 - HG3 ARG 23 far 0 100 0 - 8.8-26.7 HD3 ARG 90 - HG LEU 70 far 0 80 0 - 9.1-11.7 HD3 ARG 90 - HG3 ARG 23 far 0 100 0 - 9.2-27.7 HD3 ARG 23 - HG LEU 70 far 0 80 0 - 9.9-32.1 HD2 ARG 90 - HG LEU 70 far 0 80 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 460 from cnoeabs.peaks (8.37, 1.63, 26.98 ppm; 5.67 A): 3 out of 16 assignments used, quality = 1.00: * H LYS 24 + HG3 ARG 23 OK 100 100 100 100 4.4-5.6 4.6=100 H LYS 24 + HG LEU 22 OK 73 83 90 98 5.0-6.9 10733/2.1=93, 6216=28...(8) H LYS 86 + HG2 ARG 84 OK 23 40 95 61 4.5-6.3 7098/4.6=36, 3.9/7105=20...(6) H LYS 26 - HG3 ARG 23 poor 20 100 20 - 6.1-10.9 H LYS 86 - HG3 ARG 84 poor 12 40 30 - 5.8-7.2 H GLN 27 - HG3 ARG 23 far 4 85 5 - 6.2-13.8 H GLY 14 - HG3 ARG 84 far 4 78 5 - 4.6-49.2 H GLY 14 - HG2 ARG 84 far 4 78 5 - 4.9-47.7 H LYS 19 - HG LEU 22 far 0 62 0 - 6.3-10.5 H GLY 14 - HG LEU 70 far 0 80 0 - 7.1-37.6 H LYS 19 - HG3 ARG 23 far 0 83 0 - 7.5-11.8 H GLN 27 - HG LEU 22 far 0 64 0 - 7.7-15.6 H ASP 35 - HG3 ARG 23 far 0 89 0 - 8.0-18.3 H LYS 26 - HG LEU 22 far 0 83 0 - 8.3-13.5 H THR 65 - HG LEU 70 far 0 74 0 - 9.5-10.3 H HIS 3 - HG LEU 119 far 0 96 0 - 9.7-63.9 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 12 assignments used, quality = 1.00: * H ARG 23 + HD2 ARG 23 OK 100 100 100 100 1.9-5.9 6.4=100 H ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.3-5.9 6.4=100 H SER 33 - HD3 ARG 23 far 5 95 5 - 5.6-19.4 H SER 33 - HD2 ARG 23 far 5 95 5 - 6.7-18.8 H LYS 31 - HD2 ARG 23 far 0 96 0 - 7.6-19.2 H LEU 96 - HD3 ARG 90 far 0 51 0 - 7.8-10.4 H LYS 31 - HD3 ARG 23 far 0 96 0 - 8.2-20.1 H LEU 96 - HD2 ARG 90 far 0 50 0 - 8.5-11.3 H GLU 30 - HD3 ARG 23 far 0 89 0 - 9.0-19.9 H ALA 29 - HD2 ARG 23 far 0 100 0 - 9.3-19.5 H ALA 29 - HD3 ARG 23 far 0 100 0 - 9.9-20.1 H ARG 23 - HD2 ARG 90 far 0 92 0 - 9.9-27.6 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 43 assignments used, quality = 1.00: * HA ARG 23 + HD2 ARG 23 OK 99 100 100 99 3.8-4.6 4.9=63, 423/1.8=31...(21) HA SER 74 + HD2 ARG 90 OK 70 91 100 77 3.1-4.7 11195/9659=28...(10) HA SER 74 + HD3 ARG 90 OK 65 92 95 74 2.8-5.1 11195/11384=28...(8) HA ARG 23 + HD3 ARG 23 OK 54 100 55 99 3.8-5.2 4.9=63, 422/1.8=31...(21) HA ALA 21 - HD2 ARG 23 far 10 100 10 - 2.9-9.0 HA ALA 21 - HD3 ARG 23 far 10 100 10 - 4.3-8.1 HA LEU 22 - HD3 ARG 23 far 9 87 10 - 3.0-8.6 HA LEU 22 - HD2 ARG 23 far 9 87 10 - 3.1-8.6 HA PHE 87 - HD2 ARG 90 far 0 69 0 - 5.0-6.9 HA THR 25 - HD2 ARG 23 far 0 100 0 - 5.6-10.3 HA PHE 87 - HD3 ARG 90 far 0 70 0 - 5.6-7.0 HA LYS 19 - HD2 ARG 23 far 0 85 0 - 5.7-11.3 HA LYS 31 - HD2 ARG 23 far 0 98 0 - 5.8-20.9 HA LYS 26 - HD3 ARG 23 far 0 89 0 - 5.8-12.4 HA LYS 19 - HD3 ARG 23 far 0 85 0 - 6.2-11.9 HA ALA 21 - HD2 ARG 90 far 0 91 0 - 6.3-29.9 HA LYS 31 - HD3 ARG 23 far 0 98 0 - 6.5-21.8 HA LYS 26 - HD2 ARG 23 far 0 89 0 - 6.5-11.6 HA ALA 16 - HD3 ARG 90 far 0 88 0 - 6.6-39.8 HA THR 25 - HD3 ARG 23 far 0 100 0 - 6.7-10.7 HA THR 18 - HD2 ARG 23 far 0 99 0 - 7.0-11.3 HA LYS 19 - HD3 ARG 90 far 0 74 0 - 7.1-35.5 HA SER 74 - HD3 ARG 23 far 0 100 0 - 7.3-27.2 HA ALA 21 - HD3 ARG 90 far 0 92 0 - 7.4-30.7 HA ALA 16 - HD3 ARG 23 far 0 97 0 - 7.5-17.9 HA THR 18 - HD3 ARG 23 far 0 99 0 - 7.6-11.8 HA THR 18 - HD3 ARG 90 far 0 91 0 - 7.6-34.7 HA TYR 76 - HD2 ARG 90 far 0 58 0 - 7.7-8.8 HA ALA 16 - HD2 ARG 90 far 0 87 0 - 7.8-39.1 HA SER 74 - HD2 ARG 23 far 0 100 0 - 8.0-27.0 HA LYS 19 - HD2 ARG 90 far 0 73 0 - 8.0-34.5 HA TYR 76 - HD3 ARG 90 far 0 58 0 - 8.1-10.3 HA ALA 15 - HD3 ARG 90 far 0 93 0 - 8.1-39.9 HA THR 18 - HD2 ARG 90 far 0 91 0 - 8.3-33.9 HA TYR 76 - HD3 ARG 23 far 0 68 0 - 8.6-26.1 HA ALA 15 - HD3 ARG 23 far 0 100 0 - 8.6-19.0 HA ALA 12 - HD3 ARG 90 far 0 93 0 - 8.7-34.4 HA ALA 12 - HD2 ARG 23 far 0 100 0 - 8.9-27.7 HA ALA 12 - HD2 ARG 90 far 0 92 0 - 8.9-34.6 HA ALA 16 - HD2 ARG 23 far 0 97 0 - 9.0-17.0 HA ALA 15 - HD2 ARG 90 far 0 92 0 - 9.1-39.4 HA TYR 76 - HD2 ARG 23 far 0 68 0 - 9.4-25.9 HA ALA 12 - HD3 ARG 23 far 0 100 0 - 9.8-28.7 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 24 assignments used, quality = 1.00: * HB2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-3.4 3.7=100 HB2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.1-3.9 3.7=100 HG3 ARG 90 + HD3 ARG 90 OK 66 66 100 100 2.2-2.9 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 65 65 100 100 2.6-3.0 3.0=100 HB2 LYS 24 - HD3 ARG 23 far 0 99 0 - 5.1-9.4 HB2 LYS 19 - HD3 ARG 90 far 0 92 0 - 5.2-37.5 HB2 LYS 31 - HD2 ARG 23 far 0 96 0 - 5.2-19.4 HB2 LYS 19 - HD2 ARG 23 far 0 100 0 - 6.0-12.4 HB2 LYS 31 - HD3 ARG 23 far 0 96 0 - 6.1-19.7 HG13 ILE 129 - HD3 ARG 90 far 0 87 0 - 6.2-12.2 HG13 ILE 129 - HD2 ARG 90 far 0 86 0 - 6.2-12.1 HB2 LYS 19 - HD2 ARG 90 far 0 91 0 - 6.2-36.5 HB ILE 80 - HD2 ARG 90 far 0 75 0 - 6.4-7.0 HB2 LYS 24 - HD2 ARG 23 far 0 99 0 - 6.5-9.5 HB2 LYS 19 - HD3 ARG 23 far 0 100 0 - 6.6-13.0 HB2 LYS 26 - HD2 ARG 23 far 0 100 0 - 6.7-13.6 HB2 LYS 26 - HD3 ARG 23 far 0 100 0 - 6.9-14.4 HB ILE 80 - HD3 ARG 90 far 0 76 0 - 7.2-8.4 HG3 ARG 90 - HD3 ARG 23 far 0 76 0 - 8.0-29.3 HB2 ARG 23 - HD2 ARG 90 far 0 92 0 - 8.3-27.7 HB2 ARG 23 - HD3 ARG 90 far 0 93 0 - 8.4-28.6 HB ILE 80 - HD3 ARG 23 far 0 87 0 - 8.4-29.2 HG3 ARG 90 - HD2 ARG 23 far 0 76 0 - 8.8-29.4 HB ILE 80 - HD2 ARG 23 far 0 87 0 - 9.6-29.4 Violated in 0 structures by 0.00 A. Peak 464 from cnoeabs.peaks (1.82, 3.17, 43.21 ppm; 3.81 A): 4 out of 28 assignments used, quality = 1.00: * HB3 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-3.9 3.7=100 HB3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.6-4.2 3.7=100 HB VAL 93 + HD2 ARG 90 OK 62 91 75 90 3.4-6.2 2.1/11415=31...(13) HB VAL 93 + HD3 ARG 90 OK 41 92 50 89 2.9-5.9 2793/5.2=31...(13) HB3 LYS 19 - HD2 ARG 23 far 0 97 0 - 4.6-11.3 HB3 LYS 19 - HD3 ARG 23 far 0 97 0 - 4.9-11.8 HB2 LYS 86 - HD2 ARG 90 far 0 53 0 - 4.9-7.2 HB3 LYS 19 - HD3 ARG 90 far 0 87 0 - 4.9-36.4 HB3 LYS 24 - HD3 ARG 23 far 0 98 0 - 5.1-9.9 HB3 LYS 19 - HD2 ARG 90 far 0 86 0 - 5.5-35.3 HB2 LYS 86 - HD3 ARG 90 far 0 54 0 - 5.7-8.4 HB3 LYS 31 - HD2 ARG 23 far 0 97 0 - 6.2-20.8 HB3 LYS 24 - HD2 ARG 23 far 0 98 0 - 6.8-9.9 HB2 CYS 79 - HD3 ARG 23 far 0 90 0 - 6.8-26.0 HB3 LYS 31 - HD3 ARG 23 far 0 97 0 - 7.3-21.2 HB2 CYS 79 - HD2 ARG 23 far 0 90 0 - 7.4-26.1 HB3 LYS 26 - HD3 ARG 23 far 0 100 0 - 7.5-14.7 HB2 LYS 86 - HD3 ARG 23 far 0 63 0 - 8.0-29.8 HB2 LYS 36 - HD3 ARG 23 far 0 99 0 - 8.1-22.4 HB ILE 32 - HD3 ARG 23 far 0 100 0 - 8.2-19.5 HB3 LYS 26 - HD2 ARG 23 far 0 100 0 - 8.3-13.9 HB ILE 32 - HD2 ARG 23 far 0 100 0 - 8.6-19.0 HB3 LYS 24 - HD3 ARG 90 far 0 89 0 - 9.0-25.3 HB3 ARG 23 - HD2 ARG 90 far 0 92 0 - 9.2-27.6 HB2 LYS 36 - HD2 ARG 23 far 0 99 0 - 9.2-21.8 HB3 ARG 23 - HD3 ARG 90 far 0 93 0 - 9.3-28.6 HB2 LYS 86 - HD2 ARG 23 far 0 63 0 - 9.7-30.3 HB3 LYS 24 - HD2 ARG 90 far 0 88 0 - 10.0-24.0 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 4 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 HG13 ILE 37 - HD3 ARG 23 far 0 93 0 - 8.4-25.2 HG13 ILE 37 - HD2 ARG 90 far 0 82 0 - 9.8-12.3 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 21 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 2.2-3.0 3.0=100 HD3 LYS 19 - HD3 ARG 90 far 3 66 5 - 4.0-38.1 HD2 LYS 19 - HD3 ARG 90 far 0 66 0 - 4.8-38.3 HB3 LEU 22 - HD2 ARG 23 far 0 98 0 - 5.4-9.6 HD3 LYS 19 - HD2 ARG 90 far 0 65 0 - 5.5-37.2 HB3 LEU 22 - HD3 ARG 23 far 0 98 0 - 5.6-9.4 HG LEU 22 - HD3 ARG 23 far 0 98 0 - 6.1-10.7 HD2 LYS 19 - HD2 ARG 90 far 0 65 0 - 6.2-37.4 HG LEU 22 - HD2 ARG 23 far 0 98 0 - 6.6-10.8 HD3 LYS 19 - HD2 ARG 23 far 0 76 0 - 7.9-12.7 HD3 LYS 19 - HD3 ARG 23 far 0 76 0 - 8.3-13.7 HD2 LYS 19 - HD2 ARG 23 far 0 76 0 - 8.5-12.8 HD2 LYS 95 - HD3 ARG 90 far 0 54 0 - 8.5-12.2 HD2 LYS 19 - HD3 ARG 23 far 0 76 0 - 8.7-13.4 HG3 ARG 23 - HD2 ARG 90 far 0 92 0 - 8.8-26.7 HG LEU 70 - HD3 ARG 90 far 0 83 0 - 9.1-11.7 HG3 ARG 23 - HD3 ARG 90 far 0 93 0 - 9.2-27.7 HD2 LYS 95 - HD2 ARG 90 far 0 53 0 - 9.3-12.5 HG LEU 70 - HD3 ARG 23 far 0 93 0 - 9.9-32.1 HG LEU 70 - HD2 ARG 90 far 0 82 0 - 10.0-12.2 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 12 assignments used, quality = 1.00: H ARG 23 + HD2 ARG 23 OK 100 100 100 100 1.9-5.9 6.4=100 * H ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.3-5.9 6.4=100 H SER 33 - HD3 ARG 23 far 5 95 5 - 5.6-19.4 H SER 33 - HD2 ARG 23 far 5 95 5 - 6.7-18.8 H LYS 31 - HD2 ARG 23 far 0 96 0 - 7.6-19.2 H LEU 96 - HD3 ARG 90 far 0 51 0 - 7.8-10.4 H LYS 31 - HD3 ARG 23 far 0 96 0 - 8.2-20.1 H LEU 96 - HD2 ARG 90 far 0 50 0 - 8.5-11.3 H GLU 30 - HD3 ARG 23 far 0 89 0 - 9.0-19.9 H ALA 29 - HD2 ARG 23 far 0 100 0 - 9.3-19.5 H ALA 29 - HD3 ARG 23 far 0 100 0 - 9.9-20.1 H ARG 23 - HD2 ARG 90 far 0 92 0 - 9.9-27.6 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 43 assignments used, quality = 1.00: HA ARG 23 + HD2 ARG 23 OK 99 100 100 99 3.8-4.6 4.9=63, 423/1.8=31...(21) HA SER 74 + HD2 ARG 90 OK 70 91 100 77 3.1-4.7 11195/9659=28...(10) HA SER 74 + HD3 ARG 90 OK 65 92 95 74 2.8-5.1 11195/11384=28...(8) * HA ARG 23 + HD3 ARG 23 OK 54 100 55 99 3.8-5.2 4.9=63, 422/1.8=31...(21) HA ALA 21 - HD2 ARG 23 far 10 100 10 - 2.9-9.0 HA ALA 21 - HD3 ARG 23 far 10 100 10 - 4.3-8.1 HA LEU 22 - HD3 ARG 23 far 9 87 10 - 3.0-8.6 HA LEU 22 - HD2 ARG 23 far 9 87 10 - 3.1-8.6 HA PHE 87 - HD2 ARG 90 far 0 69 0 - 5.0-6.9 HA THR 25 - HD2 ARG 23 far 0 100 0 - 5.6-10.3 HA PHE 87 - HD3 ARG 90 far 0 70 0 - 5.6-7.0 HA LYS 19 - HD2 ARG 23 far 0 85 0 - 5.7-11.3 HA LYS 31 - HD2 ARG 23 far 0 98 0 - 5.8-20.9 HA LYS 26 - HD3 ARG 23 far 0 89 0 - 5.8-12.4 HA LYS 19 - HD3 ARG 23 far 0 85 0 - 6.2-11.9 HA ALA 21 - HD2 ARG 90 far 0 91 0 - 6.3-29.9 HA LYS 31 - HD3 ARG 23 far 0 98 0 - 6.5-21.8 HA LYS 26 - HD2 ARG 23 far 0 89 0 - 6.5-11.6 HA ALA 16 - HD3 ARG 90 far 0 88 0 - 6.6-39.8 HA THR 25 - HD3 ARG 23 far 0 100 0 - 6.7-10.7 HA THR 18 - HD2 ARG 23 far 0 99 0 - 7.0-11.3 HA LYS 19 - HD3 ARG 90 far 0 74 0 - 7.1-35.5 HA SER 74 - HD3 ARG 23 far 0 100 0 - 7.3-27.2 HA ALA 21 - HD3 ARG 90 far 0 92 0 - 7.4-30.7 HA ALA 16 - HD3 ARG 23 far 0 97 0 - 7.5-17.9 HA THR 18 - HD3 ARG 23 far 0 99 0 - 7.6-11.8 HA THR 18 - HD3 ARG 90 far 0 91 0 - 7.6-34.7 HA TYR 76 - HD2 ARG 90 far 0 58 0 - 7.7-8.8 HA ALA 16 - HD2 ARG 90 far 0 87 0 - 7.8-39.1 HA SER 74 - HD2 ARG 23 far 0 100 0 - 8.0-27.0 HA LYS 19 - HD2 ARG 90 far 0 73 0 - 8.0-34.5 HA TYR 76 - HD3 ARG 90 far 0 58 0 - 8.1-10.3 HA ALA 15 - HD3 ARG 90 far 0 93 0 - 8.1-39.9 HA THR 18 - HD2 ARG 90 far 0 91 0 - 8.3-33.9 HA TYR 76 - HD3 ARG 23 far 0 68 0 - 8.6-26.1 HA ALA 15 - HD3 ARG 23 far 0 100 0 - 8.6-19.0 HA ALA 12 - HD3 ARG 90 far 0 93 0 - 8.7-34.4 HA ALA 12 - HD2 ARG 23 far 0 100 0 - 8.9-27.7 HA ALA 12 - HD2 ARG 90 far 0 92 0 - 8.9-34.6 HA ALA 16 - HD2 ARG 23 far 0 97 0 - 9.0-17.0 HA ALA 15 - HD2 ARG 90 far 0 92 0 - 9.1-39.4 HA TYR 76 - HD2 ARG 23 far 0 68 0 - 9.4-25.9 HA ALA 12 - HD3 ARG 23 far 0 100 0 - 9.8-28.7 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 24 assignments used, quality = 1.00: HB2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-3.4 3.7=100 * HB2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.1-3.9 3.7=100 HG3 ARG 90 + HD3 ARG 90 OK 66 66 100 100 2.2-2.9 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 65 65 100 100 2.6-3.0 3.0=100 HB2 LYS 24 - HD3 ARG 23 far 0 99 0 - 5.1-9.4 HB2 LYS 19 - HD3 ARG 90 far 0 92 0 - 5.2-37.5 HB2 LYS 31 - HD2 ARG 23 far 0 96 0 - 5.2-19.4 HB2 LYS 19 - HD2 ARG 23 far 0 100 0 - 6.0-12.4 HB2 LYS 31 - HD3 ARG 23 far 0 96 0 - 6.1-19.7 HG13 ILE 129 - HD3 ARG 90 far 0 87 0 - 6.2-12.2 HG13 ILE 129 - HD2 ARG 90 far 0 86 0 - 6.2-12.1 HB2 LYS 19 - HD2 ARG 90 far 0 91 0 - 6.2-36.5 HB ILE 80 - HD2 ARG 90 far 0 75 0 - 6.4-7.0 HB2 LYS 24 - HD2 ARG 23 far 0 99 0 - 6.5-9.5 HB2 LYS 19 - HD3 ARG 23 far 0 100 0 - 6.6-13.0 HB2 LYS 26 - HD2 ARG 23 far 0 100 0 - 6.7-13.6 HB2 LYS 26 - HD3 ARG 23 far 0 100 0 - 6.9-14.4 HB ILE 80 - HD3 ARG 90 far 0 76 0 - 7.2-8.4 HG3 ARG 90 - HD3 ARG 23 far 0 76 0 - 8.0-29.3 HB2 ARG 23 - HD2 ARG 90 far 0 92 0 - 8.3-27.7 HB2 ARG 23 - HD3 ARG 90 far 0 93 0 - 8.4-28.6 HB ILE 80 - HD3 ARG 23 far 0 87 0 - 8.4-29.2 HG3 ARG 90 - HD2 ARG 23 far 0 76 0 - 8.8-29.4 HB ILE 80 - HD2 ARG 23 far 0 87 0 - 9.6-29.4 Violated in 0 structures by 0.00 A. Peak 473 from cnoeabs.peaks (1.82, 3.17, 43.21 ppm; 3.81 A): 4 out of 28 assignments used, quality = 1.00: HB3 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-3.9 3.7=100 * HB3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.6-4.2 3.7=100 HB VAL 93 + HD2 ARG 90 OK 62 91 75 90 3.4-6.2 2.1/11415=31...(13) HB VAL 93 + HD3 ARG 90 OK 41 92 50 89 2.9-5.9 2793/5.2=31...(13) HB3 LYS 19 - HD2 ARG 23 far 0 97 0 - 4.6-11.3 HB3 LYS 19 - HD3 ARG 23 far 0 97 0 - 4.9-11.8 HB2 LYS 86 - HD2 ARG 90 far 0 53 0 - 4.9-7.2 HB3 LYS 19 - HD3 ARG 90 far 0 87 0 - 4.9-36.4 HB3 LYS 24 - HD3 ARG 23 far 0 98 0 - 5.1-9.9 HB3 LYS 19 - HD2 ARG 90 far 0 86 0 - 5.5-35.3 HB2 LYS 86 - HD3 ARG 90 far 0 54 0 - 5.7-8.4 HB3 LYS 31 - HD2 ARG 23 far 0 97 0 - 6.2-20.8 HB3 LYS 24 - HD2 ARG 23 far 0 98 0 - 6.8-9.9 HB2 CYS 79 - HD3 ARG 23 far 0 90 0 - 6.8-26.0 HB3 LYS 31 - HD3 ARG 23 far 0 97 0 - 7.3-21.2 HB2 CYS 79 - HD2 ARG 23 far 0 90 0 - 7.4-26.1 HB3 LYS 26 - HD3 ARG 23 far 0 100 0 - 7.5-14.7 HB2 LYS 86 - HD3 ARG 23 far 0 63 0 - 8.0-29.8 HB2 LYS 36 - HD3 ARG 23 far 0 99 0 - 8.1-22.4 HB ILE 32 - HD3 ARG 23 far 0 100 0 - 8.2-19.5 HB3 LYS 26 - HD2 ARG 23 far 0 100 0 - 8.3-13.9 HB ILE 32 - HD2 ARG 23 far 0 100 0 - 8.6-19.0 HB3 LYS 24 - HD3 ARG 90 far 0 89 0 - 9.0-25.3 HB3 ARG 23 - HD2 ARG 90 far 0 92 0 - 9.2-27.6 HB2 LYS 36 - HD2 ARG 23 far 0 99 0 - 9.2-21.8 HB3 ARG 23 - HD3 ARG 90 far 0 93 0 - 9.3-28.6 HB2 LYS 86 - HD2 ARG 23 far 0 63 0 - 9.7-30.3 HB3 LYS 24 - HD2 ARG 90 far 0 88 0 - 10.0-24.0 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 4 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 HG13 ILE 37 - HD3 ARG 23 far 0 93 0 - 8.4-25.2 HG13 ILE 37 - HD2 ARG 90 far 0 82 0 - 9.8-12.3 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 21 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 2.2-3.0 3.0=100 HD3 LYS 19 - HD3 ARG 90 far 3 66 5 - 4.0-38.1 HD2 LYS 19 - HD3 ARG 90 far 0 66 0 - 4.8-38.3 HB3 LEU 22 - HD2 ARG 23 far 0 98 0 - 5.4-9.6 HD3 LYS 19 - HD2 ARG 90 far 0 65 0 - 5.5-37.2 HB3 LEU 22 - HD3 ARG 23 far 0 98 0 - 5.6-9.4 HG LEU 22 - HD3 ARG 23 far 0 98 0 - 6.1-10.7 HD2 LYS 19 - HD2 ARG 90 far 0 65 0 - 6.2-37.4 HG LEU 22 - HD2 ARG 23 far 0 98 0 - 6.6-10.8 HD3 LYS 19 - HD2 ARG 23 far 0 76 0 - 7.9-12.7 HD3 LYS 19 - HD3 ARG 23 far 0 76 0 - 8.3-13.7 HD2 LYS 19 - HD2 ARG 23 far 0 76 0 - 8.5-12.8 HD2 LYS 95 - HD3 ARG 90 far 0 54 0 - 8.5-12.2 HD2 LYS 19 - HD3 ARG 23 far 0 76 0 - 8.7-13.4 HG3 ARG 23 - HD2 ARG 90 far 0 92 0 - 8.8-26.7 HG LEU 70 - HD3 ARG 90 far 0 83 0 - 9.1-11.7 HG3 ARG 23 - HD3 ARG 90 far 0 93 0 - 9.2-27.7 HD2 LYS 95 - HD2 ARG 90 far 0 53 0 - 9.3-12.5 HG LEU 70 - HD3 ARG 23 far 0 93 0 - 9.9-32.1 HG LEU 70 - HD2 ARG 90 far 0 82 0 - 10.0-12.2 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; 2.88 A increased from 2.71 A): 1 out of 8 assignments used, quality = 0.99: * H LYS 24 + HA LYS 24 OK 99 100 100 99 2.7-2.9 3.0=93, 6220/3.0=43...(11) H LYS 26 - HA LYS 24 far 0 100 0 - 6.5-7.1 H GLN 27 - HA LYS 24 far 0 85 0 - 7.0-10.7 H ASP 35 - HA LYS 24 far 0 89 0 - 7.0-16.9 H HIS 3 - HA ASP 47 far 0 79 0 - 7.9-70.3 H THR 65 - HA ASN 59 far 0 88 0 - 7.9-8.5 H HIS 3 - HA GLN 134 far 0 45 0 - 9.2-75.6 H LYS 19 - HA LYS 24 far 0 83 0 - 9.4-13.7 Violated in 2 structures by 0.01 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): 1 out of 11 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 far 0 99 0 - 4.2-6.0 HB2 LYS 39 - HA GLN 134 far 0 41 0 - 5.0-6.8 HB2 LEU 43 - HA ASP 47 far 0 63 0 - 6.5-8.0 HB2 LYS 31 - HA LYS 24 far 0 100 0 - 6.7-18.9 HB2 LEU 43 - HA GLN 134 far 0 34 0 - 7.0-8.0 HG13 ILE 129 - HA ASP 47 far 0 84 0 - 8.1-11.7 HB2 LYS 19 - HA LYS 24 far 0 100 0 - 8.2-14.3 HB2 LYS 26 - HA LYS 24 far 0 100 0 - 8.3-9.7 HG LEU 100 - HA ASN 59 far 0 49 0 - 9.2-10.2 HB ILE 80 - HA LYS 24 far 0 97 0 - 9.9-25.9 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 12 assignments used, quality = 1.00: * HB3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.4-3.0 502=94, 2.9/513=35...(25) HB3 ARG 23 - HA LYS 24 far 0 98 0 - 4.6-5.5 HB3 ARG 135 - HA GLN 134 far 0 48 0 - 4.9-6.4 HB3 LEU 103 - HA ASN 59 far 0 71 0 - 6.2-7.2 HB2 CYS 79 - HA LYS 24 far 0 71 0 - 6.8-22.9 HB3 LYS 19 - HA LYS 24 far 0 100 0 - 7.0-13.4 HB3 LEU 123 - HA ASP 47 far 0 52 0 - 7.7-9.4 HB3 LEU 122 - HA ASN 59 far 0 73 0 - 7.9-10.3 HB3 LYS 31 - HA LYS 24 far 0 100 0 - 8.3-20.2 HB3 LYS 26 - HA LYS 24 far 0 100 0 - 9.0-10.1 HB ILE 32 - HA LYS 24 far 0 100 0 - 9.7-15.8 HB3 LEU 123 - HA ASN 59 far 0 61 0 - 9.8-10.6 Violated in 2 structures by 0.02 A. Peak 483 from cnoeabs.peaks (1.38, 4.33, 56.43 ppm; 3.54 A increased from 3.15 A): 1 out of 13 assignments used, quality = 1.00: * HG2 LYS 24 + HA LYS 24 OK 100 100 100 100 2.8-3.5 513=100, 2.9/482=69...(33) QB ALA 109 - HA ASN 59 far 5 90 5 - 3.9-5.3 QB ALA 28 - HA LYS 24 far 0 100 0 - 4.8-13.4 QB ALA 110 - HA ASN 59 far 0 94 0 - 6.4-8.2 HG3 LYS 26 - HA LYS 24 far 0 100 0 - 6.9-8.6 QB ALA 108 - HA ASN 59 far 0 93 0 - 7.4-8.5 HG3 LYS 31 - HA LYS 24 far 0 97 0 - 7.6-20.0 QB ALA 29 - HA LYS 24 far 0 100 0 - 8.4-15.1 HB2 LEU 42 - HA GLN 134 far 0 48 0 - 8.7-9.1 HG2 LYS 19 - HA LYS 24 far 0 92 0 - 8.9-13.3 HB2 LEU 42 - HA ASP 47 far 0 84 0 - 9.8-10.4 QB ALA 16 - HA LYS 24 far 0 71 0 - 9.9-16.6 HB3 LEU 100 - HA ASN 59 far 0 94 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 484 from cnoeabs.peaks (1.45, 4.33, 56.43 ppm; 3.92 A increased from 3.69 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.5-3.8 524=100, 1.8/513=86...(33) QB ALA 34 - HA LYS 24 far 0 65 0 - 5.7-14.1 HG2 LYS 31 - HA LYS 24 far 0 100 0 - 7.4-21.3 HG2 LYS 26 - HA LYS 24 far 0 95 0 - 7.5-10.3 HG13 ILE 32 - HA LYS 24 far 0 99 0 - 8.8-14.5 HG3 LYS 19 - HA LYS 24 far 0 100 0 - 8.9-14.1 Violated in 0 structures by 0.00 A. Peak 485 from cnoeabs.peaks (1.66, 4.33, 56.43 ppm; 3.87 A increased from 3.64 A): 3 out of 15 assignments used, quality = 1.00: HD3 LYS 24 + HA LYS 24 OK 90 100 90 100 2.0-4.5 3.5/482=67, 3.0/513=65...(29) * HD2 LYS 24 + HA LYS 24 OK 90 100 90 100 2.6-4.8 3.5/482=67, 3.0/513=65...(29) HG LEU 62 + HA ASN 59 OK 85 86 100 100 3.5-3.9 2.1/9388=72, 3.0/1880=50...(21) HD2 LYS 39 - HA GLN 134 poor 11 38 55 52 3.2-6.1 ~10606=19...(8) HG LEU 43 - HA GLN 134 far 0 37 0 - 5.4-6.2 HD2 LYS 26 - HA LYS 24 far 0 100 0 - 7.9-11.1 HG LEU 43 - HA ASP 47 far 0 67 0 - 8.4-9.0 HD3 LYS 26 - HA LYS 24 far 0 100 0 - 8.7-11.1 HD2 LYS 86 - HA LYS 24 far 0 100 0 - 9.2-23.8 HB2 LEU 123 - HA ASP 47 far 0 78 0 - 9.3-10.6 HB2 LEU 69 - HA ASP 47 far 0 81 0 - 9.4-9.7 QB ALA 88 - HA GLN 134 far 0 49 0 - 9.6-10.0 HD3 LYS 31 - HA LYS 24 far 0 100 0 - 9.8-20.6 HB2 LEU 123 - HA ASN 59 far 0 88 0 - 9.9-11.7 HD2 LYS 31 - HA LYS 24 far 0 100 0 - 9.9-21.9 Violated in 0 structures by 0.00 A. Peak 486 from cnoeabs.peaks (1.66, 4.33, 56.43 ppm; 3.87 A increased from 3.64 A): 3 out of 15 assignments used, quality = 1.00: HD2 LYS 24 + HA LYS 24 OK 90 100 90 100 2.6-4.8 3.5/482=67, 3.0/513=65...(29) HG LEU 62 + HA ASN 59 OK 87 87 100 100 3.5-3.9 2.1/9388=72, 3.0/1880=49...(21) * HD3 LYS 24 + HA LYS 24 OK 85 100 85 100 2.0-4.5 3.5/482=67, 3.0/513=65...(29) HD2 LYS 39 - HA GLN 134 poor 11 37 55 52 3.2-6.1 ~10606=19...(8) HG LEU 43 - HA GLN 134 far 0 38 0 - 5.4-6.2 HD2 LYS 26 - HA LYS 24 far 0 100 0 - 7.9-11.1 HG LEU 43 - HA ASP 47 far 0 69 0 - 8.4-9.0 HD3 LYS 26 - HA LYS 24 far 0 100 0 - 8.7-11.1 HD2 LYS 86 - HA LYS 24 far 0 100 0 - 9.2-23.8 HB2 LEU 123 - HA ASP 47 far 0 79 0 - 9.3-10.6 HB2 LEU 69 - HA ASP 47 far 0 80 0 - 9.4-9.7 QB ALA 88 - HA GLN 134 far 0 48 0 - 9.6-10.0 HD3 LYS 31 - HA LYS 24 far 0 100 0 - 9.8-20.6 HB2 LEU 123 - HA ASN 59 far 0 89 0 - 9.9-11.7 HD2 LYS 31 - HA LYS 24 far 0 100 0 - 9.9-21.9 Violated in 0 structures by 0.00 A. Peak 489 from cnoeabs.peaks (8.10, 4.33, 56.43 ppm; 3.60 A increased from 3.39 A): 1 out of 7 assignments used, quality = 1.00: * H THR 25 + HA LYS 24 OK 100 100 100 100 3.5-3.6 3.6=100 H ALA 109 - HA ASN 59 far 0 73 0 - 4.8-6.9 HD22 ASN 85 - HA GLN 134 far 0 33 0 - 5.8-9.7 H ALA 108 - HA ASN 59 far 0 69 0 - 6.1-7.6 H ASN 120 - HA ASN 59 far 0 59 0 - 8.0-9.2 H LEU 103 - HA ASN 59 far 0 71 0 - 8.2-9.2 H ASN 121 - HA ASN 59 far 0 77 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 490 from cnoeabs.peaks (8.37, 1.75, 32.73 ppm; 3.41 A): 4 out of 19 assignments used, quality = 1.00: * H LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.4-3.6 6220=100, 6214/1.8=66...(23) H LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.5-3.8 6250=100, 6251/1.8=63...(30) H LYS 19 + HB2 LYS 19 OK 80 81 100 99 2.6-2.9 6149=74, 6151/3.0=36...(35) H GLN 27 + HB2 LYS 26 OK 78 84 95 98 2.0-4.3 6262=74, 6263/1.8=58...(10) H LYS 24 - HB2 LYS 31 far 0 99 0 - 4.2-17.9 H LYS 26 - HB2 LYS 31 far 0 99 0 - 5.1-13.2 H GLN 27 - HB2 LYS 31 far 0 82 0 - 5.3-8.9 H ASP 35 - HB2 LYS 26 far 0 88 0 - 5.9-10.8 H LYS 26 - HB2 LYS 24 far 0 100 0 - 6.0-7.1 H LYS 24 - HB2 LYS 19 far 0 100 0 - 6.2-12.3 H GLN 27 - HB2 LYS 24 far 0 85 0 - 6.5-10.7 H LYS 19 - HB2 LYS 24 far 0 83 0 - 6.7-14.6 H LYS 24 - HB2 LYS 26 far 0 100 0 - 7.9-9.4 H ASP 35 - HB2 LYS 24 far 0 89 0 - 8.5-16.1 H LYS 19 - HB2 LYS 31 far 0 80 0 - 8.8-24.2 H LYS 26 - HB2 LYS 19 far 0 99 0 - 9.1-18.2 H ASP 35 - HB2 LYS 31 far 0 86 0 - 9.3-9.8 H GLY 14 - HB2 LYS 19 far 0 99 0 - 9.5-17.8 H GLN 27 - HB2 LYS 19 far 0 83 0 - 9.7-19.5 Violated in 0 structures by 0.00 A. Peak 491 from cnoeabs.peaks (4.33, 1.75, 32.73 ppm; 3.10 A increased from 2.92 A): 1 out of 13 assignments used, quality = 1.00: * HA LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLN 134 - HB2 LYS 39 far 0 41 0 - 5.0-6.8 HA2 GLY 75 - HB2 LYS 19 far 0 87 0 - 6.5-30.9 HA PRO 81 - HB2 LYS 19 far 0 99 0 - 6.6-36.0 HA LYS 24 - HB2 LYS 31 far 0 99 0 - 6.7-18.9 HA PRO 81 - HB2 LYS 39 far 0 54 0 - 7.5-10.8 HA TYR 76 - HB2 LYS 39 far 0 35 0 - 7.8-9.7 HA LYS 24 - HB2 LYS 19 far 0 100 0 - 8.2-14.3 HA LYS 24 - HB2 LYS 26 far 0 100 0 - 8.3-9.7 HA2 GLY 75 - HB2 LYS 26 far 0 88 0 - 8.5-14.8 HA ASP 131 - HB2 LYS 39 far 0 29 0 - 9.0-11.3 HA2 GLY 75 - HB2 LYS 24 far 0 89 0 - 9.1-18.2 HA TYR 76 - HB2 LYS 19 far 0 74 0 - 9.9-33.3 Violated in 0 structures by 0.00 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 28 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 26 - HB2 LYS 31 far 5 98 5 - 2.8-9.8 HB3 LYS 31 - HB2 LYS 26 far 0 100 0 - 3.3-12.5 HB3 LYS 19 - HB2 LYS 24 far 0 100 0 - 4.2-14.4 HB3 ARG 23 - HB2 LYS 31 far 0 96 0 - 5.4-19.6 HB ILE 32 - HB2 LYS 26 far 0 99 0 - 5.4-8.5 HB ILE 32 - HB2 LYS 31 far 0 98 0 - 6.0-6.4 HB3 ARG 23 - HB2 LYS 24 far 0 98 0 - 6.1-7.3 HB3 LYS 19 - HB2 LYS 31 far 0 99 0 - 6.3-22.1 HB3 ARG 23 - HB2 LYS 26 far 0 97 0 - 6.4-12.2 HB3 LYS 31 - HB2 LYS 19 far 0 99 0 - 6.5-25.3 HB3 ARG 23 - HB2 LYS 19 far 0 97 0 - 6.5-12.1 HB3 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.6-15.6 HB2 CYS 79 - HB2 LYS 39 far 0 32 0 - 6.8-9.6 HB2 CYS 79 - HB2 LYS 19 far 0 69 0 - 7.0-32.6 HB3 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.9-19.1 HB3 LYS 24 - HB2 LYS 31 far 0 99 0 - 7.9-18.7 HB3 LYS 24 - HB2 LYS 26 far 0 100 0 - 8.1-9.9 HB2 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.3-14.6 HB3 ARG 135 - HB2 LYS 39 far 0 54 0 - 8.3-11.2 HB3 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.6-10.2 HB2 LYS 36 - HB2 LYS 31 far 0 99 0 - 9.1-11.4 HB2 CYS 79 - HB2 LYS 24 far 0 71 0 - 9.4-22.1 HB2 LYS 86 - HB2 LYS 19 far 0 83 0 - 9.5-37.3 HB3 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.7-17.7 Violated in 0 structures by 0.00 A. Peak 494 from cnoeabs.peaks (1.38, 1.75, 32.73 ppm; 3.45 A): 4 out of 28 assignments used, quality = 1.00: * HG2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 31 + HB2 LYS 31 OK 94 94 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HB2 LYS 19 OK 90 90 100 100 2.9-2.9 3.0=100 HG3 LYS 26 - HB2 LYS 31 far 5 99 5 - 4.0-11.8 QB ALA 28 - HB2 LYS 26 far 0 99 0 - 4.3-7.9 QB ALA 29 - HB2 LYS 26 far 0 100 0 - 4.8-8.9 HG3 LYS 31 - HB2 LYS 26 far 0 96 0 - 5.1-12.9 HB2 LEU 42 - HB2 LYS 39 far 0 54 0 - 5.3-6.0 QB ALA 15 - HB2 LYS 19 far 0 99 0 - 5.5-12.4 QB ALA 16 - HB2 LYS 19 far 0 69 0 - 5.7-9.3 QB ALA 12 - HB2 LYS 31 far 0 80 0 - 5.8-31.3 QB ALA 28 - HB2 LYS 24 far 0 100 0 - 5.9-13.1 HG3 LYS 31 - HB2 LYS 19 far 0 95 0 - 6.0-26.3 QB ALA 28 - HB2 LYS 31 far 0 98 0 - 6.3-7.9 HG2 LYS 19 - HB2 LYS 24 far 0 92 0 - 6.4-14.3 HG2 LYS 24 - HB2 LYS 31 far 0 99 0 - 6.6-18.9 HG2 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.7-13.0 QB ALA 16 - HB2 LYS 31 far 0 68 0 - 6.8-23.1 QB ALA 29 - HB2 LYS 31 far 0 99 0 - 7.0-7.5 HG3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.1-8.9 HG2 LYS 19 - HB2 LYS 31 far 0 89 0 - 7.6-22.5 QB ALA 12 - HB2 LYS 19 far 0 81 0 - 7.7-19.6 HG3 LYS 31 - HB2 LYS 24 far 0 97 0 - 7.7-20.6 QB ALA 29 - HB2 LYS 24 far 0 100 0 - 7.9-14.1 QB ALA 15 - HB2 LYS 24 far 0 100 0 - 9.2-18.3 HG2 LYS 24 - HB2 LYS 26 far 0 100 0 - 9.2-11.0 HG3 LYS 26 - HB2 LYS 19 far 0 99 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 495 from cnoeabs.peaks (1.45, 1.75, 32.73 ppm; 3.89 A): 4 out of 24 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 2.7-2.8 3.0=100 HG2 LYS 31 + HB2 LYS 31 OK 98 98 100 100 2.2-2.9 3.0=100 HG2 LYS 26 + HB2 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HG2 LYS 26 - HB2 LYS 31 poor 18 92 20 - 2.4-11.6 HG2 LYS 31 - HB2 LYS 26 far 0 99 0 - 4.5-14.0 HG13 ILE 32 - HB2 LYS 26 far 0 98 0 - 4.5-7.0 HG13 ILE 32 - HB2 LYS 31 far 0 97 0 - 4.6-6.1 QB ALA 34 - HB2 LYS 26 far 0 64 0 - 5.3-9.6 HG3 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.1-14.5 HG3 LYS 19 - HB2 LYS 24 far 0 100 0 - 6.3-15.3 HG3 LYS 19 - HB2 LYS 31 far 0 99 0 - 6.6-22.5 QB ALA 34 - HB2 LYS 19 far 0 64 0 - 7.0-22.9 HG2 LYS 31 - HB2 LYS 19 far 0 99 0 - 7.2-24.6 HG2 LYS 26 - HB2 LYS 24 far 0 95 0 - 7.3-9.8 HG3 LYS 24 - HB2 LYS 31 far 0 99 0 - 7.4-19.6 HG3 LYS 86 - HB2 LYS 19 far 0 58 0 - 7.5-36.2 QB ALA 34 - HB2 LYS 24 far 0 65 0 - 7.6-13.6 QB ALA 34 - HB2 LYS 31 far 0 63 0 - 8.0-8.8 HG2 LYS 31 - HB2 LYS 24 far 0 100 0 - 8.1-20.1 HG2 LYS 86 - HB2 LYS 19 far 0 69 0 - 8.6-36.3 HG13 ILE 32 - HB2 LYS 24 far 0 99 0 - 9.1-14.3 HG3 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.5-17.7 HG3 LYS 24 - HB2 LYS 26 far 0 100 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 496 from cnoeabs.peaks (1.66, 1.75, 32.73 ppm; 4.35 A): 10 out of 34 assignments used, quality = 1.00: * HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.6-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.6-3.7 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.1-4.0 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.3-3.9 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 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 HD3 LYS 19 + HB2 LYS 19 OK 94 94 100 100 2.0-3.5 3.9=100 HD2 LYS 19 + HB2 LYS 19 OK 94 94 100 100 2.2-3.2 3.9=100 HD2 LYS 39 + HB2 LYS 39 OK 43 43 100 100 2.6-3.7 3.6=100 HG LEU 43 + HB2 LYS 39 OK 29 41 70 99 3.4-5.3 ~11901=46, ~11073=37...(23) HD2 LYS 26 - HB2 LYS 31 poor 20 99 20 - 3.7-10.0 HD3 LYS 26 - HB2 LYS 31 far 15 99 15 - 2.1-9.6 HD3 LYS 31 - HB2 LYS 19 far 5 99 5 - 4.6-25.0 HD2 LYS 31 - HB2 LYS 19 far 0 100 0 - 5.2-25.0 HD2 LYS 31 - HB2 LYS 26 far 0 100 0 - 5.4-13.3 HD3 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.1-13.8 HD2 LYS 86 - HB2 LYS 19 far 0 99 0 - 6.5-34.1 HD3 LYS 86 - HB2 LYS 19 far 0 99 0 - 7.1-35.0 HD2 LYS 19 - HB2 LYS 24 far 0 96 0 - 7.3-16.3 HD3 LYS 24 - HB2 LYS 19 far 0 99 0 - 7.9-15.5 HD3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.9-11.0 HD3 LYS 19 - HB2 LYS 31 far 0 93 0 - 8.2-24.6 HD2 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.2-15.2 HD3 LYS 19 - HB2 LYS 24 far 0 96 0 - 8.2-16.3 HD2 LYS 36 - HB2 LYS 31 far 0 96 0 - 8.4-9.8 HD3 LYS 24 - HB2 LYS 26 far 0 100 0 - 8.4-11.9 HD2 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.6-11.1 HD2 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.8-21.3 HD2 LYS 19 - HB2 LYS 31 far 0 93 0 - 9.2-25.0 HD3 LYS 24 - HB2 LYS 31 far 0 99 0 - 9.4-20.4 HD2 LYS 24 - HB2 LYS 26 far 0 100 0 - 9.6-12.5 HD3 LYS 36 - HB2 LYS 31 far 0 96 0 - 9.7-11.4 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.2 HD2 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 497 from cnoeabs.peaks (1.66, 1.75, 32.73 ppm; 4.35 A): 10 out of 34 assignments used, quality = 1.00: * HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.6-3.7 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.6-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.1-4.0 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.3-3.9 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 2.1-4.2 3.5=100 HD3 LYS 19 + HB2 LYS 19 OK 95 95 100 100 2.0-3.5 3.9=100 HD2 LYS 19 + HB2 LYS 19 OK 95 95 100 100 2.2-3.2 3.9=100 HD2 LYS 39 + HB2 LYS 39 OK 41 41 100 100 2.6-3.7 3.6=100 HG LEU 43 + HB2 LYS 39 OK 30 43 70 99 3.4-5.3 ~11901=46, ~11073=37...(23) HD2 LYS 26 - HB2 LYS 31 poor 20 99 20 - 3.7-10.0 HD3 LYS 26 - HB2 LYS 31 far 15 99 15 - 2.1-9.6 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.6-25.0 HD2 LYS 31 - HB2 LYS 19 far 0 99 0 - 5.2-25.0 HD2 LYS 31 - HB2 LYS 26 far 0 100 0 - 5.4-13.3 HD3 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.1-13.8 HD2 LYS 86 - HB2 LYS 19 far 0 99 0 - 6.5-34.1 HD3 LYS 86 - HB2 LYS 19 far 0 99 0 - 7.1-35.0 HD2 LYS 19 - HB2 LYS 24 far 0 97 0 - 7.3-16.3 HD3 LYS 24 - HB2 LYS 19 far 0 100 0 - 7.9-15.5 HD3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.9-11.0 HD3 LYS 19 - HB2 LYS 31 far 0 94 0 - 8.2-24.6 HD2 LYS 24 - HB2 LYS 19 far 0 99 0 - 8.2-15.2 HD3 LYS 19 - HB2 LYS 24 far 0 97 0 - 8.2-16.3 HD2 LYS 36 - HB2 LYS 31 far 0 95 0 - 8.4-9.8 HD3 LYS 24 - HB2 LYS 26 far 0 100 0 - 8.4-11.9 HD2 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.6-11.1 HD2 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.8-21.3 HD2 LYS 19 - HB2 LYS 31 far 0 94 0 - 9.2-25.0 HD3 LYS 24 - HB2 LYS 31 far 0 99 0 - 9.4-20.4 HD2 LYS 24 - HB2 LYS 26 far 0 100 0 - 9.6-12.5 HD3 LYS 36 - HB2 LYS 31 far 0 95 0 - 9.7-11.4 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.2 HD2 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 498 from cnoeabs.peaks (2.96, 1.75, 32.73 ppm; 6.80 A): 10 out of 31 assignments used, quality = 1.00: * HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 3.6-5.5 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.2-5.4 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.9-4.6 5.1=100 HE3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.5-4.5 5.1=100 HE2 LYS 31 + HB2 LYS 31 OK 96 96 100 100 2.4-5.5 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 95 95 100 100 3.5-5.0 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 95 95 100 100 4.2-5.5 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 93 93 100 100 3.0-5.1 4.8=100 HE2 LYS 39 + HB2 LYS 39 OK 33 33 100 100 2.1-4.7 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 28 28 100 100 3.6-5.2 4.9=100 HE3 LYS 24 - HB2 LYS 19 far 5 99 5 - 6.8-15.7 HE2 LYS 31 - HB2 LYS 26 far 5 97 5 - 6.8-15.8 HE2 LYS 31 - HB2 LYS 19 far 5 97 5 - 7.3-27.4 HE3 LYS 31 - HB2 LYS 26 far 5 95 5 - 6.6-15.7 HE3 LYS 31 - HB2 LYS 19 far 5 94 5 - 6.4-27.0 HE3 LYS 26 - HB2 LYS 31 lone 2 93 25 8 4.4-12.1 6337/6331=2, 3.0/294=1 HE2 LYS 26 - HB2 LYS 31 lone 2 93 25 8 4.9-11.4 6338/6331=2, 3.0/294=1 HE3 LYS 26 - HB2 LYS 24 far 0 96 0 - 7.4-9.9 HE3 LYS 19 - HB2 LYS 24 far 0 98 0 - 7.5-17.7 HE2 LYS 24 - HB2 LYS 19 far 0 100 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.8-17.5 HE3 LYS 19 - HB2 LYS 31 far 0 96 0 - 7.9-25.8 HE3 LYS 86 - HB2 LYS 19 far 0 99 0 - 8.3-35.8 HE2 LYS 26 - HB2 LYS 24 far 0 96 0 - 8.3-10.9 HE2 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.4-21.1 HE2 LYS 19 - HB2 LYS 31 far 0 99 0 - 8.4-24.2 HE3 LYS 36 - HB2 LYS 31 far 0 98 0 - 8.4-11.9 HE3 LYS 26 - HB2 LYS 19 far 0 94 0 - 8.5-20.9 HE2 LYS 36 - HB2 LYS 31 far 0 99 0 - 8.8-11.9 HE2 LYS 26 - HB2 LYS 19 far 0 94 0 - 9.3-21.9 HE3 LYS 24 - HB2 LYS 31 far 0 98 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 499 from cnoeabs.peaks (2.96, 1.75, 32.73 ppm; 6.80 A): 8 out of 29 assignments used, quality = 1.00: * HE3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.2-5.4 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 3.6-5.5 5.1=100 HE3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.5-4.5 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.9-4.6 5.1=100 HE3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 3.5-5.0 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 99 99 100 100 4.2-5.5 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.4-5.5 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 98 98 100 100 3.0-5.1 4.8=100 HE2 LYS 31 - HB2 LYS 26 far 5 100 5 - 6.8-15.8 HE3 LYS 24 - HB2 LYS 19 far 5 100 5 - 6.8-15.7 HE2 LYS 31 - HB2 LYS 19 far 5 99 5 - 7.3-27.4 HE3 LYS 31 - HB2 LYS 26 far 5 99 5 - 6.6-15.7 HE3 LYS 31 - HB2 LYS 19 far 5 99 5 - 6.4-27.0 HE3 LYS 26 - HB2 LYS 31 lone 2 98 25 8 4.4-12.1 6337/6331=2, 3.0/294=1 HE2 LYS 26 - HB2 LYS 31 lone 2 98 25 8 4.9-11.4 6338/6331=2, 3.0/294=1 HE3 LYS 26 - HB2 LYS 24 far 0 99 0 - 7.4-9.9 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.5-17.7 HE2 LYS 24 - HB2 LYS 19 far 0 99 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.8-17.5 HE3 LYS 19 - HB2 LYS 31 far 0 99 0 - 7.9-25.8 HE3 LYS 86 - HB2 LYS 19 far 0 99 0 - 8.3-35.8 HE2 LYS 26 - HB2 LYS 24 far 0 99 0 - 8.3-10.9 HE2 LYS 24 - HB2 LYS 31 far 0 98 0 - 8.4-21.1 HE2 LYS 19 - HB2 LYS 31 far 0 99 0 - 8.4-24.2 HE3 LYS 36 - HB2 LYS 31 far 0 99 0 - 8.4-11.9 HE3 LYS 26 - HB2 LYS 19 far 0 99 0 - 8.5-20.9 HE2 LYS 36 - HB2 LYS 31 far 0 98 0 - 8.8-11.9 HE2 LYS 26 - HB2 LYS 19 far 0 99 0 - 9.3-21.9 HE3 LYS 24 - HB2 LYS 31 far 0 99 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 500 from cnoeabs.peaks (8.10, 1.75, 32.73 ppm; 4.02 A): 1 out of 5 assignments used, quality = 1.00: * H THR 25 + HB2 LYS 24 OK 100 100 100 100 1.8-3.4 6232=100, 6233/1.8=92...(12) H THR 25 - HB2 LYS 19 far 0 100 0 - 5.5-15.2 H THR 25 - HB2 LYS 26 far 0 100 0 - 5.8-7.4 H THR 25 - HB2 LYS 31 far 0 99 0 - 6.0-15.7 HD22 ASN 85 - HB2 LYS 39 far 0 37 0 - 7.4-13.1 Violated in 0 structures by 0.00 A. Peak 501 from cnoeabs.peaks (8.37, 1.81, 32.73 ppm; 3.55 A): 5 out of 22 assignments used, quality = 1.00: * H LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.7-3.9 6214=92, 6220/1.8=84...(18) H LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.8-3.7 6250/1.8=93, 6251=86...(28) H LYS 19 + HB3 LYS 19 OK 81 82 100 100 3.5-3.6 3.9=73, 6149/1.8=66...(34) H GLN 27 + HB3 LYS 26 OK 80 82 100 98 1.8-3.9 6263=77, 6262/1.8=58...(14) H LYS 86 + HB2 LYS 86 OK 28 30 100 94 2.3-3.5 4.0=71, 7140/1.8=30...(14) H ASP 35 - HB2 LYS 36 far 0 82 0 - 4.3-5.8 H LYS 24 - HB3 LYS 19 far 0 100 0 - 4.8-11.3 H LYS 24 - HB3 LYS 31 far 0 100 0 - 5.6-19.3 H LYS 26 - HB3 LYS 31 far 0 100 0 - 5.8-14.3 H LYS 26 - HB3 LYS 24 far 0 100 0 - 6.0-7.0 H GLN 27 - HB3 LYS 31 far 0 83 0 - 6.2-10.0 H ASP 35 - HB3 LYS 26 far 0 86 0 - 6.5-9.6 H GLN 27 - HB3 LYS 24 far 0 85 0 - 7.3-10.3 H LYS 26 - HB3 LYS 19 far 0 100 0 - 7.6-16.8 H LYS 19 - HB3 LYS 31 far 0 81 0 - 7.8-25.7 H ASP 35 - HB3 LYS 24 far 0 89 0 - 7.8-16.9 H GLY 14 - HB2 LYS 86 far 0 61 0 - 7.9-40.3 H GLN 27 - HB3 LYS 19 far 0 84 0 - 8.1-18.0 H LYS 19 - HB3 LYS 24 far 0 83 0 - 8.3-15.4 H LYS 24 - HB3 LYS 26 far 0 99 0 - 8.5-9.6 H GLY 14 - HB3 LYS 19 far 0 100 0 - 8.9-18.1 H LYS 26 - HB2 LYS 36 far 0 96 0 - 9.6-14.7 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 13 assignments used, quality = 1.00: * HA LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.4-3.0 482=100, 513/2.9=36...(26) HA PRO 81 - HB3 LYS 19 far 0 100 0 - 5.7-34.6 HA2 GLY 75 - HB3 LYS 19 far 0 88 0 - 6.6-29.6 HA LYS 24 - HB3 LYS 19 far 0 100 0 - 7.0-13.4 HA PRO 81 - HB2 LYS 86 far 0 61 0 - 7.0-9.8 HA LYS 24 - HB3 LYS 31 far 0 100 0 - 8.3-20.2 HA TYR 76 - HB2 LYS 36 far 0 69 0 - 8.3-10.4 HA2 GLY 75 - HB2 LYS 36 far 0 82 0 - 8.5-11.4 HA2 GLY 75 - HB3 LYS 24 far 0 89 0 - 8.5-19.4 HA TYR 76 - HB2 LYS 86 far 0 39 0 - 8.9-10.3 HA LYS 24 - HB3 LYS 26 far 0 99 0 - 9.0-10.1 HA2 GLY 75 - HB3 LYS 26 far 0 86 0 - 9.3-13.9 HA TYR 76 - HB3 LYS 19 far 0 75 0 - 9.6-31.8 Violated in 2 structures by 0.02 A. Peak 503 from cnoeabs.peaks (1.75, 1.81, 32.73 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 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 far 6 57 10 - 3.0-5.2 HB2 LYS 31 - HB3 LYS 26 far 5 98 5 - 2.8-9.8 HB2 LYS 26 - HB3 LYS 31 far 0 99 0 - 3.3-12.5 HB2 ARG 23 - HB3 LYS 19 far 0 98 0 - 4.0-9.5 HB2 LYS 24 - HB3 LYS 19 far 0 100 0 - 4.2-14.4 HG3 ARG 90 - HB2 LYS 86 far 0 51 0 - 4.4-7.4 HB2 ARG 23 - HB3 LYS 31 far 0 98 0 - 5.4-20.0 HB2 LYS 31 - HB3 LYS 19 far 0 99 0 - 6.3-22.1 HB2 ARG 23 - HB3 LYS 24 far 0 99 0 - 6.3-7.9 HB2 LYS 19 - HB3 LYS 31 far 0 99 0 - 6.5-25.3 HB2 LYS 19 - HB3 LYS 24 far 0 100 0 - 6.6-15.6 HG3 ARG 90 - HB3 LYS 19 far 0 91 0 - 7.1-35.7 HB2 LYS 24 - HB3 LYS 31 far 0 100 0 - 7.9-19.1 HB2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.9-18.7 HB2 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.1-9.9 HB ILE 80 - HB3 LYS 19 far 0 97 0 - 8.3-34.8 HB2 LYS 26 - HB2 LYS 36 far 0 96 0 - 8.3-14.6 HB2 LYS 24 - HB3 LYS 26 far 0 99 0 - 8.6-10.2 HB2 ARG 23 - HB3 LYS 26 far 0 97 0 - 8.8-12.3 HB2 LYS 31 - HB2 LYS 36 far 0 96 0 - 9.1-11.4 HB2 ARG 23 - HB2 LYS 86 far 0 58 0 - 9.5-29.3 HB2 LYS 19 - HB2 LYS 86 far 0 61 0 - 9.5-37.3 HB2 LYS 26 - HB3 LYS 19 far 0 100 0 - 9.7-17.7 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): 5 out of 35 assignments used, quality = 1.00: * HG2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.5-3.0 3.0=100 HG2 LYS 36 + HB2 LYS 36 OK 96 96 100 100 2.7-2.9 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 2.7-2.8 3.0=100 QB ALA 28 - HB3 LYS 26 far 10 98 10 - 3.7-6.5 QB ALA 29 - HB3 LYS 26 far 5 99 5 - 4.0-7.6 HG3 LYS 31 - HB3 LYS 19 far 0 96 0 - 4.5-24.5 QB ALA 29 - HB2 LYS 36 far 0 96 0 - 5.0-8.1 HG3 LYS 31 - HB3 LYS 26 far 0 94 0 - 5.1-11.5 QB ALA 15 - HB3 LYS 19 far 0 100 0 - 5.1-12.8 HG3 LYS 26 - HB3 LYS 31 far 0 99 0 - 5.2-13.1 HG2 LYS 24 - HB3 LYS 19 far 0 100 0 - 5.9-12.2 QB ALA 12 - HB3 LYS 31 far 0 81 0 - 6.1-32.3 QB ALA 28 - HB3 LYS 31 far 0 99 0 - 6.3-7.6 QB ALA 28 - HB3 LYS 24 far 0 100 0 - 6.4-12.7 QB ALA 16 - HB3 LYS 31 far 0 69 0 - 6.4-24.2 QB ALA 16 - HB3 LYS 19 far 0 70 0 - 6.6-10.0 QB ALA 15 - HB2 LYS 86 far 0 61 0 - 6.7-33.6 HG2 LYS 19 - HB3 LYS 31 far 0 90 0 - 6.7-24.1 QB ALA 12 - HB3 LYS 19 far 0 82 0 - 6.9-20.3 QB ALA 29 - HB3 LYS 31 far 0 100 0 - 7.0-7.7 HG3 LYS 31 - HB2 LYS 36 far 0 91 0 - 7.5-12.4 HG3 LYS 26 - HB3 LYS 24 far 0 100 0 - 7.5-8.6 QB ALA 12 - HB2 LYS 86 far 0 44 0 - 7.7-34.0 HG2 LYS 24 - HB3 LYS 31 far 0 100 0 - 7.8-20.3 QB ALA 29 - HB3 LYS 24 far 0 100 0 - 7.8-14.9 HG3 LYS 26 - HB3 LYS 19 far 0 100 0 - 7.9-18.0 HG2 LYS 19 - HB3 LYS 24 far 0 92 0 - 8.1-14.8 HG3 LYS 26 - HB2 LYS 36 far 0 96 0 - 8.6-13.7 HG2 LYS 19 - HB2 LYS 86 far 0 51 0 - 8.6-36.4 HG3 LYS 31 - HB3 LYS 24 far 0 97 0 - 8.9-20.1 QB ALA 16 - HB2 LYS 86 far 0 36 0 - 8.9-35.5 QB ALA 12 - HB2 LYS 36 far 0 76 0 - 9.6-35.7 QB ALA 28 - HB2 LYS 36 far 0 96 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 506 from cnoeabs.peaks (1.45, 1.81, 32.73 ppm; 3.94 A): 8 out of 33 assignments used, quality = 1.00: * HG3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.4-2.7 2.9=100 HG3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.2-2.2 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.3-3.0 3.0=100 HG2 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.3-3.0 3.0=100 HG3 LYS 36 + HB2 LYS 36 OK 74 74 100 100 2.2-2.9 3.0=100 HG13 ILE 32 + HB3 LYS 26 OK 52 97 60 89 3.2-5.7 1.8/913=28, 2.1/10751=27...(22) HG2 LYS 86 + HB2 LYS 86 OK 36 36 100 100 2.3-2.7 3.0=100 HG3 LYS 86 + HB2 LYS 86 OK 30 30 100 100 2.9-3.0 3.0=100 HG2 LYS 26 - HB3 LYS 31 far 9 93 10 - 3.5-12.8 HG2 LYS 31 - HB3 LYS 26 far 0 98 0 - 5.1-12.2 QB ALA 34 - HB2 LYS 36 far 0 59 0 - 5.4-6.8 HG13 ILE 32 - HB3 LYS 31 far 0 98 0 - 5.5-6.8 HG2 LYS 31 - HB3 LYS 19 far 0 99 0 - 5.6-22.9 HG3 LYS 24 - HB3 LYS 19 far 0 100 0 - 5.6-13.8 QB ALA 34 - HB3 LYS 26 far 0 63 0 - 6.0-8.6 HG3 LYS 19 - HB3 LYS 31 far 0 99 0 - 6.3-24.1 QB ALA 34 - HB3 LYS 19 far 0 64 0 - 6.8-21.7 QB ALA 34 - HB3 LYS 24 far 0 65 0 - 7.1-14.4 HG13 ILE 32 - HB2 LYS 36 far 0 94 0 - 7.2-9.3 HG2 LYS 26 - HB3 LYS 24 far 0 95 0 - 7.5-10.2 HG3 LYS 19 - HB2 LYS 86 far 0 61 0 - 7.6-37.3 HG3 LYS 19 - HB3 LYS 24 far 0 100 0 - 7.9-15.5 HG3 LYS 86 - HB3 LYS 19 far 0 59 0 - 8.1-35.0 HG2 LYS 86 - HB3 LYS 19 far 0 70 0 - 8.2-35.0 HG2 LYS 26 - HB2 LYS 36 far 0 89 0 - 8.3-12.6 HG3 LYS 24 - HB3 LYS 31 far 0 100 0 - 8.8-21.0 HG2 LYS 31 - HB2 LYS 36 far 0 96 0 - 9.0-11.1 QB ALA 92 - HB2 LYS 86 far 0 50 0 - 9.0-9.9 HG2 LYS 31 - HB3 LYS 24 far 0 100 0 - 9.1-21.2 QB ALA 34 - HB3 LYS 31 far 0 64 0 - 9.3-10.0 HG2 LYS 26 - HB3 LYS 19 far 0 94 0 - 9.5-18.7 HG3 LYS 19 - HB3 LYS 26 far 0 99 0 - 9.9-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 99 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 507 from cnoeabs.peaks (1.66, 1.81, 32.73 ppm; 3.94 A): 12 out of 43 assignments used, quality = 1.00: HD3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.1-3.7 3.5=100 * HD2 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 2.0-3.8 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-4.1 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.0-3.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.0-3.3 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 94 95 100 100 3.3-4.2 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 94 95 100 100 3.5-4.1 3.9=100 HD2 LYS 36 + HB2 LYS 36 OK 93 93 100 100 2.0-3.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 93 93 100 100 3.0-4.0 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 61 61 100 100 2.5-2.9 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 61 61 100 100 3.5-3.8 3.5=100 HD3 LYS 26 - HB3 LYS 31 far 10 99 10 - 3.5-10.7 HD3 LYS 31 - HB3 LYS 19 far 5 100 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 19 far 5 100 5 - 3.4-23.3 HD2 LYS 26 - HB3 LYS 31 far 0 100 0 - 4.7-11.2 HD2 LYS 31 - HB3 LYS 26 far 0 99 0 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 96 0 - 6.1-12.6 QB ALA 88 - HB2 LYS 86 far 0 61 0 - 6.3-6.9 HD2 LYS 26 - HB2 LYS 36 far 0 96 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 100 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 99 0 - 6.8-12.2 HG2 ARG 84 - HB2 LYS 86 far 0 38 0 - 7.2-8.5 HD3 LYS 86 - HB3 LYS 19 far 0 100 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 94 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 96 0 - 8.1-12.5 HG3 ARG 84 - HB2 LYS 86 far 0 38 0 - 8.2-9.7 HD2 LYS 31 - HB2 LYS 36 far 0 97 0 - 8.3-12.3 HD3 LYS 19 - HB2 LYS 86 far 0 55 0 - 8.4-38.5 HD2 LYS 19 - HB3 LYS 31 far 0 94 0 - 8.4-26.6 HD3 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 96 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 97 0 - 9.3-10.5 HD2 LYS 19 - HB2 LYS 86 far 0 55 0 - 9.3-38.4 HD3 LYS 24 - HB3 LYS 26 far 0 99 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 100 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 100 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 96 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 508 from cnoeabs.peaks (1.66, 1.81, 32.73 ppm; 3.94 A): 12 out of 43 assignments used, quality = 1.00: * HD3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.1-3.7 3.5=100 HD2 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 2.1-4.1 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-3.8 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.0-3.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.0-3.3 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 96 96 100 100 3.3-4.2 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 96 96 100 100 3.5-4.1 3.9=100 HD2 LYS 36 + HB2 LYS 36 OK 92 92 100 100 2.0-3.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 92 92 100 100 3.0-4.0 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 61 61 100 100 2.5-2.9 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 61 61 100 100 3.5-3.8 3.5=100 HD3 LYS 26 - HB3 LYS 31 far 10 99 10 - 3.5-10.7 HD3 LYS 31 - HB3 LYS 19 far 5 100 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 19 far 5 100 5 - 3.4-23.3 HD2 LYS 26 - HB3 LYS 31 far 0 100 0 - 4.7-11.2 HD2 LYS 31 - HB3 LYS 26 far 0 99 0 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 96 0 - 6.1-12.6 QB ALA 88 - HB2 LYS 86 far 0 61 0 - 6.3-6.9 HD2 LYS 26 - HB2 LYS 36 far 0 97 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 100 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 99 0 - 6.8-12.2 HG2 ARG 84 - HB2 LYS 86 far 0 39 0 - 7.2-8.5 HD3 LYS 86 - HB3 LYS 19 far 0 100 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 95 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 97 0 - 8.1-12.5 HG3 ARG 84 - HB2 LYS 86 far 0 39 0 - 8.2-9.7 HD2 LYS 31 - HB2 LYS 36 far 0 96 0 - 8.3-12.3 HD3 LYS 19 - HB2 LYS 86 far 0 56 0 - 8.4-38.5 HD2 LYS 19 - HB3 LYS 31 far 0 95 0 - 8.4-26.6 HD3 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 97 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 96 0 - 9.3-10.5 HD2 LYS 19 - HB2 LYS 86 far 0 56 0 - 9.3-38.4 HD3 LYS 24 - HB3 LYS 26 far 0 99 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 100 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 100 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 95 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 97 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 509 from cnoeabs.peaks (2.96, 1.81, 32.73 ppm; 6.80 A): 11 out of 37 assignments used, quality = 1.00: * HE2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.0-5.0 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.3-5.4 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.4-4.6 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 97 97 100 100 3.2-5.4 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.0-5.3 4.8=100 HE2 LYS 36 + HB2 LYS 36 OK 96 96 100 100 3.5-4.5 4.9=100 HE3 LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.8-4.2 4.9=100 HE3 LYS 31 + HB3 LYS 31 OK 94 94 100 100 2.2-5.0 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 93 93 100 100 3.6-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 93 93 100 100 3.7-4.6 4.8=100 HE3 LYS 86 + HB2 LYS 86 OK 61 61 100 100 1.8-3.6 4.9=100 HE3 LYS 26 - HB3 LYS 31 far 14 94 15 - 6.0-13.3 HE2 LYS 26 - HB3 LYS 31 far 14 94 15 - 6.3-12.4 HE2 LYS 26 - HB2 LYS 36 far 9 90 10 - 5.4-11.8 HE2 LYS 24 - HB3 LYS 19 far 5 100 5 - 6.7-14.4 HE3 LYS 86 - HB3 LYS 19 far 5 99 5 - 6.9-34.7 HE3 LYS 24 - HB3 LYS 19 far 5 99 5 - 5.6-14.9 HE2 LYS 31 - HB3 LYS 19 far 5 97 5 - 5.6-25.7 HE2 LYS 31 - HB3 LYS 26 far 5 96 5 - 6.8-14.2 HE3 LYS 31 - HB3 LYS 19 far 5 95 5 - 4.9-25.2 HE3 LYS 26 - HB3 LYS 19 far 5 95 5 - 7.3-19.5 HE3 LYS 31 - HB3 LYS 26 far 5 93 5 - 6.5-14.0 HE3 LYS 26 - HB2 LYS 36 far 4 90 5 - 7.1-12.9 HE3 LYS 19 - HB2 LYS 86 far 3 58 5 - 7.1-39.5 HE3 LYS 26 - HB3 LYS 24 far 0 96 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 93 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 95 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 97 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 99 0 - 8.2-25.8 HE2 LYS 19 - HB2 LYS 86 far 0 61 0 - 8.2-39.5 HE2 LYS 26 - HB3 LYS 24 far 0 96 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 90 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 98 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 100 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 510 from cnoeabs.peaks (2.96, 1.81, 32.73 ppm; 6.80 A): 11 out of 37 assignments used, quality = 1.00: * HE3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.4-4.6 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.2-5.4 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.3-5.4 5.1=100 HE2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.0-5.0 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.0-5.3 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.2-5.0 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 98 98 100 100 3.6-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 98 98 100 100 3.7-4.6 4.8=100 HE3 LYS 36 + HB2 LYS 36 OK 97 97 100 100 2.8-4.2 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 96 96 100 100 3.5-4.5 4.9=100 HE3 LYS 86 + HB2 LYS 86 OK 61 61 100 100 1.8-3.6 4.9=100 HE3 LYS 26 - HB3 LYS 31 far 15 99 15 - 6.0-13.3 HE2 LYS 26 - HB3 LYS 31 far 15 99 15 - 6.3-12.4 HE2 LYS 26 - HB2 LYS 36 far 9 95 10 - 5.4-11.8 HE3 LYS 24 - HB3 LYS 19 far 5 100 5 - 5.6-14.9 HE2 LYS 31 - HB3 LYS 19 far 5 100 5 - 5.6-25.7 HE3 LYS 86 - HB3 LYS 19 far 5 100 5 - 6.9-34.7 HE3 LYS 31 - HB3 LYS 19 far 5 99 5 - 4.9-25.2 HE2 LYS 24 - HB3 LYS 19 far 5 99 5 - 6.7-14.4 HE3 LYS 26 - HB3 LYS 19 far 5 99 5 - 7.3-19.5 HE2 LYS 31 - HB3 LYS 26 far 5 99 5 - 6.8-14.2 HE3 LYS 31 - HB3 LYS 26 far 5 98 5 - 6.5-14.0 HE3 LYS 26 - HB2 LYS 36 far 5 95 5 - 7.1-12.9 HE3 LYS 19 - HB2 LYS 86 far 3 61 5 - 7.1-39.5 HE3 LYS 26 - HB3 LYS 24 far 0 99 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 96 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 99 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 99 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 99 0 - 8.2-25.8 HE2 LYS 19 - HB2 LYS 86 far 0 61 0 - 8.2-39.5 HE2 LYS 26 - HB3 LYS 24 far 0 99 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 95 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 100 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 100 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 99 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 511 from cnoeabs.peaks (8.10, 1.81, 32.73 ppm; 3.93 A): 2 out of 7 assignments used, quality = 1.00: * H THR 25 + HB3 LYS 24 OK 100 100 100 100 1.9-3.2 6233=100, 6232/1.8=86...(14) H PHE 87 + HB2 LYS 86 OK 53 54 100 100 2.4-3.7 7157/1.8=71, 7156=71...(15) H THR 25 - HB3 LYS 19 far 5 100 5 - 4.1-14.1 HD22 ASN 85 - HB2 LYS 86 far 0 43 0 - 6.2-9.4 H GLU 91 - HB2 LYS 86 far 0 41 0 - 6.6-8.5 H THR 25 - HB3 LYS 26 far 0 99 0 - 6.8-7.7 H THR 25 - HB3 LYS 31 far 0 100 0 - 7.2-17.0 Violated in 0 structures by 0.00 A. Peak 512 from cnoeabs.peaks (8.37, 1.38, 24.62 ppm; 4.45 A): 4 out of 19 assignments used, quality = 1.00: * H LYS 24 + HG2 LYS 24 OK 100 100 100 100 1.9-3.3 6222=100, 6223/1.8=94...(29) H LYS 26 + HG3 LYS 26 OK 99 99 100 100 1.7-3.0 6253=100, 6252/1.8=94...(46) H GLN 27 + HG3 LYS 26 OK 82 82 100 100 2.4-4.6 5.0=72, 6263/3.0=65...(14) H LYS 19 + HG2 LYS 19 OK 57 57 100 100 1.9-2.5 4.9=76, 6149/3.0=67...(51) H LYS 24 - HG3 LYS 31 far 0 86 0 - 5.2-19.3 H ASP 35 - HG3 LYS 26 far 0 86 0 - 5.6-9.7 H ASP 35 - HG2 LYS 36 far 0 62 0 - 6.2-6.5 H LYS 24 - HG2 LYS 19 far 0 77 0 - 6.3-11.2 H LYS 19 - HG3 LYS 31 far 0 65 0 - 6.5-26.7 H LYS 24 - HG3 LYS 26 far 0 99 0 - 7.3-8.8 H LYS 26 - HG3 LYS 31 far 0 86 0 - 7.3-14.7 H LYS 19 - HG2 LYS 24 far 0 83 0 - 7.4-12.9 H GLY 14 - HG2 LYS 19 far 0 77 0 - 7.4-15.8 H GLN 27 - HG3 LYS 31 far 0 67 0 - 7.5-10.6 H LYS 26 - HG2 LYS 24 far 0 100 0 - 8.1-8.5 H GLN 27 - HG2 LYS 24 far 0 85 0 - 8.3-11.2 H ASP 35 - HG3 LYS 31 far 0 71 0 - 9.1-11.8 H GLN 27 - HG2 LYS 19 far 0 59 0 - 9.3-18.3 H LYS 26 - HG2 LYS 19 far 0 77 0 - 9.7-16.7 Violated in 0 structures by 0.00 A. Peak 513 from cnoeabs.peaks (4.33, 1.38, 24.62 ppm; 3.67 A increased from 3.45 A): 1 out of 9 assignments used, quality = 1.00: * HA LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.8-3.5 483=100, 482/2.9=72...(33) HA LYS 24 - HG3 LYS 26 far 0 99 0 - 6.9-8.6 HA PRO 81 - HG2 LYS 19 far 0 77 0 - 7.2-35.4 HA2 GLY 75 - HG3 LYS 26 far 0 86 0 - 7.2-14.4 HA TYR 76 - HG2 LYS 36 far 0 51 0 - 7.6-8.7 HA LYS 24 - HG3 LYS 31 far 0 86 0 - 7.6-20.0 HA2 GLY 75 - HG2 LYS 36 far 0 62 0 - 8.5-10.2 HA2 GLY 75 - HG2 LYS 19 far 0 62 0 - 8.8-29.4 HA LYS 24 - HG2 LYS 19 far 0 77 0 - 8.9-13.3 Violated in 0 structures by 0.00 A. Peak 514 from cnoeabs.peaks (1.75, 1.38, 24.62 ppm; 3.90 A): 4 out of 21 assignments used, quality = 1.00: * HB2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.5-3.0 3.0=100 HB2 LYS 31 + HG3 LYS 31 OK 85 85 100 100 2.3-3.0 3.0=100 HB2 LYS 19 + HG2 LYS 19 OK 77 77 100 100 2.9-2.9 3.0=100 HB2 LYS 31 - HG3 LYS 26 far 10 99 10 - 4.0-11.8 HB2 ARG 23 - HG3 LYS 31 far 4 83 5 - 3.4-19.1 HB2 ARG 23 - HG2 LYS 24 far 0 99 0 - 4.9-6.7 HB2 LYS 26 - HG3 LYS 31 far 0 86 0 - 5.1-12.9 HB2 ARG 23 - HG2 LYS 19 far 0 74 0 - 5.8-10.2 HB2 LYS 19 - HG3 LYS 31 far 0 86 0 - 6.0-26.3 HB2 LYS 24 - HG2 LYS 19 far 0 77 0 - 6.4-14.3 HG3 ARG 90 - HG2 LYS 19 far 0 65 0 - 6.6-35.6 HB2 LYS 31 - HG2 LYS 24 far 0 100 0 - 6.6-18.9 HB2 LYS 19 - HG2 LYS 24 far 0 100 0 - 6.7-13.0 HB2 ARG 23 - HG3 LYS 26 far 0 97 0 - 6.8-11.8 HB2 LYS 24 - HG3 LYS 26 far 0 99 0 - 7.1-8.9 HB2 LYS 31 - HG2 LYS 19 far 0 76 0 - 7.6-22.5 HB2 LYS 24 - HG3 LYS 31 far 0 86 0 - 7.7-20.6 HB2 LYS 26 - HG2 LYS 24 far 0 100 0 - 9.2-11.0 HB2 LYS 19 - HG3 LYS 26 far 0 99 0 - 9.3-19.3 HB ILE 80 - HG2 LYS 19 far 0 72 0 - 9.7-35.2 Violated in 0 structures by 0.00 A. Peak 515 from cnoeabs.peaks (1.81, 1.38, 24.62 ppm; 3.56 A): 5 out of 30 assignments used, quality = 1.00: * HB3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.5-3.0 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 2.7-2.8 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 76 76 100 100 2.7-2.9 3.0=100 HB3 LYS 19 - HG3 LYS 31 far 0 86 0 - 4.5-24.5 HB3 ARG 23 - HG2 LYS 24 far 0 98 0 - 4.5-6.6 HB3 ARG 23 - HG3 LYS 31 far 0 82 0 - 5.0-20.1 HB3 LYS 26 - HG3 LYS 31 far 0 85 0 - 5.1-11.5 HB3 LYS 31 - HG3 LYS 26 far 0 99 0 - 5.2-13.1 HB3 ARG 23 - HG3 LYS 26 far 0 96 0 - 5.2-11.9 HB ILE 32 - HG3 LYS 26 far 0 99 0 - 5.4-7.7 HB3 LYS 19 - HG2 LYS 24 far 0 100 0 - 5.9-12.2 HB ILE 32 - HG3 LYS 31 far 0 85 0 - 6.3-8.2 HB3 LYS 31 - HG2 LYS 19 far 0 77 0 - 6.7-24.1 HB3 ARG 23 - HG2 LYS 19 far 0 73 0 - 7.0-10.5 HB2 LYS 36 - HG3 LYS 31 far 0 86 0 - 7.5-12.4 HB3 LYS 24 - HG3 LYS 26 far 0 99 0 - 7.5-8.6 HB ILE 32 - HG2 LYS 36 far 0 76 0 - 7.6-8.8 HB3 LYS 31 - HG2 LYS 24 far 0 100 0 - 7.8-20.3 HB3 LYS 19 - HG3 LYS 26 far 0 99 0 - 7.9-18.0 HB3 LYS 24 - HG2 LYS 19 far 0 77 0 - 8.1-14.8 HB2 LYS 36 - HG3 LYS 26 far 0 99 0 - 8.6-13.7 HB2 LYS 86 - HG2 LYS 19 far 0 59 0 - 8.6-36.4 HB2 CYS 79 - HG2 LYS 36 far 0 47 0 - 8.7-10.3 HB3 LYS 24 - HG3 LYS 31 far 0 86 0 - 8.9-20.1 HB2 CYS 79 - HG2 LYS 19 far 0 47 0 - 9.5-31.5 HB2 CYS 79 - HG3 LYS 26 far 0 68 0 - 9.7-15.8 HB2 CYS 79 - HG2 LYS 24 far 0 71 0 - 9.7-23.7 HB VAL 93 - HG2 LYS 19 far 0 67 0 - 9.8-38.5 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 27 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 QB ALA 34 - HG3 LYS 26 far 0 63 0 - 4.6-8.5 HG2 LYS 26 - HG3 LYS 31 far 0 77 0 - 4.7-13.7 HG13 ILE 32 - HG3 LYS 26 far 0 97 0 - 4.7-7.3 HG3 LYS 19 - HG3 LYS 31 far 0 86 0 - 5.7-24.8 HG2 LYS 31 - HG3 LYS 26 far 0 99 0 - 5.9-14.2 HG2 LYS 31 - HG2 LYS 19 far 0 76 0 - 6.2-23.2 QB ALA 34 - HG2 LYS 36 far 0 43 0 - 6.3-6.8 HG13 ILE 32 - HG3 LYS 31 far 0 83 0 - 6.4-7.6 HG2 LYS 31 - HG2 LYS 24 far 0 100 0 - 7.5-21.3 HG3 LYS 24 - HG2 LYS 19 far 0 77 0 - 7.6-13.9 HG3 LYS 24 - HG3 LYS 31 far 0 86 0 - 7.7-21.4 HG3 LYS 19 - HG2 LYS 24 far 0 100 0 - 8.0-13.2 QB ALA 34 - HG3 LYS 31 far 0 50 0 - 8.0-10.4 HG3 LYS 19 - HG3 LYS 26 far 0 99 0 - 8.4-18.3 QB ALA 34 - HG2 LYS 24 far 0 65 0 - 8.5-15.1 HG3 LYS 36 - HG3 LYS 31 far 0 63 0 - 8.7-13.1 HG2 LYS 86 - HG2 LYS 19 far 0 47 0 - 8.9-35.3 HG3 LYS 86 - HG2 LYS 19 far 0 39 0 - 8.9-35.4 QB ALA 34 - HG2 LYS 19 far 0 43 0 - 8.9-21.8 HG2 LYS 26 - HG2 LYS 24 far 0 95 0 - 9.0-11.7 HG3 LYS 24 - HG3 LYS 26 far 0 99 0 - 9.1-10.6 HG13 ILE 32 - HG2 LYS 36 far 0 74 0 - 9.9-10.8 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 37 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 2.4-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.3-3.0 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.6-3.0 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 2.2-3.0 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 72 72 100 100 2.2-2.3 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 72 72 100 100 2.7-2.9 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 69 69 100 100 2.2-2.7 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 69 69 100 100 2.3-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 4 86 5 - 4.1-12.0 HD3 LYS 31 - HG2 LYS 19 far 4 77 5 - 3.6-23.8 HD2 LYS 31 - HG2 LYS 19 far 0 77 0 - 4.9-23.9 HD2 LYS 26 - HG3 LYS 31 far 0 86 0 - 5.4-12.2 HD2 LYS 36 - HG3 LYS 31 far 0 82 0 - 6.6-10.5 HD3 LYS 31 - HG3 LYS 26 far 0 99 0 - 6.8-14.4 HD2 LYS 31 - HG3 LYS 26 far 0 99 0 - 6.9-14.3 HD2 LYS 19 - HG3 LYS 31 far 0 78 0 - 7.5-27.4 HD3 LYS 24 - HG2 LYS 19 far 0 77 0 - 7.5-14.7 HD3 LYS 19 - HG3 LYS 31 far 0 78 0 - 7.7-26.9 HD2 LYS 86 - HG2 LYS 19 far 0 77 0 - 7.8-33.2 HD3 LYS 36 - HG3 LYS 31 far 0 82 0 - 7.9-11.7 HD3 LYS 86 - HG2 LYS 19 far 0 77 0 - 8.2-34.2 HD2 LYS 24 - HG2 LYS 19 far 0 77 0 - 8.4-14.5 HD2 LYS 19 - HG2 LYS 24 far 0 96 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 76 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 77 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 99 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 100 0 - 9.0-21.0 HD2 LYS 36 - HG3 LYS 26 far 0 96 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 100 0 - 9.3-12.6 HD2 LYS 24 - HG3 LYS 31 far 0 86 0 - 9.3-22.5 HD2 LYS 31 - HG2 LYS 24 far 0 100 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 96 0 - 9.5-14.5 HD3 LYS 24 - HG3 LYS 31 far 0 86 0 - 9.8-21.7 HD3 LYS 26 - HG2 LYS 19 far 0 77 0 - 9.8-19.7 HD2 LYS 24 - HG3 LYS 26 far 0 99 0 - 9.8-11.8 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 37 assignments used, quality = 1.00: * HD3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.4-3.0 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 2.3-3.0 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.6-3.0 2.9=100 HD3 LYS 31 + HG3 LYS 31 OK 86 86 100 100 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 36 + HG2 LYS 36 OK 71 71 100 100 2.2-2.3 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 71 71 100 100 2.7-2.9 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 71 71 100 100 2.2-2.7 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 71 71 100 100 2.3-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 4 86 5 - 4.1-12.0 HD3 LYS 31 - HG2 LYS 19 far 4 77 5 - 3.6-23.8 HD2 LYS 31 - HG2 LYS 19 far 0 77 0 - 4.9-23.9 HD2 LYS 26 - HG3 LYS 31 far 0 86 0 - 5.4-12.2 HD2 LYS 36 - HG3 LYS 31 far 0 81 0 - 6.6-10.5 HD3 LYS 31 - HG3 LYS 26 far 0 99 0 - 6.8-14.4 HD2 LYS 31 - HG3 LYS 26 far 0 99 0 - 6.9-14.3 HD2 LYS 19 - HG3 LYS 31 far 0 80 0 - 7.5-27.4 HD3 LYS 24 - HG2 LYS 19 far 0 77 0 - 7.5-14.7 HD3 LYS 19 - HG3 LYS 31 far 0 80 0 - 7.7-26.9 HD2 LYS 86 - HG2 LYS 19 far 0 77 0 - 7.8-33.2 HD3 LYS 36 - HG3 LYS 31 far 0 81 0 - 7.9-11.7 HD3 LYS 86 - HG2 LYS 19 far 0 77 0 - 8.2-34.2 HD2 LYS 24 - HG2 LYS 19 far 0 77 0 - 8.4-14.5 HD2 LYS 19 - HG2 LYS 24 far 0 97 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 76 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 77 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 99 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 100 0 - 9.0-21.0 HD2 LYS 36 - HG3 LYS 26 far 0 95 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 100 0 - 9.3-12.6 HD2 LYS 24 - HG3 LYS 31 far 0 86 0 - 9.3-22.5 HD2 LYS 31 - HG2 LYS 24 far 0 100 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 97 0 - 9.5-14.5 HD3 LYS 24 - HG3 LYS 31 far 0 86 0 - 9.8-21.7 HD3 LYS 26 - HG2 LYS 19 far 0 77 0 - 9.8-19.7 HD2 LYS 24 - HG3 LYS 26 far 0 99 0 - 9.8-11.8 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 41 assignments used, quality = 1.00: * HE2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.1-4.1 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.0-4.2 4.0=100 HE3 LYS 26 + HG3 LYS 26 OK 93 93 100 100 2.0-3.4 3.6=100 HE2 LYS 26 + HG3 LYS 26 OK 93 93 100 100 2.3-3.8 3.6=100 HE2 LYS 31 + HG3 LYS 31 OK 82 82 100 100 2.1-4.2 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 78 78 100 100 2.0-4.0 3.7=100 HE2 LYS 19 + HG2 LYS 19 OK 77 77 100 100 2.8-3.7 3.8=100 HE2 LYS 36 + HG2 LYS 36 OK 76 76 100 100 3.1-4.1 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 75 75 100 100 3.1-4.2 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 73 73 100 100 2.1-4.1 3.8=100 HE3 LYS 31 - HG2 LYS 19 far 3 69 5 - 4.6-26.0 HE2 LYS 26 - HG3 LYS 31 far 0 78 0 - 6.1-13.8 HE2 LYS 31 - HG2 LYS 19 far 0 73 0 - 6.1-26.2 HE3 LYS 26 - HG3 LYS 31 far 0 78 0 - 6.1-14.7 HE3 LYS 36 - HG3 LYS 31 far 0 84 0 - 6.3-11.5 HE3 LYS 24 - HG2 LYS 19 far 0 75 0 - 6.5-14.6 HE2 LYS 36 - HG3 LYS 31 far 0 86 0 - 6.5-12.0 HE3 LYS 86 - HG2 LYS 19 far 0 76 0 - 6.8-34.9 HE2 LYS 26 - HG2 LYS 36 far 0 69 0 - 7.3-12.6 HE3 LYS 19 - HG3 LYS 31 far 0 82 0 - 7.7-28.1 HE2 LYS 24 - HG2 LYS 19 far 0 77 0 - 8.0-15.1 HE2 LYS 24 - HG3 LYS 31 far 0 86 0 - 8.1-23.8 HE2 LYS 31 - HG3 LYS 26 far 0 96 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 93 0 - 8.6-15.9 HE2 LYS 19 - HG3 LYS 31 far 0 86 0 - 8.6-26.5 HE3 LYS 26 - HG2 LYS 24 far 0 96 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 19 far 0 69 0 - 8.8-19.2 HE3 LYS 26 - HG2 LYS 36 far 0 69 0 - 8.9-13.8 HE2 LYS 26 - HG2 LYS 19 far 0 69 0 - 9.0-20.5 HE2 LYS 19 - HG3 LYS 26 far 0 99 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 98 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 68 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 72 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 98 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 100 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 96 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 98 0 - 9.8-15.3 HE3 LYS 24 - HG3 LYS 31 far 0 84 0 - 9.8-23.3 HE2 LYS 26 - HG2 LYS 24 far 0 96 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 99 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 96 0 - 10.0-22.2 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 41 assignments used, quality = 1.00: * HE3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.0-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.1-4.1 4.0=100 HE3 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.0-3.4 3.6=100 HE2 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.3-3.8 3.6=100 HE2 LYS 31 + HG3 LYS 31 OK 86 86 100 100 2.1-4.2 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 84 84 100 100 2.0-4.0 3.7=100 HE3 LYS 36 + HG2 LYS 36 OK 77 77 100 100 3.1-4.2 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 77 77 100 100 2.1-4.1 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 77 77 100 100 2.8-3.7 3.8=100 HE2 LYS 36 + HG2 LYS 36 OK 76 76 100 100 3.1-4.1 4.0=100 HE3 LYS 31 - HG2 LYS 19 far 4 75 5 - 4.6-26.0 HE2 LYS 26 - HG3 LYS 31 far 0 84 0 - 6.1-13.8 HE2 LYS 31 - HG2 LYS 19 far 0 77 0 - 6.1-26.2 HE3 LYS 26 - HG3 LYS 31 far 0 84 0 - 6.1-14.7 HE3 LYS 36 - HG3 LYS 31 far 0 86 0 - 6.3-11.5 HE3 LYS 24 - HG2 LYS 19 far 0 77 0 - 6.5-14.6 HE2 LYS 36 - HG3 LYS 31 far 0 85 0 - 6.5-12.0 HE3 LYS 86 - HG2 LYS 19 far 0 77 0 - 6.8-34.9 HE2 LYS 26 - HG2 LYS 36 far 0 75 0 - 7.3-12.6 HE3 LYS 19 - HG3 LYS 31 far 0 86 0 - 7.7-28.1 HE2 LYS 24 - HG2 LYS 19 far 0 75 0 - 8.0-15.1 HE2 LYS 24 - HG3 LYS 31 far 0 84 0 - 8.1-23.8 HE2 LYS 31 - HG3 LYS 26 far 0 99 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 98 0 - 8.6-15.9 HE2 LYS 19 - HG3 LYS 31 far 0 86 0 - 8.6-26.5 HE3 LYS 26 - HG2 LYS 24 far 0 99 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 19 far 0 75 0 - 8.8-19.2 HE3 LYS 26 - HG2 LYS 36 far 0 75 0 - 8.9-13.8 HE2 LYS 26 - HG2 LYS 19 far 0 75 0 - 9.0-20.5 HE2 LYS 19 - HG3 LYS 26 far 0 99 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 100 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 58 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 76 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 100 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 100 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 99 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 99 0 - 9.8-15.3 HE3 LYS 24 - HG3 LYS 31 far 0 86 0 - 9.8-23.3 HE2 LYS 26 - HG2 LYS 24 far 0 99 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 98 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 99 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 522 from cnoeabs.peaks (8.10, 1.38, 24.62 ppm; 4.88 A): 1 out of 4 assignments used, quality = 1.00: * H THR 25 + HG2 LYS 24 OK 100 100 100 100 3.8-4.2 6234=100, 6233/2.9=92...(15) H THR 25 - HG3 LYS 26 far 10 99 10 - 5.4-6.3 H THR 25 - HG2 LYS 19 far 0 77 0 - 6.5-13.8 H THR 25 - HG3 LYS 31 far 0 86 0 - 7.5-17.3 Violated in 0 structures by 0.00 A. Peak 523 from cnoeabs.peaks (8.37, 1.45, 24.62 ppm; 4.62 A): 4 out of 20 assignments used, quality = 1.00: * H LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.6-3.7 6223=100, 6222/1.8=99...(30) H LYS 19 + HG3 LYS 19 OK 82 82 100 100 3.4-3.7 4.9=85, 6151/1.8=71...(50) H LYS 26 + HG2 LYS 26 OK 82 82 100 100 2.6-3.9 6253/1.8=97, 6250/3.0=95...(52) H GLN 27 + HG2 LYS 26 OK 63 63 100 100 3.0-4.7 5.0=80, 6263/3.0=68...(17) H ASP 35 - HG2 LYS 26 far 0 66 0 - 5.4-9.9 H LYS 24 - HG2 LYS 31 far 0 97 0 - 5.5-20.1 H LYS 24 - HG3 LYS 19 far 0 100 0 - 6.5-12.1 H LYS 26 - HG2 LYS 31 far 0 97 0 - 6.8-15.7 H GLY 14 - HG3 LYS 19 far 0 100 0 - 6.9-17.3 H LYS 19 - HG3 LYS 24 far 0 83 0 - 7.1-14.6 H GLN 27 - HG2 LYS 31 far 0 79 0 - 7.3-11.4 H LYS 24 - HG2 LYS 26 far 0 82 0 - 7.5-10.2 H LYS 19 - HG2 LYS 31 far 0 77 0 - 7.6-25.0 H GLN 27 - HG3 LYS 19 far 0 84 0 - 8.2-18.7 H LYS 26 - HG3 LYS 24 far 0 100 0 - 8.4-8.8 H LYS 26 - HG3 LYS 19 far 0 100 0 - 8.6-17.2 H GLN 27 - HG3 LYS 24 far 0 85 0 - 8.7-11.8 H ASP 35 - HG3 LYS 24 far 0 89 0 - 9.5-18.1 H LYS 86 - HG3 LYS 19 far 0 60 0 - 9.6-39.5 H ASP 35 - HG2 LYS 31 far 0 83 0 - 9.6-11.3 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 9 assignments used, quality = 1.00: * HA LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.5-3.8 484=100, 513/1.8=82...(33) HA PRO 81 - HG3 LYS 19 far 0 100 0 - 5.5-35.9 HA2 GLY 75 - HG2 LYS 26 far 0 66 0 - 6.8-14.1 HA2 GLY 75 - HG3 LYS 19 far 0 88 0 - 7.4-30.2 HA LYS 24 - HG2 LYS 31 far 0 97 0 - 7.4-21.3 HA LYS 24 - HG2 LYS 26 far 0 82 0 - 7.5-10.3 HA LYS 24 - HG3 LYS 19 far 0 100 0 - 8.9-14.1 HA PRO 81 - HG3 LYS 24 far 0 100 0 - 9.6-29.0 HA TYR 76 - HG3 LYS 19 far 0 75 0 - 9.9-32.6 Violated in 1 structures by 0.00 A. Peak 525 from cnoeabs.peaks (1.75, 1.45, 24.62 ppm; 4.19 A): 4 out of 21 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 2.7-2.8 3.0=100 HB2 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.2-2.9 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 poor 16 81 20 - 2.4-11.6 HB2 ARG 23 - HG3 LYS 24 far 5 99 5 - 4.8-8.2 HB2 LYS 26 - HG2 LYS 31 far 5 97 5 - 4.5-14.0 HB2 ARG 23 - HG2 LYS 31 far 5 95 5 - 3.0-20.5 HG3 ARG 90 - HG3 LYS 19 far 0 91 0 - 5.3-36.6 HB2 ARG 23 - HG3 LYS 19 far 0 98 0 - 5.8-11.0 HB2 ARG 23 - HG2 LYS 26 far 0 78 0 - 6.1-13.4 HB2 LYS 19 - HG3 LYS 24 far 0 100 0 - 6.1-14.5 HB2 LYS 24 - HG3 LYS 19 far 0 100 0 - 6.3-15.3 HB2 LYS 31 - HG3 LYS 19 far 0 100 0 - 6.6-22.5 HB2 LYS 19 - HG2 LYS 31 far 0 97 0 - 7.2-24.6 HB2 LYS 24 - HG2 LYS 26 far 0 82 0 - 7.3-9.8 HB2 LYS 31 - HG3 LYS 24 far 0 100 0 - 7.4-19.6 HB2 LYS 24 - HG2 LYS 31 far 0 97 0 - 8.1-20.1 HB ILE 80 - HG3 LYS 19 far 0 97 0 - 8.2-35.9 HB2 LYS 26 - HG3 LYS 19 far 0 100 0 - 9.5-17.7 HB2 LYS 26 - HG3 LYS 24 far 0 100 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 526 from cnoeabs.peaks (1.81, 1.45, 24.62 ppm; 3.89 A): 4 out of 28 assignments used, quality = 1.00: * HB3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.4-2.7 2.9=100 HB3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-2.2 3.0=100 HB3 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.3-3.0 3.0=100 HB3 LYS 26 + HG2 LYS 26 OK 80 80 100 100 2.3-3.0 3.0=100 HB3 LYS 31 - HG2 LYS 26 far 8 82 10 - 3.5-12.8 HB3 ARG 23 - HG3 LYS 24 far 5 98 5 - 4.3-7.9 HB3 ARG 23 - HG2 LYS 31 far 0 94 0 - 4.5-21.6 HB3 ARG 23 - HG2 LYS 26 far 0 77 0 - 4.5-13.3 HB ILE 32 - HG2 LYS 26 far 0 81 0 - 5.1-7.5 HB3 LYS 26 - HG2 LYS 31 far 0 96 0 - 5.1-12.2 HB3 LYS 19 - HG2 LYS 31 far 0 97 0 - 5.6-22.9 HB3 LYS 19 - HG3 LYS 24 far 0 100 0 - 5.6-13.8 HB3 LYS 31 - HG3 LYS 19 far 0 100 0 - 6.3-24.1 HB ILE 32 - HG2 LYS 31 far 0 97 0 - 6.8-8.1 HB3 ARG 23 - HG3 LYS 19 far 0 98 0 - 7.1-11.4 HB3 LYS 24 - HG2 LYS 26 far 0 82 0 - 7.5-10.2 HB2 LYS 86 - HG3 LYS 19 far 0 84 0 - 7.6-37.3 HB3 LYS 24 - HG3 LYS 19 far 0 100 0 - 7.9-15.5 HB2 CYS 79 - HG3 LYS 24 far 0 71 0 - 8.1-24.5 HB2 LYS 36 - HG2 LYS 26 far 0 81 0 - 8.3-12.6 HB2 CYS 79 - HG3 LYS 19 far 0 70 0 - 8.4-32.1 HB VAL 93 - HG3 LYS 19 far 0 93 0 - 8.6-39.5 HB3 LYS 31 - HG3 LYS 24 far 0 100 0 - 8.8-21.0 HB2 LYS 36 - HG2 LYS 31 far 0 97 0 - 9.0-11.1 HB3 LYS 24 - HG2 LYS 31 far 0 97 0 - 9.1-21.2 HB2 CYS 79 - HG2 LYS 26 far 0 51 0 - 9.3-16.4 HB3 LYS 19 - HG2 LYS 26 far 0 82 0 - 9.5-18.7 HB3 LYS 26 - HG3 LYS 19 far 0 99 0 - 9.9-18.0 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 27 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 29 - HG2 LYS 26 far 4 82 5 - 3.0-8.2 QB ALA 15 - HG3 LYS 19 far 0 100 0 - 3.8-11.7 QB ALA 12 - HG2 LYS 31 far 0 77 0 - 4.3-31.0 HG3 LYS 31 - HG2 LYS 26 far 0 75 0 - 4.7-13.7 QB ALA 16 - HG3 LYS 19 far 0 70 0 - 4.9-8.8 QB ALA 28 - HG2 LYS 26 far 0 81 0 - 5.0-8.7 HG3 LYS 31 - HG3 LYS 19 far 0 96 0 - 5.7-24.8 HG3 LYS 26 - HG2 LYS 31 far 0 97 0 - 5.9-14.2 QB ALA 16 - HG2 LYS 31 far 0 66 0 - 6.1-23.6 HG2 LYS 19 - HG2 LYS 31 far 0 87 0 - 6.2-23.2 QB ALA 12 - HG3 LYS 19 far 0 82 0 - 6.3-19.8 QB ALA 28 - HG3 LYS 24 far 0 100 0 - 6.3-14.2 HG2 LYS 24 - HG2 LYS 31 far 0 97 0 - 7.5-21.3 HG2 LYS 19 - HG3 LYS 24 far 0 92 0 - 7.6-13.9 HG3 LYS 31 - HG3 LYS 24 far 0 97 0 - 7.7-21.4 QB ALA 29 - HG2 LYS 31 far 0 97 0 - 7.9-9.1 HG2 LYS 24 - HG3 LYS 19 far 0 100 0 - 8.0-13.2 QB ALA 28 - HG2 LYS 31 far 0 97 0 - 8.2-9.6 HG3 LYS 26 - HG3 LYS 19 far 0 100 0 - 8.4-18.3 HG2 LYS 24 - HG2 LYS 26 far 0 82 0 - 9.0-11.7 HG3 LYS 26 - HG3 LYS 24 far 0 100 0 - 9.1-10.6 QB ALA 15 - HG2 LYS 26 far 0 81 0 - 9.1-21.9 QB ALA 29 - HG3 LYS 24 far 0 100 0 - 9.9-16.2 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): 8 out of 32 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 2.3-3.0 3.0=100 HD2 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.4-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HG3 LYS 19 OK 95 95 100 100 2.3-2.8 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 95 95 100 100 2.9-3.0 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 2.2-3.0 2.9=100 HD3 LYS 31 - HG3 LYS 19 far 5 100 5 - 3.5-23.9 HD2 LYS 31 - HG3 LYS 19 far 5 100 5 - 4.2-23.7 HD3 LYS 26 - HG2 LYS 31 far 5 97 5 - 4.0-11.7 HD3 LYS 31 - HG2 LYS 26 far 0 82 0 - 5.1-14.0 HD2 LYS 31 - HG2 LYS 26 far 0 82 0 - 5.2-13.9 HD2 LYS 26 - HG2 LYS 31 far 0 97 0 - 5.7-12.1 HD2 LYS 86 - HG3 LYS 19 far 0 100 0 - 6.6-34.0 HD3 LYS 86 - HG3 LYS 19 far 0 100 0 - 7.2-35.0 HD3 LYS 24 - HG3 LYS 19 far 0 100 0 - 7.6-15.9 HD2 LYS 19 - HG3 LYS 24 far 0 96 0 - 8.0-16.0 HD2 LYS 36 - HG2 LYS 31 far 0 94 0 - 8.0-10.5 HD3 LYS 24 - HG2 LYS 26 far 0 82 0 - 8.3-12.6 HD2 LYS 24 - HG3 LYS 19 far 0 100 0 - 8.4-15.6 HD3 LYS 19 - HG2 LYS 31 far 0 91 0 - 8.5-25.2 HD2 LYS 19 - HG2 LYS 31 far 0 91 0 - 8.5-25.7 HD3 LYS 26 - HG3 LYS 19 far 0 100 0 - 9.0-20.4 HD3 LYS 36 - HG2 LYS 31 far 0 94 0 - 9.2-11.8 HD2 LYS 36 - HG2 LYS 26 far 0 77 0 - 9.2-12.8 HD3 LYS 19 - HG3 LYS 24 far 0 96 0 - 9.2-16.2 HD2 LYS 24 - HG2 LYS 26 far 0 82 0 - 9.4-13.2 HD2 LYS 26 - HG3 LYS 19 far 0 100 0 - 9.5-19.8 HD2 LYS 86 - HG3 LYS 24 far 0 100 0 - 9.7-25.0 HD3 LYS 31 - HG3 LYS 24 far 0 100 0 - 9.8-22.2 HD2 LYS 24 - HG2 LYS 31 far 0 97 0 - 10.0-23.6 Violated in 0 structures by 0.00 A. Peak 530 from cnoeabs.peaks (1.66, 1.45, 24.62 ppm; 3.83 A): 8 out of 32 assignments used, quality = 1.00: * HD3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.4-3.0 2.9=100 HD3 LYS 19 + HG3 LYS 19 OK 96 96 100 100 2.3-2.8 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 96 96 100 100 2.9-3.0 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 2.2-3.0 2.9=100 HD3 LYS 31 - HG3 LYS 19 far 5 100 5 - 3.5-23.9 HD2 LYS 31 - HG3 LYS 19 far 5 100 5 - 4.2-23.7 HD3 LYS 26 - HG2 LYS 31 far 5 97 5 - 4.0-11.7 HD3 LYS 31 - HG2 LYS 26 far 0 82 0 - 5.1-14.0 HD2 LYS 31 - HG2 LYS 26 far 0 82 0 - 5.2-13.9 HD2 LYS 26 - HG2 LYS 31 far 0 97 0 - 5.7-12.1 HD2 LYS 86 - HG3 LYS 19 far 0 100 0 - 6.6-34.0 HD3 LYS 86 - HG3 LYS 19 far 0 100 0 - 7.2-35.0 HD3 LYS 24 - HG3 LYS 19 far 0 100 0 - 7.6-15.9 HD2 LYS 19 - HG3 LYS 24 far 0 97 0 - 8.0-16.0 HD2 LYS 36 - HG2 LYS 31 far 0 93 0 - 8.0-10.5 HD3 LYS 24 - HG2 LYS 26 far 0 82 0 - 8.3-12.6 HD2 LYS 24 - HG3 LYS 19 far 0 100 0 - 8.4-15.6 HD3 LYS 19 - HG2 LYS 31 far 0 92 0 - 8.5-25.2 HD2 LYS 19 - HG2 LYS 31 far 0 92 0 - 8.5-25.7 HD3 LYS 26 - HG3 LYS 19 far 0 100 0 - 9.0-20.4 HD3 LYS 36 - HG2 LYS 31 far 0 93 0 - 9.2-11.8 HD2 LYS 36 - HG2 LYS 26 far 0 76 0 - 9.2-12.8 HD3 LYS 19 - HG3 LYS 24 far 0 97 0 - 9.2-16.2 HD2 LYS 24 - HG2 LYS 26 far 0 82 0 - 9.4-13.2 HD2 LYS 26 - HG3 LYS 19 far 0 100 0 - 9.5-19.8 HD2 LYS 86 - HG3 LYS 24 far 0 100 0 - 9.7-25.0 HD3 LYS 31 - HG3 LYS 24 far 0 100 0 - 9.8-22.2 HD2 LYS 24 - HG2 LYS 31 far 0 97 0 - 10.0-23.6 Violated in 0 structures by 0.00 A. Peak 531 from cnoeabs.peaks (2.96, 1.45, 24.62 ppm; 4.95 A): 8 out of 30 assignments used, quality = 1.00: * HE2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.3-4.0 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.1-3.9 3.8=100 HE3 LYS 24 + HG3 LYS 24 OK 99 99 100 100 2.3-3.9 4.0=100 HE3 LYS 19 + HG3 LYS 19 OK 98 98 100 100 2.2-3.7 3.8=100 HE2 LYS 31 + HG2 LYS 31 OK 94 94 100 100 2.1-4.0 3.7=100 HE3 LYS 31 + HG2 LYS 31 OK 91 91 100 100 2.0-4.2 3.7=100 HE3 LYS 26 + HG2 LYS 26 OK 74 74 100 100 2.2-3.8 3.6=100 HE2 LYS 26 + HG2 LYS 26 OK 74 74 100 100 2.7-4.1 3.6=100 HE3 LYS 31 - HG3 LYS 19 far 5 95 5 - 4.4-25.7 HE2 LYS 31 - HG3 LYS 19 far 0 98 0 - 5.6-26.1 HE3 LYS 86 - HG3 LYS 19 far 0 100 0 - 5.8-35.8 HE3 LYS 26 - HG2 LYS 31 far 0 91 0 - 5.9-14.3 HE2 LYS 26 - HG2 LYS 31 far 0 91 0 - 6.5-13.4 HE2 LYS 31 - HG2 LYS 26 far 0 77 0 - 6.6-15.6 HE3 LYS 31 - HG2 LYS 26 far 0 74 0 - 7.0-15.5 HE3 LYS 24 - HG3 LYS 19 far 0 99 0 - 7.0-15.8 HE3 LYS 26 - HG3 LYS 19 far 0 95 0 - 7.3-20.0 HE3 LYS 36 - HG2 LYS 31 far 0 96 0 - 7.4-12.4 HE2 LYS 26 - HG3 LYS 19 far 0 95 0 - 7.6-21.0 HE3 LYS 19 - HG2 LYS 31 far 0 94 0 - 7.7-26.4 HE2 LYS 36 - HG2 LYS 31 far 0 97 0 - 8.0-11.8 HE2 LYS 19 - HG2 LYS 31 far 0 97 0 - 8.4-24.8 HE2 LYS 24 - HG3 LYS 19 far 0 100 0 - 8.4-15.9 HE3 LYS 19 - HG3 LYS 24 far 0 98 0 - 8.6-17.0 HE2 LYS 24 - HG2 LYS 31 far 0 97 0 - 9.0-23.6 HE2 LYS 19 - HG3 LYS 24 far 0 100 0 - 9.3-16.7 HE3 LYS 26 - HG3 LYS 24 far 0 96 0 - 9.3-11.4 HE2 LYS 26 - HG3 LYS 24 far 0 96 0 - 9.7-13.1 HE3 LYS 86 - HG3 LYS 24 far 0 100 0 - 9.8-26.1 HE3 LYS 36 - HG2 LYS 26 far 0 80 0 - 9.8-14.5 Violated in 0 structures by 0.00 A. Peak 532 from cnoeabs.peaks (2.96, 1.45, 24.62 ppm; 4.98 A): 8 out of 30 assignments used, quality = 1.00: * HE3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.3-3.9 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.1-3.9 3.8=100 HE3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-3.7 3.8=100 HE2 LYS 24 + HG3 LYS 24 OK 99 99 100 100 2.3-4.0 4.0=100 HE2 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.1-4.0 3.7=100 HE3 LYS 31 + HG2 LYS 31 OK 96 96 100 100 2.0-4.2 3.7=100 HE3 LYS 26 + HG2 LYS 26 OK 80 80 100 100 2.2-3.8 3.6=100 HE2 LYS 26 + HG2 LYS 26 OK 80 80 100 100 2.7-4.1 3.6=100 HE3 LYS 31 - HG3 LYS 19 far 5 99 5 - 4.4-25.7 HE2 LYS 31 - HG3 LYS 19 far 0 100 0 - 5.6-26.1 HE3 LYS 86 - HG3 LYS 19 far 0 100 0 - 5.8-35.8 HE3 LYS 26 - HG2 LYS 31 far 0 96 0 - 5.9-14.3 HE2 LYS 26 - HG2 LYS 31 far 0 96 0 - 6.5-13.4 HE2 LYS 31 - HG2 LYS 26 far 0 81 0 - 6.6-15.6 HE3 LYS 31 - HG2 LYS 26 far 0 80 0 - 7.0-15.5 HE3 LYS 24 - HG3 LYS 19 far 0 100 0 - 7.0-15.8 HE3 LYS 26 - HG3 LYS 19 far 0 99 0 - 7.3-20.0 HE3 LYS 36 - HG2 LYS 31 far 0 97 0 - 7.4-12.4 HE2 LYS 26 - HG3 LYS 19 far 0 99 0 - 7.6-21.0 HE3 LYS 19 - HG2 LYS 31 far 0 97 0 - 7.7-26.4 HE2 LYS 36 - HG2 LYS 31 far 0 97 0 - 8.0-11.8 HE2 LYS 19 - HG2 LYS 31 far 0 97 0 - 8.4-24.8 HE2 LYS 24 - HG3 LYS 19 far 0 99 0 - 8.4-15.9 HE3 LYS 19 - HG3 LYS 24 far 0 100 0 - 8.6-17.0 HE2 LYS 24 - HG2 LYS 31 far 0 96 0 - 9.0-23.6 HE2 LYS 19 - HG3 LYS 24 far 0 100 0 - 9.3-16.7 HE3 LYS 26 - HG3 LYS 24 far 0 99 0 - 9.3-11.4 HE2 LYS 26 - HG3 LYS 24 far 0 99 0 - 9.7-13.1 HE3 LYS 86 - HG3 LYS 24 far 0 100 0 - 9.8-26.1 HE3 LYS 36 - HG2 LYS 26 far 0 82 0 - 9.8-14.5 Violated in 0 structures by 0.00 A. Peak 534 from cnoeabs.peaks (8.37, 1.66, 28.90 ppm; 6.80 A): 12 out of 36 assignments used, quality = 1.00: * H LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.7-5.7 5.9=100 H LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.0-5.3 5.9=100 H LYS 26 + HD2 LYS 26 OK 100 100 100 100 3.5-5.5 5.7=100 H LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.6-4.9 5.7=100 H GLN 27 + HD2 LYS 26 OK 85 85 100 100 1.9-5.0 6263/3.5=77, 6262/3.5=77...(28) H GLN 27 + HD3 LYS 26 OK 84 84 100 100 2.6-5.8 6263/3.5=77, 6262/3.5=77...(24) H ASP 35 + HD2 LYS 36 OK 73 79 100 92 5.5-5.8 6387/6.1=74...(6) H ASP 35 + HD3 LYS 36 OK 72 79 100 92 6.5-6.9 6387/6.1=74...(5) H ASP 35 + HD2 LYS 26 OK 72 89 90 91 3.6-7.6 ~10800=78...(6) H LYS 19 + HD2 LYS 19 OK 66 66 100 100 1.9-2.2 6.2=100 H LYS 19 + HD3 LYS 19 OK 66 66 100 100 2.8-3.5 6.2=100 H ASP 35 + HD3 LYS 26 OK 50 88 60 96 4.2-8.2 3.0/10800=93...(5) H LYS 26 - HD3 LYS 24 far 5 100 5 - 7.2-9.4 H LYS 26 - HD3 LYS 31 far 5 100 5 - 7.3-15.9 H LYS 19 - HD3 LYS 31 far 4 83 5 - 5.2-25.6 H LYS 19 - HD2 LYS 31 far 4 83 5 - 6.4-25.6 H LYS 26 - HD2 LYS 31 far 0 100 0 - 7.4-15.7 H LYS 24 - HD3 LYS 31 far 0 100 0 - 7.5-19.6 H LYS 24 - HD2 LYS 31 far 0 100 0 - 7.5-20.9 H LYS 24 - HD2 LYS 26 far 0 100 0 - 7.7-11.3 H LYS 24 - HD3 LYS 26 far 0 100 0 - 7.8-11.3 H LYS 26 - HD2 LYS 24 far 0 100 0 - 7.9-10.1 H LYS 24 - HD2 LYS 19 far 0 87 0 - 7.9-13.4 H GLY 14 - HD2 LYS 19 far 0 86 0 - 8.0-14.9 H GLY 14 - HD3 LYS 19 far 0 86 0 - 8.0-16.4 H GLN 27 - HD2 LYS 31 far 0 85 0 - 8.0-12.6 H LYS 19 - HD3 LYS 24 far 0 83 0 - 8.5-14.5 H LYS 24 - HD3 LYS 19 far 0 87 0 - 8.5-13.4 H GLN 27 - HD3 LYS 31 far 0 85 0 - 8.5-11.7 H GLN 27 - HD3 LYS 24 far 0 85 0 - 9.1-12.2 H LYS 19 - HD2 LYS 24 far 0 83 0 - 9.1-14.2 H ASP 35 - HD3 LYS 31 far 0 89 0 - 9.3-12.3 H LYS 86 - HD3 LYS 19 far 0 46 0 - 9.4-41.0 H ASP 35 - HD2 LYS 31 far 0 89 0 - 9.6-12.3 H GLN 27 - HD2 LYS 24 far 0 85 0 - 9.9-13.0 H LYS 26 - HD2 LYS 36 far 0 94 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 535 from cnoeabs.peaks (4.33, 1.66, 28.90 ppm; 4.34 A increased from 3.86 A): 2 out of 20 assignments used, quality = 1.00: HA LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.0-4.5 482/3.5=79, 513/3.0=78...(31) * HA LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.6-4.8 482/3.5=79, 513/3.0=78...(31) HA2 GLY 75 - HD3 LYS 19 far 0 71 0 - 7.0-31.5 HA PRO 81 - HD3 LYS 19 far 0 87 0 - 7.1-37.7 HA2 GLY 75 - HD2 LYS 36 far 0 79 0 - 7.8-10.0 HA LYS 24 - HD2 LYS 26 far 0 100 0 - 7.9-11.1 HA2 GLY 75 - HD2 LYS 26 far 0 89 0 - 8.0-13.7 HA2 GLY 75 - HD3 LYS 36 far 0 79 0 - 8.0-9.7 HA PRO 81 - HD2 LYS 19 far 0 87 0 - 8.0-37.5 HA2 GLY 75 - HD3 LYS 26 far 0 88 0 - 8.1-12.3 HA TYR 76 - HD3 LYS 36 far 0 66 0 - 8.2-9.1 HA TYR 76 - HD2 LYS 36 far 0 66 0 - 8.4-9.8 HA2 GLY 75 - HD2 LYS 19 far 0 71 0 - 8.7-31.8 HA LYS 24 - HD3 LYS 26 far 0 100 0 - 8.7-11.1 HA2 GLY 75 - HD3 LYS 24 far 0 89 0 - 9.4-20.4 HA LEU 69 - HD3 LYS 36 far 0 93 0 - 9.4-11.2 HA PRO 81 - HD2 LYS 24 far 0 100 0 - 9.5-30.4 HA TYR 76 - HD2 LYS 26 far 0 76 0 - 9.7-14.0 HA LYS 24 - HD3 LYS 31 far 0 100 0 - 9.8-20.6 HA LYS 24 - HD2 LYS 31 far 0 100 0 - 9.9-21.9 Violated in 0 structures by 0.00 A. Peak 536 from cnoeabs.peaks (1.75, 1.66, 28.90 ppm; 4.35 A): 8 out of 44 assignments used, quality = 1.00: * HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.6-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.6-3.7 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.1-4.0 3.5=100 HB2 LYS 31 + HD2 LYS 31 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 2.3-3.9 3.5=100 HB2 LYS 19 + HD3 LYS 19 OK 86 86 100 100 2.0-3.5 3.9=100 HB2 LYS 19 + HD2 LYS 19 OK 86 86 100 100 2.2-3.2 3.9=100 HB2 LYS 31 - HD2 LYS 26 poor 20 100 20 - 3.7-10.0 HB2 LYS 31 - HD3 LYS 26 far 15 99 15 - 2.1-9.6 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.6-25.0 HB2 ARG 23 - HD3 LYS 31 far 5 99 5 - 4.8-19.6 HB2 LYS 19 - HD2 LYS 31 far 0 100 0 - 5.2-25.0 HB2 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.4-13.3 HG3 ARG 90 - HD3 LYS 19 far 0 75 0 - 5.6-37.6 HB2 ARG 23 - HD3 LYS 24 far 0 99 0 - 5.6-9.0 HB2 ARG 23 - HD2 LYS 31 far 0 99 0 - 5.7-20.8 HB2 ARG 23 - HD2 LYS 24 far 0 99 0 - 6.0-9.1 HB2 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.1-13.8 HG3 ARG 90 - HD2 LYS 19 far 0 75 0 - 6.5-37.7 HB2 ARG 23 - HD3 LYS 19 far 0 83 0 - 7.3-12.6 HB2 LYS 24 - HD2 LYS 19 far 0 87 0 - 7.3-16.3 HB2 ARG 23 - HD2 LYS 19 far 0 83 0 - 7.5-11.9 HB2 ARG 23 - HD3 LYS 26 far 0 98 0 - 7.5-14.0 HB ILE 80 - HD3 LYS 19 far 0 82 0 - 7.8-37.4 HB2 ARG 23 - HD2 LYS 26 far 0 99 0 - 7.8-13.1 HB2 LYS 19 - HD3 LYS 24 far 0 100 0 - 7.9-15.5 HB2 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.9-11.0 HB2 LYS 31 - HD3 LYS 19 far 0 86 0 - 8.2-24.6 HB2 LYS 19 - HD2 LYS 24 far 0 100 0 - 8.2-15.2 HB2 LYS 24 - HD3 LYS 19 far 0 87 0 - 8.2-16.3 HB2 LYS 31 - HD2 LYS 36 far 0 93 0 - 8.4-9.8 HB2 LYS 26 - HD3 LYS 24 far 0 100 0 - 8.4-11.9 HB2 LYS 24 - HD2 LYS 26 far 0 100 0 - 8.6-11.1 HB2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.8-21.3 HB ILE 80 - HD2 LYS 19 far 0 82 0 - 9.2-37.4 HB2 LYS 31 - HD2 LYS 19 far 0 86 0 - 9.2-25.0 HB2 LYS 31 - HD3 LYS 24 far 0 100 0 - 9.4-20.4 HB2 ARG 23 - HD2 LYS 36 far 0 91 0 - 9.5-21.1 HB2 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.6-12.5 HB2 LYS 31 - HD3 LYS 36 far 0 93 0 - 9.7-11.4 HG3 ARG 90 - HD3 LYS 24 far 0 92 0 - 9.8-25.6 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 9.9-20.2 HB2 LYS 24 - HD2 LYS 31 far 0 100 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 537 from cnoeabs.peaks (1.81, 1.66, 28.90 ppm; 4.22 A): 12 out of 60 assignments used, quality = 1.00: * HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.1-3.7 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.0-3.8 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.1-4.1 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.0-3.2 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.0-3.3 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.0-3.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 94 94 100 100 3.0-4.0 3.5=100 HB3 LYS 19 + HD3 LYS 19 OK 87 87 100 100 3.3-4.2 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 3.5-4.1 3.9=100 HB ILE 32 + HD2 LYS 26 OK 70 100 70 100 4.2-5.1 3.0/10763=37, ~10767=37...(49) HB ILE 32 + HD3 LYS 26 OK 35 99 35 100 3.4-6.5 10833/1.8=39, ~10766=32...(54) HB3 LYS 31 - HD3 LYS 26 far 10 100 10 - 3.5-10.7 HB3 LYS 19 - HD3 LYS 31 far 5 100 5 - 3.0-23.2 HB3 LYS 19 - HD2 LYS 31 far 5 100 5 - 3.4-23.3 HB3 LYS 31 - HD2 LYS 26 far 5 100 5 - 4.7-11.2 HB3 ARG 23 - HD3 LYS 24 far 5 98 5 - 4.2-8.9 HB3 ARG 23 - HD2 LYS 24 far 0 98 0 - 5.3-8.9 HB ILE 32 - HD2 LYS 36 far 0 93 0 - 5.9-6.8 HB3 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.9-12.3 HB2 LYS 36 - HD3 LYS 26 far 0 100 0 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 26 far 0 97 0 - 6.3-14.3 HB2 LYS 36 - HD2 LYS 26 far 0 100 0 - 6.3-11.2 HB3 LYS 19 - HD3 LYS 24 far 0 100 0 - 6.4-14.8 HB ILE 32 - HD3 LYS 31 far 0 100 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 98 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 98 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 100 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 100 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.8-12.2 HB3 ARG 23 - HD2 LYS 31 far 0 98 0 - 7.3-22.1 HB ILE 32 - HD3 LYS 36 far 0 93 0 - 7.6-8.5 HB3 LYS 31 - HD3 LYS 19 far 0 87 0 - 8.1-26.2 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.1-12.5 HB2 CYS 79 - HD3 LYS 19 far 0 55 0 - 8.3-33.8 HB2 LYS 36 - HD2 LYS 31 far 0 100 0 - 8.3-12.3 HB2 LYS 86 - HD3 LYS 19 far 0 68 0 - 8.4-38.5 HB3 LYS 31 - HD2 LYS 19 far 0 87 0 - 8.4-26.6 HB VAL 93 - HD3 LYS 19 far 0 76 0 - 8.4-40.5 HB3 ARG 23 - HD3 LYS 19 far 0 83 0 - 8.5-12.9 HB2 CYS 79 - HD2 LYS 24 far 0 71 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 71 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 100 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 19 far 0 87 0 - 8.8-16.9 HB3 LYS 24 - HD2 LYS 26 far 0 100 0 - 8.8-11.0 HB3 ARG 23 - HD2 LYS 19 far 0 83 0 - 8.9-12.7 HB VAL 93 - HD2 LYS 19 far 0 76 0 - 9.3-40.8 HB3 LYS 31 - HD2 LYS 36 far 0 94 0 - 9.3-10.5 HB2 LYS 86 - HD2 LYS 19 far 0 68 0 - 9.3-38.4 HB3 LYS 26 - HD3 LYS 24 far 0 100 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 100 0 - 9.5-19.2 HB3 LYS 26 - HD2 LYS 36 far 0 93 0 - 9.7-12.7 HB2 CYS 79 - HD3 LYS 36 far 0 62 0 - 9.8-11.3 HB2 CYS 79 - HD2 LYS 36 far 0 62 0 - 9.8-11.7 HB3 LYS 24 - HD3 LYS 19 far 0 87 0 - 9.8-17.0 HB3 ARG 23 - HD2 LYS 36 far 0 90 0 - 9.9-20.6 HB2 CYS 79 - HD3 LYS 24 far 0 71 0 - 9.9-24.7 HB2 CYS 79 - HD2 LYS 19 far 0 55 0 - 9.9-33.8 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 10.0-22.7 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 68 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 2.4-3.0 3.0=100 HG3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.6-3.0 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 2.2-3.0 2.9=100 HG2 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.7-2.9 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 75 75 100 100 2.2-2.7 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.3-3.0 3.0=100 QB ALA 29 - HD2 LYS 26 poor 20 100 20 - 2.5-6.4 QB ALA 29 - HD3 LYS 26 poor 20 100 20 - 2.3-7.8 QB ALA 16 - HD2 LYS 19 poor 14 55 25 - 3.5-7.5 HG3 LYS 31 - HD3 LYS 26 far 10 96 10 - 4.1-12.0 QB ALA 16 - HD3 LYS 19 far 6 55 10 - 4.2-7.8 HG2 LYS 19 - HD3 LYS 31 far 5 92 5 - 3.6-23.8 QB ALA 15 - HD3 LYS 19 far 4 86 5 - 3.7-10.4 QB ALA 15 - HD2 LYS 19 far 4 86 5 - 3.8-10.9 QB ALA 12 - HD2 LYS 31 far 4 83 5 - 4.5-32.1 QB ALA 16 - HD3 LYS 31 far 4 71 5 - 4.2-24.3 QB ALA 16 - HD2 LYS 31 far 0 71 0 - 4.6-24.2 QB ALA 28 - HD3 LYS 26 far 0 99 0 - 4.7-8.5 HG2 LYS 19 - HD2 LYS 31 far 0 92 0 - 4.9-23.9 QB ALA 28 - HD2 LYS 26 far 0 100 0 - 4.9-7.9 QB ALA 12 - HD3 LYS 31 far 0 83 0 - 5.2-32.1 HG3 LYS 31 - HD2 LYS 26 far 0 96 0 - 5.4-12.2 QB ALA 29 - HD2 LYS 36 far 0 94 0 - 6.1-9.0 HG3 LYS 31 - HD2 LYS 36 far 0 88 0 - 6.6-10.5 HG3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.9-14.3 QB ALA 12 - HD3 LYS 19 far 0 66 0 - 7.4-17.7 QB ALA 29 - HD3 LYS 36 far 0 94 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 100 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 100 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 80 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 92 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 80 0 - 7.7-26.9 QB ALA 28 - HD3 LYS 31 far 0 100 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 100 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 88 0 - 7.9-11.7 QB ALA 28 - HD2 LYS 24 far 0 100 0 - 8.1-15.1 QB ALA 28 - HD2 LYS 31 far 0 100 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 66 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 92 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 87 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 73 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 100 0 - 8.6-22.7 QB ALA 16 - HD2 LYS 24 far 0 71 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 100 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 100 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 94 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 94 0 - 9.1-12.8 QB ALA 12 - HD3 LYS 36 far 0 73 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 100 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 100 0 - 9.2-24.7 HG2 LYS 24 - HD3 LYS 26 far 0 100 0 - 9.3-12.6 HG3 LYS 31 - HD2 LYS 24 far 0 97 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 100 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 87 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 100 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 100 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 96 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 91 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 100 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 71 0 - 9.9-17.6 Violated in 0 structures by 0.00 A. Peak 539 from cnoeabs.peaks (1.45, 1.66, 28.90 ppm; 3.52 A): 12 out of 55 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 2.3-3.0 3.0=100 HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 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 2.2-3.0 2.9=100 HG3 LYS 19 + HD3 LYS 19 OK 87 87 100 100 2.3-2.8 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.9-3.0 3.0=100 HG3 LYS 36 + HD3 LYS 36 OK 71 71 100 100 2.7-2.9 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 71 71 100 100 2.8-3.0 3.0=100 HG13 ILE 32 + HD2 LYS 26 OK 63 99 65 98 2.3-5.4 ~10767=31, 892/10763=22...(52) HG13 ILE 32 + HD3 LYS 26 OK 24 98 25 97 3.4-5.5 1.8/10767=23, ~10833=16...(61) HG3 LYS 19 - HD3 LYS 31 far 5 100 5 - 3.5-23.9 HG2 LYS 31 - HD3 LYS 26 far 5 99 5 - 4.0-11.7 QB ALA 34 - HD2 LYS 26 far 0 65 0 - 4.2-7.0 HG3 LYS 19 - HD2 LYS 31 far 0 100 0 - 4.2-23.7 QB ALA 34 - HD3 LYS 26 far 0 64 0 - 4.4-7.4 HG2 LYS 26 - HD3 LYS 31 far 0 94 0 - 5.1-14.0 HG2 LYS 26 - HD2 LYS 31 far 0 95 0 - 5.2-13.9 HG2 LYS 31 - HD2 LYS 26 far 0 100 0 - 5.7-12.1 QB ALA 34 - HD2 LYS 36 far 0 57 0 - 5.8-6.1 HG13 ILE 32 - HD2 LYS 31 far 0 99 0 - 6.0-8.4 HG13 ILE 32 - HD3 LYS 31 far 0 99 0 - 6.2-9.0 QB ALA 34 - HD3 LYS 36 far 0 57 0 - 6.3-6.6 HG3 LYS 86 - HD3 LYS 19 far 0 46 0 - 6.8-37.6 HG3 LYS 19 - HD3 LYS 24 far 0 100 0 - 7.6-15.9 QB ALA 34 - HD3 LYS 19 far 0 50 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 65 0 - 7.9-10.9 HG2 LYS 86 - HD3 LYS 19 far 0 55 0 - 8.0-37.5 HG3 LYS 86 - HD2 LYS 19 far 0 46 0 - 8.0-37.5 HG3 LYS 24 - HD2 LYS 19 far 0 87 0 - 8.0-16.0 HG2 LYS 31 - HD2 LYS 36 far 0 93 0 - 8.0-10.5 QB ALA 34 - HD2 LYS 31 far 0 65 0 - 8.0-10.8 HG13 ILE 32 - HD2 LYS 36 far 0 92 0 - 8.1-8.6 HG3 LYS 36 - HD3 LYS 26 far 0 80 0 - 8.3-14.1 HG2 LYS 26 - HD3 LYS 24 far 0 94 0 - 8.3-12.6 HG3 LYS 19 - HD2 LYS 24 far 0 100 0 - 8.4-15.6 HG2 LYS 31 - HD3 LYS 19 far 0 86 0 - 8.5-25.2 HG2 LYS 31 - HD2 LYS 19 far 0 86 0 - 8.5-25.7 HG3 LYS 36 - HD2 LYS 26 far 0 80 0 - 8.6-12.6 QB ALA 34 - HD2 LYS 24 far 0 65 0 - 8.8-16.8 HG3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.0-20.4 QB ALA 34 - HD2 LYS 19 far 0 50 0 - 9.1-23.8 HG2 LYS 31 - HD3 LYS 36 far 0 93 0 - 9.2-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 85 0 - 9.2-12.8 HG3 LYS 24 - HD3 LYS 19 far 0 87 0 - 9.2-16.2 QB ALA 34 - HD3 LYS 24 far 0 65 0 - 9.2-15.8 HG2 LYS 86 - HD2 LYS 19 far 0 55 0 - 9.3-37.4 HG3 LYS 36 - HD3 LYS 31 far 0 80 0 - 9.4-14.3 HG2 LYS 26 - HD2 LYS 24 far 0 95 0 - 9.4-13.2 HG3 LYS 19 - HD2 LYS 26 far 0 100 0 - 9.5-19.8 HG3 LYS 36 - HD2 LYS 31 far 0 81 0 - 9.5-14.0 HG3 LYS 24 - HD3 LYS 31 far 0 100 0 - 9.8-22.2 HG13 ILE 32 - HD3 LYS 36 far 0 92 0 - 9.8-10.3 HG2 LYS 31 - HD2 LYS 24 far 0 100 0 - 10.0-23.6 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 64 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 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 98 98 100 100 2.3-3.0 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 HE2 LYS 26 + HD2 LYS 26 OK 96 96 100 100 2.2-2.9 3.0=100 HE3 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 2.3-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.4-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.5-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 86 86 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 86 86 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 83 83 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 83 83 100 100 2.2-3.0 2.9=100 HE3 LYS 19 - HD2 LYS 31 far 0 98 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 98 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 96 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 95 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 96 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 87 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 97 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 79 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 90 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 79 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 83 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 87 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 100 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 98 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 87 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 96 0 - 7.7-13.6 HE2 LYS 31 - HD3 LYS 36 far 0 90 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 83 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 96 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 87 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 86 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 96 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 85 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 87 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 86 0 - 8.6-36.9 HE3 LYS 24 - HD3 LYS 19 far 0 85 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 87 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 85 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 96 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 100 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 96 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 87 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 98 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 79 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 79 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 87 0 - 9.9-17.4 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 64 assignments used, quality = 1.00: * HE3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.3-3.0 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 HE2 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.2-2.9 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 2.3-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.5-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 93 93 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 93 93 100 100 2.4-3.0 3.0=100 HE3 LYS 19 + HD2 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 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 86 86 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 99 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 99 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 99 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 92 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 85 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 94 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 85 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 86 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 92 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 100 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 92 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 99 0 - 7.7-13.6 HE2 LYS 31 - HD3 LYS 36 far 0 94 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 86 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 99 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 92 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 87 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 99 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 87 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 92 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 87 0 - 8.6-36.9 HE3 LYS 24 - HD3 LYS 19 far 0 87 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 92 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 75 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 99 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 100 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 99 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 85 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 100 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 85 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 85 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 85 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 544 from cnoeabs.peaks (8.10, 1.66, 28.90 ppm; 4.94 A increased from 4.65 A): 2 out of 8 assignments used, quality = 1.00: H THR 25 + HD3 LYS 24 OK 100 100 100 100 2.9-5.3 6233/3.5=86, 6232/3.5=83...(11) * H THR 25 + HD2 LYS 24 OK 55 100 55 100 3.8-5.9 6233/3.5=86, 6232/3.5=83...(14) H THR 25 - HD3 LYS 26 far 0 100 0 - 6.1-8.6 H THR 25 - HD2 LYS 26 far 0 100 0 - 6.9-8.5 H THR 25 - HD2 LYS 19 far 0 87 0 - 7.6-16.2 H THR 25 - HD3 LYS 19 far 0 87 0 - 8.3-16.1 H THR 25 - HD2 LYS 31 far 0 100 0 - 9.4-19.0 H THR 25 - HD3 LYS 31 far 0 100 0 - 9.7-18.3 Violated in 0 structures by 0.00 A. Peak 545 from cnoeabs.peaks (8.37, 1.66, 28.90 ppm; 6.80 A): 12 out of 36 assignments used, quality = 1.00: * H LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.0-5.3 5.9=100 H LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.7-5.7 5.9=100 H LYS 26 + HD2 LYS 26 OK 100 100 100 100 3.5-5.5 5.7=100 H LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.6-4.9 5.7=100 H GLN 27 + HD2 LYS 26 OK 85 85 100 100 1.9-5.0 6263/3.5=77, 6262/3.5=77...(28) H GLN 27 + HD3 LYS 26 OK 84 84 100 100 2.6-5.8 6263/3.5=77, 6262/3.5=77...(24) H ASP 35 + HD2 LYS 26 OK 72 89 90 90 3.6-7.6 ~10800=78...(6) H ASP 35 + HD2 LYS 36 OK 71 77 100 92 5.5-5.8 6387/6.1=74...(6) H ASP 35 + HD3 LYS 36 OK 70 77 100 92 6.5-6.9 6387/6.1=74...(5) H LYS 19 + HD2 LYS 19 OK 68 68 100 100 1.9-2.2 6.2=100 H LYS 19 + HD3 LYS 19 OK 68 68 100 100 2.8-3.5 6.2=100 H ASP 35 + HD3 LYS 26 OK 51 88 60 96 4.2-8.2 3.0/10800=93...(5) H LYS 26 - HD3 LYS 24 far 5 100 5 - 7.2-9.4 H LYS 26 - HD3 LYS 31 far 5 100 5 - 7.3-15.9 H LYS 19 - HD3 LYS 31 far 4 83 5 - 5.2-25.6 H LYS 19 - HD2 LYS 31 far 4 83 5 - 6.4-25.6 H LYS 26 - HD2 LYS 31 far 0 100 0 - 7.4-15.7 H LYS 24 - HD3 LYS 31 far 0 100 0 - 7.5-19.6 H LYS 24 - HD2 LYS 31 far 0 100 0 - 7.5-20.9 H LYS 24 - HD2 LYS 26 far 0 100 0 - 7.7-11.3 H LYS 24 - HD3 LYS 26 far 0 100 0 - 7.8-11.3 H LYS 26 - HD2 LYS 24 far 0 100 0 - 7.9-10.1 H LYS 24 - HD2 LYS 19 far 0 90 0 - 7.9-13.4 H GLY 14 - HD2 LYS 19 far 0 89 0 - 8.0-14.9 H GLY 14 - HD3 LYS 19 far 0 89 0 - 8.0-16.4 H GLN 27 - HD2 LYS 31 far 0 85 0 - 8.0-12.6 H LYS 19 - HD3 LYS 24 far 0 83 0 - 8.5-14.5 H LYS 24 - HD3 LYS 19 far 0 90 0 - 8.5-13.4 H GLN 27 - HD3 LYS 31 far 0 85 0 - 8.5-11.7 H GLN 27 - HD3 LYS 24 far 0 85 0 - 9.1-12.2 H LYS 19 - HD2 LYS 24 far 0 83 0 - 9.1-14.2 H ASP 35 - HD3 LYS 31 far 0 89 0 - 9.3-12.3 H LYS 86 - HD3 LYS 19 far 0 48 0 - 9.4-41.0 H ASP 35 - HD2 LYS 31 far 0 89 0 - 9.6-12.3 H GLN 27 - HD2 LYS 24 far 0 85 0 - 9.9-13.0 H LYS 26 - HD2 LYS 36 far 0 92 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 546 from cnoeabs.peaks (4.33, 1.66, 28.90 ppm; 4.34 A increased from 3.86 A): 2 out of 20 assignments used, quality = 1.00: * HA LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.0-4.5 482/3.5=79, 513/3.0=78...(31) HA LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.6-4.8 482/3.5=79, 513/3.0=78...(31) HA2 GLY 75 - HD3 LYS 19 far 0 74 0 - 7.0-31.5 HA PRO 81 - HD3 LYS 19 far 0 89 0 - 7.1-37.7 HA2 GLY 75 - HD2 LYS 36 far 0 77 0 - 7.8-10.0 HA LYS 24 - HD2 LYS 26 far 0 100 0 - 7.9-11.1 HA2 GLY 75 - HD2 LYS 26 far 0 89 0 - 8.0-13.7 HA2 GLY 75 - HD3 LYS 36 far 0 77 0 - 8.0-9.7 HA PRO 81 - HD2 LYS 19 far 0 89 0 - 8.0-37.5 HA2 GLY 75 - HD3 LYS 26 far 0 88 0 - 8.1-12.3 HA TYR 76 - HD3 LYS 36 far 0 64 0 - 8.2-9.1 HA TYR 76 - HD2 LYS 36 far 0 64 0 - 8.4-9.8 HA2 GLY 75 - HD2 LYS 19 far 0 74 0 - 8.7-31.8 HA LYS 24 - HD3 LYS 26 far 0 100 0 - 8.7-11.1 HA2 GLY 75 - HD3 LYS 24 far 0 89 0 - 9.4-20.4 HA LEU 69 - HD3 LYS 36 far 0 91 0 - 9.4-11.2 HA PRO 81 - HD2 LYS 24 far 0 100 0 - 9.5-30.4 HA TYR 76 - HD2 LYS 26 far 0 76 0 - 9.7-14.0 HA LYS 24 - HD3 LYS 31 far 0 100 0 - 9.8-20.6 HA LYS 24 - HD2 LYS 31 far 0 100 0 - 9.9-21.9 Violated in 0 structures by 0.00 A. Peak 547 from cnoeabs.peaks (1.75, 1.66, 28.90 ppm; 4.35 A): 8 out of 44 assignments used, quality = 1.00: * HB2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.6-3.7 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.6-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.1-4.0 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 2.3-3.9 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.0-3.5 3.9=100 HB2 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.2-3.2 3.9=100 HB2 LYS 31 - HD2 LYS 26 poor 20 100 20 - 3.7-10.0 HB2 LYS 31 - HD3 LYS 26 far 15 100 15 - 2.1-9.6 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.6-25.0 HB2 ARG 23 - HD3 LYS 31 far 5 99 5 - 4.8-19.6 HB2 LYS 19 - HD2 LYS 31 far 0 100 0 - 5.2-25.0 HB2 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.4-13.3 HG3 ARG 90 - HD3 LYS 19 far 0 78 0 - 5.6-37.6 HB2 ARG 23 - HD3 LYS 24 far 0 99 0 - 5.6-9.0 HB2 ARG 23 - HD2 LYS 31 far 0 99 0 - 5.7-20.8 HB2 ARG 23 - HD2 LYS 24 far 0 99 0 - 6.0-9.1 HB2 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.1-13.8 HG3 ARG 90 - HD2 LYS 19 far 0 78 0 - 6.5-37.7 HB2 ARG 23 - HD3 LYS 19 far 0 86 0 - 7.3-12.6 HB2 LYS 24 - HD2 LYS 19 far 0 90 0 - 7.3-16.3 HB2 ARG 23 - HD2 LYS 19 far 0 86 0 - 7.5-11.9 HB2 ARG 23 - HD3 LYS 26 far 0 98 0 - 7.5-14.0 HB ILE 80 - HD3 LYS 19 far 0 84 0 - 7.8-37.4 HB2 ARG 23 - HD2 LYS 26 far 0 99 0 - 7.8-13.1 HB2 LYS 19 - HD3 LYS 24 far 0 100 0 - 7.9-15.5 HB2 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.9-11.0 HB2 LYS 31 - HD3 LYS 19 far 0 89 0 - 8.2-24.6 HB2 LYS 19 - HD2 LYS 24 far 0 100 0 - 8.2-15.2 HB2 LYS 24 - HD3 LYS 19 far 0 90 0 - 8.2-16.3 HB2 LYS 31 - HD2 LYS 36 far 0 91 0 - 8.4-9.8 HB2 LYS 26 - HD3 LYS 24 far 0 100 0 - 8.4-11.9 HB2 LYS 24 - HD2 LYS 26 far 0 100 0 - 8.6-11.1 HB2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.8-21.3 HB ILE 80 - HD2 LYS 19 far 0 84 0 - 9.2-37.4 HB2 LYS 31 - HD2 LYS 19 far 0 89 0 - 9.2-25.0 HB2 LYS 31 - HD3 LYS 24 far 0 100 0 - 9.4-20.4 HB2 ARG 23 - HD2 LYS 36 far 0 89 0 - 9.5-21.1 HB2 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.6-12.5 HB2 LYS 31 - HD3 LYS 36 far 0 91 0 - 9.7-11.4 HG3 ARG 90 - HD3 LYS 24 far 0 92 0 - 9.8-25.6 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 9.9-20.2 HB2 LYS 24 - HD2 LYS 31 far 0 100 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 548 from cnoeabs.peaks (1.81, 1.66, 28.90 ppm; 4.23 A): 12 out of 60 assignments used, quality = 1.00: * HB3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.1-3.7 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.1-4.1 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.0-3.8 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.0-3.2 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.0-3.3 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 91 91 100 100 2.0-3.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 91 91 100 100 3.0-4.0 3.5=100 HB3 LYS 19 + HD3 LYS 19 OK 89 89 100 100 3.3-4.2 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 89 89 100 100 3.5-4.1 3.9=100 HB ILE 32 + HD2 LYS 26 OK 70 100 70 100 4.2-5.1 3.0/10763=37, ~10767=37...(49) HB ILE 32 + HD3 LYS 26 OK 35 100 35 100 3.4-6.5 10833/1.8=39, ~10766=32...(54) HB3 LYS 31 - HD3 LYS 26 far 10 100 10 - 3.5-10.7 HB3 LYS 19 - HD3 LYS 31 far 5 100 5 - 3.0-23.2 HB3 LYS 19 - HD2 LYS 31 far 5 100 5 - 3.4-23.3 HB3 LYS 31 - HD2 LYS 26 far 5 100 5 - 4.7-11.2 HB3 ARG 23 - HD3 LYS 24 far 5 98 5 - 4.2-8.9 HB3 ARG 23 - HD2 LYS 24 far 0 98 0 - 5.3-8.9 HB ILE 32 - HD2 LYS 36 far 0 91 0 - 5.9-6.8 HB3 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.9-12.3 HB2 LYS 36 - HD3 LYS 26 far 0 100 0 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 26 far 0 98 0 - 6.3-14.3 HB2 LYS 36 - HD2 LYS 26 far 0 100 0 - 6.3-11.2 HB3 LYS 19 - HD3 LYS 24 far 0 100 0 - 6.4-14.8 HB ILE 32 - HD3 LYS 31 far 0 100 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 98 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 98 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 100 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 100 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.8-12.2 HB3 ARG 23 - HD2 LYS 31 far 0 98 0 - 7.3-22.1 HB ILE 32 - HD3 LYS 36 far 0 91 0 - 7.6-8.5 HB3 LYS 31 - HD3 LYS 19 far 0 89 0 - 8.1-26.2 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.1-12.5 HB2 CYS 79 - HD3 LYS 19 far 0 57 0 - 8.3-33.8 HB2 LYS 36 - HD2 LYS 31 far 0 100 0 - 8.3-12.3 HB2 LYS 86 - HD3 LYS 19 far 0 70 0 - 8.4-38.5 HB3 LYS 31 - HD2 LYS 19 far 0 89 0 - 8.4-26.6 HB VAL 93 - HD3 LYS 19 far 0 79 0 - 8.4-40.5 HB3 ARG 23 - HD3 LYS 19 far 0 85 0 - 8.5-12.9 HB2 CYS 79 - HD2 LYS 24 far 0 71 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 71 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 100 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 19 far 0 90 0 - 8.8-16.9 HB3 LYS 24 - HD2 LYS 26 far 0 100 0 - 8.8-11.0 HB3 ARG 23 - HD2 LYS 19 far 0 85 0 - 8.9-12.7 HB VAL 93 - HD2 LYS 19 far 0 79 0 - 9.3-40.8 HB3 LYS 31 - HD2 LYS 36 far 0 92 0 - 9.3-10.5 HB2 LYS 86 - HD2 LYS 19 far 0 70 0 - 9.3-38.4 HB3 LYS 26 - HD3 LYS 24 far 0 100 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 100 0 - 9.5-19.2 HB3 LYS 26 - HD2 LYS 36 far 0 91 0 - 9.7-12.7 HB2 CYS 79 - HD3 LYS 36 far 0 60 0 - 9.8-11.3 HB2 CYS 79 - HD2 LYS 36 far 0 60 0 - 9.8-11.7 HB3 LYS 24 - HD3 LYS 19 far 0 90 0 - 9.8-17.0 HB3 ARG 23 - HD2 LYS 36 far 0 88 0 - 9.9-20.6 HB2 CYS 79 - HD3 LYS 24 far 0 71 0 - 9.9-24.7 HB2 CYS 79 - HD2 LYS 19 far 0 57 0 - 9.9-33.8 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 10.0-22.7 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 68 assignments used, quality = 1.00: * HG2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.4-3.0 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 2.3-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.6-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 97 97 100 100 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 + HD3 LYS 36 OK 92 92 100 100 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.7-2.9 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 78 78 100 100 2.2-2.7 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.3-3.0 3.0=100 QB ALA 29 - HD2 LYS 26 poor 20 100 20 - 2.5-6.4 QB ALA 29 - HD3 LYS 26 poor 20 100 20 - 2.3-7.8 QB ALA 16 - HD2 LYS 19 poor 14 57 25 - 3.5-7.5 HG3 LYS 31 - HD3 LYS 26 far 10 96 10 - 4.1-12.0 QB ALA 16 - HD3 LYS 19 far 6 57 10 - 4.2-7.8 HG2 LYS 19 - HD3 LYS 31 far 5 92 5 - 3.6-23.8 QB ALA 15 - HD3 LYS 19 far 4 89 5 - 3.7-10.4 QB ALA 15 - HD2 LYS 19 far 4 89 5 - 3.8-10.9 QB ALA 12 - HD2 LYS 31 far 4 83 5 - 4.5-32.1 QB ALA 16 - HD3 LYS 31 far 4 71 5 - 4.2-24.3 QB ALA 16 - HD2 LYS 31 far 0 71 0 - 4.6-24.2 QB ALA 28 - HD3 LYS 26 far 0 100 0 - 4.7-8.5 HG2 LYS 19 - HD2 LYS 31 far 0 92 0 - 4.9-23.9 QB ALA 28 - HD2 LYS 26 far 0 100 0 - 4.9-7.9 QB ALA 12 - HD3 LYS 31 far 0 83 0 - 5.2-32.1 HG3 LYS 31 - HD2 LYS 26 far 0 97 0 - 5.4-12.2 QB ALA 29 - HD2 LYS 36 far 0 92 0 - 6.1-9.0 HG3 LYS 31 - HD2 LYS 36 far 0 86 0 - 6.6-10.5 HG3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.9-14.3 QB ALA 12 - HD3 LYS 19 far 0 68 0 - 7.4-17.7 QB ALA 29 - HD3 LYS 36 far 0 92 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 100 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 100 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 83 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 92 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 83 0 - 7.7-26.9 QB ALA 28 - HD3 LYS 31 far 0 100 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 100 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 86 0 - 7.9-11.7 QB ALA 28 - HD2 LYS 24 far 0 100 0 - 8.1-15.1 QB ALA 28 - HD2 LYS 31 far 0 100 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 68 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 92 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 90 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 71 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 100 0 - 8.6-22.7 QB ALA 16 - HD2 LYS 24 far 0 71 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 100 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 100 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 92 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 92 0 - 9.1-12.8 QB ALA 12 - HD3 LYS 36 far 0 71 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 100 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 100 0 - 9.2-24.7 HG2 LYS 24 - HD3 LYS 26 far 0 100 0 - 9.3-12.6 HG3 LYS 31 - HD2 LYS 24 far 0 96 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 100 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 90 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 100 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 100 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 97 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 91 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 100 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 71 0 - 9.9-17.6 Violated in 0 structures by 0.00 A. Peak 550 from cnoeabs.peaks (1.45, 1.66, 28.90 ppm; 3.52 A): 12 out of 55 assignments used, quality = 1.00: * HG3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.4-3.0 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 2.2-3.0 2.9=100 HG3 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.3-2.8 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.9-3.0 3.0=100 HG3 LYS 36 + HD3 LYS 36 OK 69 69 100 100 2.7-2.9 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 69 69 100 100 2.8-3.0 3.0=100 HG13 ILE 32 + HD2 LYS 26 OK 63 99 65 98 2.3-5.4 ~10767=31, 892/10763=22...(52) HG13 ILE 32 + HD3 LYS 26 OK 24 99 25 97 3.4-5.5 1.8/10767=22, ~10833=16...(61) HG3 LYS 19 - HD3 LYS 31 far 5 100 5 - 3.5-23.9 HG2 LYS 31 - HD3 LYS 26 far 5 100 5 - 4.0-11.7 QB ALA 34 - HD2 LYS 26 far 0 65 0 - 4.2-7.0 HG3 LYS 19 - HD2 LYS 31 far 0 100 0 - 4.2-23.7 QB ALA 34 - HD3 LYS 26 far 0 65 0 - 4.4-7.4 HG2 LYS 26 - HD3 LYS 31 far 0 95 0 - 5.1-14.0 HG2 LYS 26 - HD2 LYS 31 far 0 94 0 - 5.2-13.9 HG2 LYS 31 - HD2 LYS 26 far 0 100 0 - 5.7-12.1 QB ALA 34 - HD2 LYS 36 far 0 55 0 - 5.8-6.1 HG13 ILE 32 - HD2 LYS 31 far 0 99 0 - 6.0-8.4 HG13 ILE 32 - HD3 LYS 31 far 0 99 0 - 6.2-9.0 QB ALA 34 - HD3 LYS 36 far 0 55 0 - 6.3-6.6 HG3 LYS 86 - HD3 LYS 19 far 0 48 0 - 6.8-37.6 HG3 LYS 19 - HD3 LYS 24 far 0 100 0 - 7.6-15.9 QB ALA 34 - HD3 LYS 19 far 0 53 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 65 0 - 7.9-10.9 HG2 LYS 86 - HD3 LYS 19 far 0 57 0 - 8.0-37.5 HG3 LYS 86 - HD2 LYS 19 far 0 48 0 - 8.0-37.5 HG3 LYS 24 - HD2 LYS 19 far 0 90 0 - 8.0-16.0 HG2 LYS 31 - HD2 LYS 36 far 0 91 0 - 8.0-10.5 QB ALA 34 - HD2 LYS 31 far 0 65 0 - 8.0-10.8 HG13 ILE 32 - HD2 LYS 36 far 0 89 0 - 8.1-8.6 HG3 LYS 36 - HD3 LYS 26 far 0 80 0 - 8.3-14.1 HG2 LYS 26 - HD3 LYS 24 far 0 95 0 - 8.3-12.6 HG3 LYS 19 - HD2 LYS 24 far 0 100 0 - 8.4-15.6 HG2 LYS 31 - HD3 LYS 19 far 0 89 0 - 8.5-25.2 HG2 LYS 31 - HD2 LYS 19 far 0 89 0 - 8.5-25.7 HG3 LYS 36 - HD2 LYS 26 far 0 81 0 - 8.6-12.6 QB ALA 34 - HD2 LYS 24 far 0 65 0 - 8.8-16.8 HG3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.0-20.4 QB ALA 34 - HD2 LYS 19 far 0 53 0 - 9.1-23.8 HG2 LYS 31 - HD3 LYS 36 far 0 91 0 - 9.2-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 83 0 - 9.2-12.8 HG3 LYS 24 - HD3 LYS 19 far 0 90 0 - 9.2-16.2 QB ALA 34 - HD3 LYS 24 far 0 65 0 - 9.2-15.8 HG2 LYS 86 - HD2 LYS 19 far 0 57 0 - 9.3-37.4 HG3 LYS 36 - HD3 LYS 31 far 0 81 0 - 9.4-14.3 HG2 LYS 26 - HD2 LYS 24 far 0 94 0 - 9.4-13.2 HG3 LYS 19 - HD2 LYS 26 far 0 100 0 - 9.5-19.8 HG3 LYS 36 - HD2 LYS 31 far 0 80 0 - 9.5-14.0 HG3 LYS 24 - HD3 LYS 31 far 0 100 0 - 9.8-22.2 HG13 ILE 32 - HD3 LYS 36 far 0 89 0 - 9.8-10.3 HG2 LYS 31 - HD2 LYS 24 far 0 100 0 - 10.0-23.6 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 64 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 2.3-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 96 96 100 100 2.2-2.9 3.0=100 HE3 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 2.3-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 96 96 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.4-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 90 90 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 90 90 100 100 2.5-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HE3 LYS 19 - HD2 LYS 31 far 0 98 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 98 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 96 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 95 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 96 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 84 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 98 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 82 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 88 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 82 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 85 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 84 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 100 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 98 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 84 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 96 0 - 7.7-13.6 HE2 LYS 31 - HD3 LYS 36 far 0 88 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 85 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 96 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 84 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 89 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 96 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 88 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 84 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 89 0 - 8.6-36.9 HE3 LYS 24 - HD3 LYS 19 far 0 88 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 84 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 83 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 96 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 100 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 96 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 90 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 98 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 82 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 82 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 90 0 - 9.9-17.4 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 64 assignments used, quality = 1.00: * HE3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.2-2.9 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 2.3-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + 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 HE2 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.5-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 91 91 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 91 91 100 100 2.4-3.0 3.0=100 HE3 LYS 19 + HD2 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 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 99 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 99 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 99 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 90 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 88 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 91 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 88 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 89 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 90 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 100 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 90 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 99 0 - 7.7-13.6 HE2 LYS 31 - HD3 LYS 36 far 0 91 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 89 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 99 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 90 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 89 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 99 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 90 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 90 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 89 0 - 8.6-36.9 HE3 LYS 24 - HD3 LYS 19 far 0 90 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 90 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 73 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 99 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 100 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 99 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 88 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 100 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 88 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 88 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 88 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 555 from cnoeabs.peaks (8.10, 1.66, 28.90 ppm; 4.94 A increased from 4.65 A): 2 out of 8 assignments used, quality = 1.00: * H THR 25 + HD3 LYS 24 OK 100 100 100 100 2.9-5.3 6233/3.5=86, 6232/3.5=83...(11) H THR 25 + HD2 LYS 24 OK 55 100 55 100 3.8-5.9 6233/3.5=86, 6232/3.5=83...(14) H THR 25 - HD3 LYS 26 far 0 100 0 - 6.1-8.6 H THR 25 - HD2 LYS 26 far 0 100 0 - 6.9-8.5 H THR 25 - HD2 LYS 19 far 0 90 0 - 7.6-16.2 H THR 25 - HD3 LYS 19 far 0 90 0 - 8.3-16.1 H THR 25 - HD2 LYS 31 far 0 100 0 - 9.4-19.0 H THR 25 - HD3 LYS 31 far 0 100 0 - 9.7-18.3 Violated in 0 structures by 0.00 A. Peak 558 from cnoeabs.peaks (1.75, 2.96, 41.80 ppm; 5.29 A): 10 out of 44 assignments used, quality = 1.00: * HB2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 3.6-5.5 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.9-4.6 5.1=100 HB2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-5.4 5.1=100 HB ILE 80 + HE3 LYS 86 OK 96 96 100 100 2.0-5.4 ~11777=64, ~11877=63...(20) HB2 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.5-4.5 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 93 93 100 100 2.4-5.5 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 86 86 100 100 3.5-5.0 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 86 86 100 100 4.2-5.5 4.8=100 HB2 LYS 31 + HE3 LYS 31 OK 86 86 100 100 3.0-5.1 4.8=100 HG3 ARG 90 + HE3 LYS 86 OK 50 90 60 93 3.7-8.7 9651/9655=70...(6) HB2 LYS 31 - HE2 LYS 26 far 13 86 15 - 4.9-11.4 HB2 LYS 31 - HE3 LYS 26 far 9 86 10 - 4.4-12.1 HB2 ARG 23 - HE2 LYS 24 far 5 99 5 - 5.6-10.2 HG3 ARG 90 - HE2 LYS 19 far 5 91 5 - 4.9-38.8 HB2 ARG 23 - HE2 LYS 31 far 5 91 5 - 4.8-21.9 HB2 ARG 23 - HE3 LYS 31 far 4 83 5 - 4.8-21.0 HB2 ARG 23 - HE3 LYS 26 far 4 83 5 - 5.2-11.7 HB2 ARG 23 - HE2 LYS 26 far 4 83 5 - 5.5-13.0 HG3 ARG 90 - HE3 LYS 19 far 4 82 5 - 4.1-39.0 HB2 ARG 23 - HE3 LYS 24 far 0 96 0 - 6.2-9.9 HB2 LYS 19 - HE3 LYS 31 far 0 86 0 - 6.4-27.0 HB ILE 80 - HE3 LYS 19 far 0 89 0 - 6.5-38.3 HB2 LYS 26 - HE3 LYS 31 far 0 86 0 - 6.6-15.7 HB2 LYS 19 - HE3 LYS 24 far 0 98 0 - 6.8-15.7 HB2 LYS 26 - HE2 LYS 31 far 0 94 0 - 6.8-15.8 HB2 LYS 19 - HE2 LYS 31 far 0 94 0 - 7.3-27.4 HB2 LYS 24 - HE3 LYS 26 far 0 87 0 - 7.4-9.9 HB2 LYS 24 - HE3 LYS 19 far 0 94 0 - 7.5-17.7 HB2 LYS 19 - HE2 LYS 24 far 0 100 0 - 7.8-15.4 HB2 LYS 24 - HE2 LYS 19 far 0 100 0 - 7.8-17.5 HB2 LYS 31 - HE3 LYS 19 far 0 93 0 - 7.9-25.8 HB2 ARG 23 - HE3 LYS 19 far 0 91 0 - 7.9-12.3 HB2 ARG 23 - HE3 LYS 86 far 0 97 0 - 8.0-27.8 HB ILE 80 - HE2 LYS 19 far 0 97 0 - 8.2-38.1 HB2 LYS 19 - HE3 LYS 86 far 0 99 0 - 8.3-35.8 HB2 LYS 24 - HE2 LYS 26 far 0 87 0 - 8.3-10.9 HB2 LYS 31 - HE2 LYS 24 far 0 100 0 - 8.4-21.1 HB2 LYS 31 - HE2 LYS 19 far 0 99 0 - 8.4-24.2 HB2 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.4-11.9 HB2 ARG 23 - HE2 LYS 19 far 0 98 0 - 8.5-13.2 HB2 LYS 19 - HE3 LYS 26 far 0 86 0 - 8.5-20.9 HB2 LYS 31 - HE2 LYS 36 far 0 100 0 - 8.8-11.9 HB2 LYS 19 - HE2 LYS 26 far 0 86 0 - 9.3-21.9 HB2 LYS 31 - HE3 LYS 24 far 0 98 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 559 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 6.06 A): 13 out of 63 assignments used, quality = 1.00: * HB3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-5.0 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.5-4.5 4.9=100 HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 3.3-5.4 5.1=100 HB3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.4-4.6 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.8-4.2 4.9=100 HB3 LYS 31 + HE2 LYS 31 OK 94 94 100 100 2.0-5.3 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 94 94 100 100 3.2-5.4 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 87 87 100 100 2.2-5.0 4.8=100 HB ILE 32 + HE2 LYS 26 OK 86 86 100 100 4.9-6.6 2.1/10766=76, 10825=68...(43) HB3 LYS 26 + HE2 LYS 26 OK 86 86 100 100 3.6-5.0 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 86 86 100 100 3.7-4.6 4.8=100 HB2 LYS 86 + HE3 LYS 86 OK 83 83 100 100 1.8-3.6 4.9=100 HB ILE 32 + HE3 LYS 26 OK 26 86 30 100 4.6-7.5 ~10766=73, ~10840=73...(55) HB3 ARG 23 - HE2 LYS 24 poor 20 98 20 - 4.7-9.9 HB3 ARG 23 - HE3 LYS 24 poor 19 95 20 - 6.1-9.9 HB3 LYS 31 - HE3 LYS 26 far 9 87 10 - 6.0-13.3 HB3 LYS 31 - HE2 LYS 26 far 9 87 10 - 6.3-12.4 HB3 ARG 23 - HE2 LYS 26 far 8 83 10 - 4.6-12.5 HB3 LYS 19 - HE3 LYS 24 far 5 98 5 - 5.6-14.9 HB3 LYS 19 - HE2 LYS 31 far 5 94 5 - 5.6-25.7 HB ILE 32 - HE2 LYS 31 far 5 93 5 - 6.3-10.3 HB3 ARG 23 - HE2 LYS 31 far 4 90 5 - 6.2-23.1 HB3 LYS 19 - HE3 LYS 31 far 4 87 5 - 4.9-25.2 HB2 LYS 36 - HE2 LYS 26 far 4 86 5 - 5.4-11.8 HB3 LYS 26 - HE3 LYS 31 far 4 86 5 - 6.5-14.0 HB3 ARG 23 - HE3 LYS 26 far 4 83 5 - 3.7-11.8 HB3 ARG 23 - HE3 LYS 31 far 4 83 5 - 6.4-22.1 HB3 LYS 19 - HE2 LYS 24 far 0 100 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 93 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 69 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 99 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 98 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 99 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 86 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 75 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 86 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 84 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 87 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 100 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 92 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 87 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 94 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 87 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 94 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 62 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 84 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 87 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 86 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 92 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 55 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 97 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 94 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 98 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 90 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 100 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 55 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 97 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 99 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 70 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 67 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 560 from cnoeabs.peaks (1.38, 2.96, 41.80 ppm; 5.27 A): 11 out of 72 assignments used, quality = 1.00: * HG2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.1-4.1 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.1-4.1 4.0=100 HG2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 98 98 100 100 3.1-4.2 4.0=100 HG2 LYS 19 + HE2 LYS 19 OK 91 91 100 100 2.8-3.7 3.8=100 HG3 LYS 31 + HE2 LYS 31 OK 88 88 100 100 2.1-4.2 3.7=100 HG3 LYS 26 + HE3 LYS 26 OK 87 87 100 100 2.0-3.4 3.6=100 HG3 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.3-3.8 3.6=100 HG2 LYS 19 + HE3 LYS 19 OK 82 82 100 100 2.1-4.1 3.8=100 HG3 LYS 31 + HE3 LYS 31 OK 80 80 100 100 2.0-4.0 3.7=100 QB ALA 29 + HE2 LYS 26 OK 25 87 40 72 3.3-7.6 10739/9008=39...(13) QB ALA 29 - HE3 LYS 26 poor 17 87 20 - 4.1-8.3 QB ALA 12 - HE2 LYS 31 far 7 73 10 - 4.1-33.9 QB ALA 15 - HE3 LYS 86 far 5 99 5 - 5.8-32.2 HG2 LYS 19 - HE3 LYS 31 far 4 75 5 - 4.6-26.0 QB ALA 12 - HE3 LYS 31 far 3 66 5 - 3.6-33.9 QB ALA 16 - HE2 LYS 31 far 3 62 5 - 3.9-25.9 QB ALA 16 - HE3 LYS 31 far 3 55 5 - 5.2-26.1 QB ALA 16 - HE2 LYS 19 lone 2 70 45 6 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 2 62 40 6 2.7-9.0 QB ALA 15 - HE2 LYS 19 lone 1 100 35 2 3.9-11.9 QB ALA 15 - HE3 LYS 19 lone 0 94 25 1 4.1-12.5 QB ALA 28 - HE2 LYS 26 far 0 86 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 80 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 82 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 80 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 86 0 - 6.1-9.5 HG3 LYS 31 - HE3 LYS 36 far 0 93 0 - 6.3-11.5 QB ALA 12 - HE2 LYS 19 far 0 82 0 - 6.4-19.1 QB ALA 12 - HE3 LYS 19 far 0 73 0 - 6.5-19.6 HG2 LYS 19 - HE3 LYS 24 far 0 88 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 96 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 90 0 - 6.8-34.9 QB ALA 29 - HE3 LYS 36 far 0 98 0 - 6.9-10.3 QB ALA 29 - HE2 LYS 36 far 0 100 0 - 7.1-9.7 HG2 LYS 36 - HE2 LYS 26 far 0 87 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 94 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 86 0 - 7.5-22.4 QB ALA 29 - HE3 LYS 31 far 0 87 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 88 0 - 7.7-28.1 QB ALA 28 - HE2 LYS 31 far 0 93 0 - 7.8-11.0 QB ALA 28 - HE3 LYS 24 far 0 98 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 92 0 - 8.0-15.1 QB ALA 28 - HE3 LYS 31 far 0 86 0 - 8.0-11.2 QB ALA 12 - HE3 LYS 86 far 0 81 0 - 8.1-32.9 HG3 LYS 31 - HE2 LYS 24 far 0 97 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 94 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 86 0 - 8.3-23.7 HG3 LYS 26 - HE3 LYS 31 far 0 87 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 96 0 - 8.6-26.5 HG2 LYS 24 - HE3 LYS 26 far 0 87 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 75 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 100 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 87 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 75 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.1-20.4 QB ALA 16 - HE2 LYS 24 far 0 71 0 - 9.1-18.0 QB ALA 15 - HE2 LYS 31 far 0 94 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 94 0 - 9.3-15.5 QB ALA 12 - HE2 LYS 36 far 0 82 0 - 9.4-36.4 QB ALA 16 - HE3 LYS 86 far 0 69 0 - 9.6-34.1 HG2 LYS 36 - HE2 LYS 31 far 0 94 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 94 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.7-15.4 QB ALA 12 - HE3 LYS 36 far 0 78 0 - 9.7-37.6 HG3 LYS 26 - HE3 LYS 19 far 0 94 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 93 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 87 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 98 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 100 0 - 9.9-12.6 HG2 LYS 24 - HE3 LYS 31 far 0 87 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 561 from cnoeabs.peaks (1.45, 2.96, 41.80 ppm; 6.65 A): 15 out of 59 assignments used, quality = 1.00: * HG3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.3-4.0 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-3.9 3.8=100 HG3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.9 4.0=100 HG3 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.2-3.7 3.8=100 HG2 LYS 31 + HE2 LYS 31 OK 93 93 100 100 2.1-4.0 3.7=100 HG2 LYS 31 + HE3 LYS 31 OK 86 86 100 100 2.0-4.2 3.7=100 HG13 ILE 32 + HE2 LYS 26 OK 84 84 100 100 3.5-6.7 ~10767=81, 3.2/10766=75...(47) HG3 LYS 36 + HE2 LYS 36 OK 80 80 100 100 2.0-3.5 4.0=100 HG2 LYS 26 + HE3 LYS 26 OK 78 78 100 100 2.2-3.8 3.6=100 HG2 LYS 26 + HE2 LYS 26 OK 78 78 100 100 2.7-4.1 3.6=100 HG3 LYS 36 + HE3 LYS 36 OK 76 76 100 100 2.0-3.5 4.0=100 HG2 LYS 86 + HE3 LYS 86 OK 69 69 100 100 2.5-3.7 3.7=100 HG13 ILE 32 + HE3 LYS 26 OK 67 84 80 100 4.5-7.4 ~10767=81, ~10766=70...(61) HG3 LYS 86 + HE3 LYS 86 OK 58 58 100 100 2.4-3.8 3.7=100 QB ALA 34 + HE2 LYS 26 OK 21 50 100 42 3.1-7.1 908/10766=32, 6364/865=8...(4) HG13 ILE 32 - HE2 LYS 31 far 14 92 15 - 6.7-10.1 HG2 LYS 31 - HE2 LYS 26 far 13 86 15 - 6.5-13.4 HG3 LYS 19 - HE2 LYS 31 far 9 94 10 - 5.6-26.1 QB ALA 34 - HE3 LYS 26 lone 9 50 95 18 4.0-7.8 908/10766=8, 6364/865=4...(4) HG2 LYS 31 - HE3 LYS 26 far 9 86 10 - 5.9-14.3 HG2 LYS 26 - HE2 LYS 31 far 9 85 10 - 6.6-15.6 HG13 ILE 32 - HE3 LYS 31 far 8 84 10 - 6.9-10.1 HG2 LYS 26 - HE3 LYS 31 far 8 78 10 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 86 far 5 99 5 - 5.8-35.8 HG3 LYS 19 - HE3 LYS 24 far 5 98 5 - 7.0-15.8 HG3 LYS 19 - HE3 LYS 31 far 4 87 5 - 4.4-25.7 HG3 LYS 36 - HE2 LYS 26 far 3 64 5 - 7.1-13.4 HG2 LYS 86 - HE3 LYS 19 far 3 62 5 - 6.8-38.5 HG3 LYS 86 - HE2 LYS 19 far 3 59 5 - 6.8-38.4 HG3 LYS 86 - HE3 LYS 19 far 3 52 5 - 5.3-38.4 QB ALA 34 - HE2 LYS 19 far 0 64 0 - 7.3-24.1 HG3 LYS 19 - HE3 LYS 26 far 0 87 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.4-12.4 QB ALA 34 - HE2 LYS 31 far 0 57 0 - 7.5-11.5 HG3 LYS 19 - HE2 LYS 26 far 0 87 0 - 7.6-21.0 QB ALA 34 - HE3 LYS 36 far 0 61 0 - 7.6-8.5 HG2 LYS 31 - HE3 LYS 19 far 0 93 0 - 7.7-26.4 QB ALA 34 - HE2 LYS 36 far 0 65 0 - 7.9-8.4 HG2 LYS 31 - HE2 LYS 36 far 0 100 0 - 8.0-11.8 QB ALA 34 - HE3 LYS 31 far 0 50 0 - 8.0-12.3 HG2 LYS 86 - HE2 LYS 19 far 0 70 0 - 8.4-38.3 HG2 LYS 31 - HE2 LYS 19 far 0 99 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 100 0 - 8.4-15.9 QB ALA 34 - HE3 LYS 19 far 0 57 0 - 8.5-24.4 HG3 LYS 24 - HE3 LYS 19 far 0 94 0 - 8.6-17.0 QB ALA 34 - HE3 LYS 86 far 0 64 0 - 8.7-11.0 HG3 LYS 36 - HE3 LYS 26 far 0 64 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 71 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 100 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 96 0 - 9.0-11.0 HG3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 87 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 99 0 - 9.4-11.1 QB ALA 92 - HE3 LYS 86 far 0 89 0 - 9.6-11.3 HG3 LYS 24 - HE2 LYS 26 far 0 87 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 64 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 99 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 91 0 - 9.8-14.5 QB ALA 34 - HE3 LYS 24 far 0 61 0 - 9.9-15.9 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 74 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 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.8-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 98 98 100 100 2.4-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 95 95 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 95 95 100 100 2.5-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 95 95 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 95 95 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HE2 LYS 31 OK 94 94 100 100 2.3-3.0 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 + HE2 LYS 26 OK 87 87 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 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 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 87 87 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 87 87 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HE2 LYS 26 OK 86 86 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 86 86 100 100 2.3-3.0 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 94 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 94 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 94 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 94 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 87 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 86 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 87 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 83 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 94 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 79 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 90 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 79 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 87 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 71 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 83 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 99 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 94 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 83 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 87 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 90 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 87 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 87 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 83 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 94 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 87 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 71 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 92 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 83 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 94 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 92 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 83 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 87 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 64 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 87 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 96 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 72 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 94 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 79 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 79 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 96 0 - 9.9-17.4 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 74 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 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.8-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.4-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.3-3.0 2.9=100 HD2 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.5-3.0 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 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HD2 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 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 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 87 87 100 100 2.3-3.0 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 94 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 94 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 94 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 94 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 87 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 87 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 87 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 82 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 94 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 80 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 89 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 80 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 88 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 74 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 82 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 99 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 94 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 82 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 87 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 89 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 88 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 87 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 82 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 95 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 87 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 74 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 93 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 82 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 95 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 93 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 82 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 87 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 66 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 87 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 97 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 75 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 94 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 80 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 80 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 97 0 - 9.9-17.4 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): 10 out of 44 assignments used, quality = 1.00: * HB2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-5.4 5.1=100 HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.5-4.5 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.9-4.6 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.4-5.5 4.8=100 HB2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 3.6-5.5 5.1=100 HB2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 3.5-5.0 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 4.2-5.5 4.8=100 HB2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 3.0-5.1 4.8=100 HB ILE 80 + HE3 LYS 86 OK 97 97 100 100 2.0-5.4 ~11777=89, ~11877=88...(20) HG3 ARG 90 + HE3 LYS 86 OK 77 91 85 99 3.7-8.7 9651/9655=92...(6) HB2 ARG 23 - HE3 LYS 24 poor 20 99 20 - 6.2-9.9 HB2 ARG 23 - HE2 LYS 24 poor 13 96 30 44 5.6-10.2 4.2/2703=9, ~3938=6...(19) HB2 ARG 23 - HE2 LYS 26 far 10 96 10 - 5.5-13.0 HB2 LYS 19 - HE3 LYS 24 far 5 100 5 - 6.8-15.7 HB2 LYS 26 - HE2 LYS 31 far 5 100 5 - 6.8-15.8 HB2 ARG 23 - HE2 LYS 31 far 5 98 5 - 4.8-21.9 HB2 LYS 19 - HE3 LYS 31 far 5 98 5 - 6.4-27.0 HB2 LYS 26 - HE3 LYS 31 far 5 98 5 - 6.6-15.7 HB ILE 80 - HE3 LYS 19 far 5 97 5 - 6.5-38.3 HB2 ARG 23 - HE3 LYS 31 far 5 96 5 - 4.8-21.0 HB2 ARG 23 - HE3 LYS 26 far 5 96 5 - 5.2-11.7 HG3 ARG 90 - HE3 LYS 19 far 5 91 5 - 4.1-39.0 HG3 ARG 90 - HE2 LYS 19 far 5 91 5 - 4.9-38.8 HB2 LYS 31 - HE3 LYS 26 lone 2 98 25 8 4.4-12.1 6331/6337=2, 294/3.0=1 HB2 LYS 31 - HE2 LYS 26 lone 2 98 25 8 4.9-11.4 6331/6338=2, 294/3.0=1 HB2 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.3-27.4 HB2 LYS 24 - HE3 LYS 26 far 0 98 0 - 7.4-9.9 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 7.5-17.7 HB2 LYS 19 - HE2 LYS 24 far 0 98 0 - 7.8-15.4 HB2 LYS 24 - HE2 LYS 19 far 0 100 0 - 7.8-17.5 HB2 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.9-25.8 HB2 ARG 23 - HE3 LYS 19 far 0 98 0 - 7.9-12.3 HB2 ARG 23 - HE3 LYS 86 far 0 98 0 - 8.0-27.8 HB ILE 80 - HE2 LYS 19 far 0 97 0 - 8.2-38.1 HB2 LYS 19 - HE3 LYS 86 far 0 100 0 - 8.3-35.8 HB2 LYS 24 - HE2 LYS 26 far 0 98 0 - 8.3-10.9 HB2 LYS 31 - HE2 LYS 24 far 0 98 0 - 8.4-21.1 HB2 LYS 31 - HE2 LYS 19 far 0 99 0 - 8.4-24.2 HB2 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-11.9 HB2 ARG 23 - HE2 LYS 19 far 0 98 0 - 8.5-13.2 HB2 LYS 19 - HE3 LYS 26 far 0 98 0 - 8.5-20.9 HB2 LYS 31 - HE2 LYS 36 far 0 99 0 - 8.8-11.9 HB2 LYS 19 - HE2 LYS 26 far 0 98 0 - 9.3-21.9 HB2 LYS 31 - HE3 LYS 24 far 0 100 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 570 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 5.29 A): 12 out of 63 assignments used, quality = 1.00: * HB3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.4-4.6 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.8-4.2 4.9=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-5.3 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 3.2-5.4 5.1=100 HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 3.3-5.4 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 99 99 100 100 3.5-4.5 4.9=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.0 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.2-5.0 4.8=100 HB3 LYS 26 + HE2 LYS 26 OK 97 97 100 100 3.6-5.0 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 97 97 100 100 3.7-4.6 4.8=100 HB2 LYS 86 + HE3 LYS 86 OK 84 84 100 100 1.8-3.6 4.9=100 HB ILE 32 + HE2 LYS 26 OK 78 98 80 100 4.9-6.6 2.1/10766=78...(43) HB3 ARG 23 - HE2 LYS 26 far 9 95 10 - 4.6-12.5 HB3 LYS 19 - HE3 LYS 24 far 5 100 5 - 5.6-14.9 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 5.6-25.7 HB3 LYS 19 - HE3 LYS 31 far 5 98 5 - 4.9-25.2 HB2 LYS 36 - HE2 LYS 26 far 5 98 5 - 5.4-11.8 HB ILE 32 - HE3 LYS 26 far 5 98 5 - 4.6-7.5 HB3 ARG 23 - HE3 LYS 26 far 5 95 5 - 3.7-11.8 HB3 ARG 23 - HE2 LYS 24 far 5 95 5 - 4.7-9.9 HB3 LYS 31 - HE3 LYS 26 far 0 98 0 - 6.0-13.3 HB3 ARG 23 - HE3 LYS 24 far 0 98 0 - 6.1-9.9 HB3 ARG 23 - HE2 LYS 31 far 0 97 0 - 6.2-23.1 HB ILE 32 - HE2 LYS 31 far 0 99 0 - 6.3-10.3 HB3 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.3-12.4 HB3 ARG 23 - HE3 LYS 31 far 0 95 0 - 6.4-22.1 HB3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.5-14.0 HB3 LYS 19 - HE2 LYS 24 far 0 98 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 99 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 70 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 99 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 100 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 100 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 98 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 84 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 98 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 92 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 98 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 99 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 92 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 98 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 98 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 70 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 84 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 98 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 98 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 93 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 67 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 98 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 100 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 100 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 97 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 98 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 67 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 99 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 97 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 100 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 70 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 71 0 - 9.9-24.5 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 72 assignments used, quality = 1.00: * HG2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 3.1-4.2 4.0=99, 3.0/1064=26...(21) HG2 LYS 36 + HE2 LYS 36 OK 99 99 100 100 3.1-4.1 4.0=99, 3.0/1064=26...(21) HG2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.1-4.1 4.0=100 HG3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.0-3.4 3.6=100 HG3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.3-3.8 3.6=100 HG3 LYS 31 + HE2 LYS 31 OK 96 96 100 100 2.1-4.2 3.7=100 HG3 LYS 31 + HE3 LYS 31 OK 93 93 100 100 2.0-4.0 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 91 91 100 100 2.1-4.1 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 91 91 100 100 2.8-3.7 3.8=100 QB ALA 15 - HE2 LYS 19 far 15 100 15 - 3.9-11.9 QB ALA 15 - HE3 LYS 19 far 15 100 15 - 4.1-12.5 QB ALA 29 - HE2 LYS 26 far 10 98 10 - 3.3-7.6 QB ALA 29 - HE3 LYS 26 far 10 98 10 - 4.1-8.3 QB ALA 12 - HE2 LYS 31 far 4 82 5 - 4.1-33.9 QB ALA 12 - HE3 LYS 31 far 4 78 5 - 3.6-33.9 QB ALA 16 - HE2 LYS 31 far 3 70 5 - 3.9-25.9 QB ALA 16 - HE2 LYS 19 lone 1 70 35 3 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 1 70 30 3 2.7-9.0 HG2 LYS 19 - HE3 LYS 31 far 0 88 0 - 4.6-26.0 QB ALA 16 - HE3 LYS 31 far 0 67 0 - 5.2-26.1 QB ALA 15 - HE3 LYS 86 far 0 100 0 - 5.8-32.2 QB ALA 28 - HE2 LYS 26 far 0 98 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 93 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 91 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 93 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 98 0 - 6.1-9.5 HG3 LYS 31 - HE3 LYS 36 far 0 97 0 - 6.3-11.5 QB ALA 12 - HE2 LYS 19 far 0 82 0 - 6.4-19.1 QB ALA 12 - HE3 LYS 19 far 0 82 0 - 6.5-19.6 HG2 LYS 19 - HE3 LYS 24 far 0 92 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 95 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 91 0 - 6.8-34.9 QB ALA 29 - HE3 LYS 36 far 0 100 0 - 6.9-10.3 QB ALA 29 - HE2 LYS 36 far 0 99 0 - 7.1-9.7 HG2 LYS 36 - HE2 LYS 26 far 0 98 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 100 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 98 0 - 7.5-22.4 QB ALA 29 - HE3 LYS 31 far 0 98 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 96 0 - 7.7-28.1 QB ALA 28 - HE2 LYS 31 far 0 99 0 - 7.8-11.0 QB ALA 28 - HE3 LYS 24 far 0 100 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 88 0 - 8.0-15.1 QB ALA 28 - HE3 LYS 31 far 0 98 0 - 8.0-11.2 QB ALA 12 - HE3 LYS 86 far 0 82 0 - 8.1-32.9 HG3 LYS 31 - HE2 LYS 24 far 0 93 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 100 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 98 0 - 8.3-23.7 HG3 LYS 26 - HE3 LYS 31 far 0 98 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 96 0 - 8.6-26.5 HG2 LYS 24 - HE3 LYS 26 far 0 98 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 88 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 98 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 98 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 88 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.1-20.4 QB ALA 16 - HE2 LYS 24 far 0 67 0 - 9.1-18.0 QB ALA 15 - HE2 LYS 31 far 0 100 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.3-15.5 QB ALA 12 - HE2 LYS 36 far 0 81 0 - 9.4-36.4 QB ALA 16 - HE3 LYS 86 far 0 70 0 - 9.6-34.1 HG2 LYS 36 - HE2 LYS 31 far 0 100 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 100 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.7-15.4 QB ALA 12 - HE3 LYS 36 far 0 83 0 - 9.7-37.6 HG3 LYS 26 - HE3 LYS 19 far 0 100 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 97 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 98 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 100 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 98 0 - 9.9-12.6 HG2 LYS 24 - HE3 LYS 31 far 0 98 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 572 from cnoeabs.peaks (1.45, 2.96, 41.80 ppm; 4.53 A): 13 out of 59 assignments used, quality = 1.00: * HG3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.3-3.9 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-3.9 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.2-3.7 3.8=100 HG2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.1-4.0 3.7=100 HG3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.3-4.0 4.0=100 HG2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.2 3.7=100 HG2 LYS 26 + HE3 LYS 26 OK 91 91 100 100 2.2-3.8 3.6=100 HG2 LYS 26 + HE2 LYS 26 OK 91 91 100 100 2.7-4.1 3.6=100 HG3 LYS 36 + HE3 LYS 36 OK 81 81 100 100 2.0-3.5 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 79 79 100 100 2.0-3.5 4.0=100 HG2 LYS 86 + HE3 LYS 86 OK 70 70 100 100 2.5-3.7 3.7=100 HG3 LYS 86 + HE3 LYS 86 OK 60 60 100 100 2.4-3.8 3.7=100 HG13 ILE 32 + HE2 LYS 26 OK 38 96 40 99 3.5-6.7 3.2/10766=57, ~10767=42...(40) HG13 ILE 32 - HE3 LYS 26 poor 19 96 20 - 4.5-7.4 QB ALA 34 - HE3 LYS 26 poor 15 61 25 - 4.0-7.8 QB ALA 34 - HE2 LYS 26 poor 11 61 60 29 3.1-7.1 908/10766=23, 6364/865=4...(4) HG3 LYS 19 - HE3 LYS 31 far 5 98 5 - 4.4-25.7 HG3 LYS 86 - HE3 LYS 19 far 0 59 0 - 5.3-38.4 HG3 LYS 19 - HE2 LYS 31 far 0 100 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 100 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 98 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.5-13.4 HG2 LYS 26 - HE2 LYS 31 far 0 94 0 - 6.6-15.6 HG13 ILE 32 - HE2 LYS 31 far 0 98 0 - 6.7-10.1 HG3 LYS 86 - HE2 LYS 19 far 0 59 0 - 6.8-38.4 HG2 LYS 86 - HE3 LYS 19 far 0 70 0 - 6.8-38.5 HG13 ILE 32 - HE3 LYS 31 far 0 96 0 - 6.9-10.1 HG2 LYS 26 - HE3 LYS 31 far 0 91 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 100 0 - 7.0-15.8 HG3 LYS 36 - HE2 LYS 26 far 0 76 0 - 7.1-13.4 QB ALA 34 - HE2 LYS 19 far 0 64 0 - 7.3-24.1 HG3 LYS 19 - HE3 LYS 26 far 0 98 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-12.4 QB ALA 34 - HE2 LYS 31 far 0 64 0 - 7.5-11.5 HG3 LYS 19 - HE2 LYS 26 far 0 98 0 - 7.6-21.0 QB ALA 34 - HE3 LYS 36 far 0 65 0 - 7.6-8.5 HG2 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.7-26.4 QB ALA 34 - HE2 LYS 36 far 0 64 0 - 7.9-8.4 HG2 LYS 31 - HE2 LYS 36 far 0 99 0 - 8.0-11.8 QB ALA 34 - HE3 LYS 31 far 0 61 0 - 8.0-12.3 HG2 LYS 86 - HE2 LYS 19 far 0 70 0 - 8.4-38.3 HG2 LYS 31 - HE2 LYS 19 far 0 99 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 98 0 - 8.4-15.9 QB ALA 34 - HE3 LYS 19 far 0 64 0 - 8.5-24.4 HG3 LYS 24 - HE3 LYS 19 far 0 100 0 - 8.6-17.0 QB ALA 34 - HE3 LYS 86 far 0 65 0 - 8.7-11.0 HG3 LYS 36 - HE3 LYS 26 far 0 76 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 80 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 98 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 99 0 - 9.0-11.0 HG3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 98 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 98 0 - 9.4-11.1 QB ALA 92 - HE3 LYS 86 far 0 90 0 - 9.6-11.3 HG3 LYS 24 - HE2 LYS 26 far 0 98 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 76 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 100 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 95 0 - 9.8-14.5 QB ALA 34 - HE3 LYS 24 far 0 65 0 - 9.9-15.9 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 74 assignments used, quality = 1.00: * HD2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.8-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.5-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.4-3.0 3.0=100 HD2 LYS 19 + HE3 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 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 95 95 100 100 2.3-3.0 2.9=100 HD3 LYS 86 - HE3 LYS 19 far 0 100 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 100 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 98 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 98 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 95 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 92 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 97 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 92 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 95 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 73 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 95 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 100 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 99 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 95 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 98 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 95 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 95 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 95 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 98 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 73 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 96 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 95 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 95 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 96 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 95 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 72 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 99 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 98 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 92 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 72 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 99 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 92 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 92 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 92 0 - 9.9-17.4 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 74 assignments used, quality = 1.00: * HD3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.8-3.0 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 2.3-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.3-3.0 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 HD2 LYS 24 + HE2 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 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.5-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.4-3.0 3.0=100 HD2 LYS 19 + HE3 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 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.3-3.0 2.9=100 HD3 LYS 86 - HE3 LYS 19 far 0 100 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 100 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 98 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 98 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 94 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 93 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 97 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 93 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 75 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 94 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 100 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 99 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 94 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 98 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 94 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 96 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 98 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 75 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 97 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 94 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 96 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 97 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 94 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 75 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 99 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 98 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 93 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 75 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 99 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 93 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 93 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 93 0 - 9.9-17.4 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 3 assignments used, quality = 1.00: * H THR 25 + HA THR 25 OK 100 100 100 100 2.7-2.9 3.0=100 H GLU 91 - HA SER 74 far 0 74 0 - 8.6-9.2 H THR 25 - HA SER 74 far 0 98 0 - 9.2-20.5 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 7 assignments used, quality = 1.00: * HB THR 25 + HA THR 25 OK 100 100 100 100 2.3-2.6 3.0=100 HA ALA 29 - HA THR 25 far 0 65 0 - 5.5-11.4 HB THR 25 - HA SER 74 far 0 98 0 - 7.0-22.1 HA ALA 34 - HA SER 74 far 0 71 0 - 7.9-9.7 HA ALA 34 - HA THR 25 far 0 76 0 - 8.1-15.0 HA GLU 30 - HA THR 25 far 0 73 0 - 9.0-14.5 HB THR 18 - HA SER 74 far 0 95 0 - 9.9-34.6 Violated in 0 structures by 0.00 A. Peak 581 from cnoeabs.peaks (1.19, 4.29, 61.54 ppm; 3.33 A increased from 2.81 A): 1 out of 7 assignments used, quality = 1.00: * QG2 THR 25 + HA THR 25 OK 100 100 100 100 2.3-3.2 3.2=100 QG2 VAL 77 - HA SER 74 far 0 96 0 - 4.2-5.1 HG12 ILE 32 - HA THR 25 far 0 71 0 - 5.6-10.5 QG2 THR 25 - HA SER 74 far 0 98 0 - 6.0-18.6 QG2 THR 18 - HA SER 74 far 0 86 0 - 8.2-28.5 QG2 THR 18 - HA THR 25 far 0 90 0 - 9.0-14.4 HG12 ILE 80 - HA SER 74 far 0 69 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 582 from cnoeabs.peaks (8.37, 4.29, 61.54 ppm; 2.77 A increased from 2.60 A): 1 out of 8 assignments used, quality = 0.87: * H LYS 26 + HA THR 25 OK 87 100 100 87 2.3-2.7 6246=54, 6248/3.2=32...(11) H GLN 27 - HA THR 25 far 0 87 0 - 3.9-6.7 H LYS 24 - HA THR 25 far 0 100 0 - 4.9-5.5 H ASP 35 - HA THR 25 far 0 90 0 - 5.1-13.2 H LYS 19 - HA SER 74 far 0 76 0 - 7.6-33.8 H LYS 19 - HA THR 25 far 0 81 0 - 9.7-16.1 H LYS 26 - HA SER 74 far 0 98 0 - 9.9-19.8 H GLY 14 - HA SER 74 far 0 97 0 - 9.9-35.3 Violated in 0 structures by 0.00 A. Peak 583 from cnoeabs.peaks (8.10, 4.20, 69.83 ppm; 3.33 A increased from 3.14 A): 1 out of 2 assignments used, quality = 1.00: * H THR 25 + HB THR 25 OK 100 100 100 100 2.9-3.6 6241=97, 6242/2.1=75...(6) H THR 25 - HB THR 18 far 0 88 0 - 9.1-16.5 Violated in 1 structures by 0.01 A. Peak 584 from cnoeabs.peaks (4.29, 4.20, 69.83 ppm; 4.35 A): 2 out of 21 assignments used, quality = 1.00: * HA THR 25 + HB THR 25 OK 100 100 100 100 2.3-2.6 3.0=100 HA THR 18 + HB THR 18 OK 88 88 100 100 2.7-3.0 3.0=100 HA LYS 19 - HB THR 18 poor 12 58 20 - 4.8-5.4 HA LYS 26 - HB THR 25 far 4 78 5 - 4.7-6.0 HA ALA 16 - HB THR 18 lone 1 76 45 2 4.3-8.1 2.1/10691=2 HA2 GLY 75 - HB THR 25 far 0 65 0 - 5.9-18.0 HA LEU 22 - HB THR 25 far 0 76 0 - 5.9-10.8 HA ALA 21 - HB THR 25 far 0 100 0 - 6.2-13.4 HA ALA 15 - HB THR 18 far 0 86 0 - 6.4-11.1 HA LYS 19 - HB THR 25 far 0 73 0 - 6.5-16.5 HA ALA 21 - HB THR 18 far 0 88 0 - 6.8-8.1 HA SER 74 - HB THR 25 far 0 100 0 - 7.0-22.1 HA THR 18 - HB THR 25 far 0 100 0 - 7.1-16.8 HA ARG 23 - HB THR 25 far 0 100 0 - 7.1-8.4 HA LEU 22 - HB THR 18 far 0 60 0 - 7.3-10.5 HA ALA 12 - HB THR 18 far 0 86 0 - 7.9-20.8 HA LYS 36 - HB THR 25 far 0 90 0 - 8.8-18.1 HA ARG 23 - HB THR 18 far 0 87 0 - 9.6-12.4 HA LYS 31 - HB THR 25 far 0 93 0 - 9.7-17.2 HA ALA 15 - HB THR 25 far 0 99 0 - 9.8-24.7 HA SER 74 - HB THR 18 far 0 88 0 - 9.9-34.6 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 7 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 - 6.5-12.0 QG2 THR 25 - HB THR 18 far 0 88 0 - 7.0-15.9 QG2 THR 18 - HB THR 25 far 0 90 0 - 7.6-15.6 QG2 VAL 77 - HB THR 18 far 0 86 0 - 9.9-30.8 QG2 VAL 77 - HB THR 25 far 0 99 0 - 10.0-18.2 Violated in 0 structures by 0.00 A. Peak 587 from cnoeabs.peaks (8.37, 4.20, 69.83 ppm; 3.63 A increased from 3.06 A): 2 out of 10 assignments used, quality = 1.00: * H LYS 26 + HB THR 25 OK 100 100 100 100 2.4-3.7 6247=93, 6248/2.1=72...(12) H LYS 19 + HB THR 18 OK 63 65 100 98 2.7-3.7 6146=70, 6147/2.1=47...(14) H GLN 27 - HB THR 25 far 4 87 5 - 2.5-7.6 H LYS 24 - HB THR 25 far 0 100 0 - 5.6-6.2 H ASP 35 - HB THR 25 far 0 90 0 - 6.2-13.3 H GLY 14 - HB THR 18 far 0 87 0 - 8.1-15.1 H LYS 19 - HB THR 25 far 0 81 0 - 8.2-17.5 H GLN 27 - HB THR 18 far 0 71 0 - 8.7-21.4 H HIS 3 - HB THR 18 far 0 84 0 - 9.5-46.0 H LYS 24 - HB THR 18 far 0 88 0 - 9.5-13.7 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 2 assignments used, quality = 1.00: * H THR 25 + QG2 THR 25 OK 100 100 100 100 1.8-2.7 6242=100, 583/2.1=82...(10) H THR 25 - QG2 THR 18 far 0 70 0 - 7.0-13.3 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 28 assignments used, quality = 1.00: * HA THR 25 + QG2 THR 25 OK 100 100 100 100 2.3-3.2 3.2=100 HA THR 18 + QG2 THR 18 OK 70 70 100 100 2.7-3.1 3.2=100 HA LYS 26 + QG2 THR 25 OK 52 78 75 89 3.4-5.6 2.9/6248=51, ~6247=24...(13) HA LYS 19 + QG2 THR 18 OK 37 44 100 85 2.8-2.9 3.0/6147=40, ~6146=25...(12) HA LYS 19 - QG2 THR 25 far 0 73 0 - 4.1-13.8 HA ALA 21 - QG2 THR 25 far 0 100 0 - 4.2-10.8 HA ARG 23 - QG2 THR 25 far 0 100 0 - 4.3-7.3 HA LEU 22 - QG2 THR 18 far 0 46 0 - 4.4-7.9 HA2 GLY 75 - QG2 THR 25 far 0 65 0 - 4.6-15.0 HA ALA 16 - QG2 THR 18 far 0 59 0 - 5.3-7.9 HA THR 18 - QG2 THR 25 far 0 100 0 - 5.3-14.0 HA ALA 21 - QG2 THR 18 far 0 70 0 - 5.7-6.7 HA LEU 22 - QG2 THR 25 far 0 76 0 - 5.7-9.2 HA SER 74 - QG2 THR 25 far 0 100 0 - 6.0-18.6 HA ALA 15 - QG2 THR 18 far 0 68 0 - 6.1-10.6 HA ARG 23 - QG2 THR 18 far 0 69 0 - 6.3-9.7 HA ALA 15 - QG2 THR 25 far 0 99 0 - 7.3-20.9 HA LYS 31 - QG2 THR 25 far 0 93 0 - 7.8-13.1 HA ALA 12 - QG2 THR 18 far 0 68 0 - 8.0-18.7 HA SER 74 - QG2 THR 18 far 0 70 0 - 8.2-28.5 HA LYS 26 - QG2 THR 18 far 0 48 0 - 8.5-14.9 HA TYR 76 - QG2 THR 25 far 0 81 0 - 8.6-15.4 HA ALA 16 - QG2 THR 25 far 0 92 0 - 8.8-18.3 HA LYS 31 - QG2 THR 18 far 0 60 0 - 8.9-23.7 HA THR 25 - QG2 THR 18 far 0 70 0 - 9.0-14.4 HA2 GLY 75 - QG2 THR 18 far 0 39 0 - 9.1-25.7 HA LYS 36 - QG2 THR 25 far 0 90 0 - 9.4-15.4 HA PHE 87 - QG2 THR 18 far 0 40 0 - 10.0-32.4 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 8 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 0 65 0 - 5.9-9.5 HA ALA 34 - QG2 THR 25 far 0 76 0 - 6.6-12.8 HB THR 18 - QG2 THR 25 far 0 99 0 - 7.0-15.9 HB THR 25 - QG2 THR 18 far 0 70 0 - 7.6-15.6 HA GLU 30 - QG2 THR 25 far 0 73 0 - 8.3-11.6 HA ALA 29 - QG2 THR 18 far 0 39 0 - 9.8-22.2 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 13 assignments used, quality = 1.00: * H LYS 26 + QG2 THR 25 OK 100 100 100 100 2.4-3.9 4.3=100 H LYS 24 + QG2 THR 25 OK 78 100 80 98 3.5-5.3 6228/6242=89, 10740=66...(5) H GLN 27 + QG2 THR 25 OK 75 87 100 87 3.7-4.8 4.6/6248=59, 10758=37...(7) H LYS 19 + QG2 THR 18 OK 50 50 100 100 2.2-2.5 4.3=100 H LYS 19 - QG2 THR 25 far 0 81 0 - 5.5-14.6 H LYS 24 - QG2 THR 18 far 0 70 0 - 6.5-10.7 H ASP 35 - QG2 THR 25 far 0 90 0 - 7.1-11.5 H GLN 27 - QG2 THR 18 far 0 55 0 - 7.2-17.0 H GLY 14 - QG2 THR 18 far 0 69 0 - 8.0-13.9 H GLY 14 - QG2 THR 25 far 0 100 0 - 9.2-24.0 H LYS 26 - QG2 THR 18 far 0 70 0 - 9.2-15.7 H ASP 35 - QG2 THR 18 far 0 58 0 - 9.8-23.0 H HIS 3 - QG2 THR 18 far 0 66 0 - 10.0-39.4 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 14 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 2.7-2.8 3.0=100 H GLN 27 + HA LYS 26 OK 77 87 100 89 2.6-3.6 3.6=58, 6263/3.0=34...(9) H LYS 24 - HA LYS 19 far 0 100 0 - 4.7-10.6 H ASP 35 - HA LYS 36 far 0 69 0 - 5.2-5.2 H LYS 24 - HA LYS 26 far 0 100 0 - 6.4-7.4 H ASP 35 - HA LYS 26 far 0 90 0 - 6.7-11.8 H GLN 27 - HA LYS 31 far 0 72 0 - 6.9-9.9 H LYS 24 - HA LYS 31 far 0 89 0 - 7.1-18.7 H LYS 26 - HA LYS 31 far 0 89 0 - 7.5-13.9 H LYS 19 - HA LYS 31 far 0 66 0 - 8.6-26.7 H ASP 35 - HA LYS 31 far 0 76 0 - 8.8-9.4 H LYS 26 - HA LYS 36 far 0 83 0 - 9.3-15.4 H LYS 26 - HA LYS 19 far 0 100 0 - 9.3-16.8 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): 3 out of 18 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 2.3-2.4 3.0=100 HB2 LYS 31 + HA LYS 31 OK 87 87 100 100 3.0-3.0 3.0=100 HB2 LYS 24 - HA LYS 19 far 0 99 0 - 4.0-13.5 HB2 LYS 31 - HA LYS 26 far 0 99 0 - 4.3-11.2 HB2 ARG 23 - HA LYS 19 far 0 99 0 - 4.5-9.3 HB2 LYS 26 - HA LYS 31 far 0 89 0 - 4.9-11.8 HB2 ARG 23 - HA LYS 31 far 0 88 0 - 5.8-19.1 HB2 LYS 24 - HA LYS 26 far 0 100 0 - 6.2-8.2 HB2 LYS 31 - HA LYS 19 far 0 98 0 - 6.8-22.9 HB2 ARG 23 - HA LYS 26 far 0 100 0 - 6.9-10.2 HB2 LYS 19 - HA LYS 31 far 0 89 0 - 7.3-26.4 HB2 LYS 26 - HA LYS 36 far 0 83 0 - 7.9-15.0 HG3 ARG 90 - HA LYS 19 far 0 85 0 - 9.2-34.8 HB2 LYS 19 - HA LYS 26 far 0 100 0 - 9.4-17.1 HB2 LYS 24 - HA LYS 31 far 0 89 0 - 9.6-19.4 HB2 LYS 26 - HA LYS 19 far 0 100 0 - 9.7-17.9 HB ILE 80 - HA LYS 19 far 0 93 0 - 9.9-34.2 Violated in 0 structures by 0.00 A. Peak 596 from cnoeabs.peaks (1.82, 4.27, 56.60 ppm; 3.42 A): 4 out of 22 assignments used, quality = 1.00: * HB3 LYS 26 + HA LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 19 + HA LYS 19 OK 98 98 100 100 2.5-2.7 3.0=100 HB3 LYS 31 + HA LYS 31 OK 87 87 100 100 2.5-2.6 3.0=100 HB2 LYS 36 + HA LYS 36 OK 82 82 100 100 2.2-2.9 3.0=100 HB3 LYS 31 - HA LYS 26 far 0 99 0 - 4.5-12.4 HB3 LYS 26 - HA LYS 31 far 0 89 0 - 4.5-10.2 HB ILE 32 - HA LYS 26 far 0 100 0 - 4.8-10.0 HB ILE 32 - HA LYS 31 far 0 89 0 - 4.8-5.6 HB3 ARG 23 - HA LYS 26 far 0 100 0 - 5.4-10.0 HB3 LYS 24 - HA LYS 19 far 0 99 0 - 5.5-13.9 HB3 LYS 19 - HA LYS 31 far 0 87 0 - 5.6-24.7 HB3 LYS 31 - HA LYS 19 far 0 98 0 - 5.7-24.3 HB3 ARG 23 - HA LYS 19 far 0 99 0 - 5.8-10.6 HB ILE 32 - HA LYS 36 far 0 83 0 - 6.4-7.7 HB3 LYS 24 - HA LYS 26 far 0 100 0 - 6.7-8.2 HB3 ARG 23 - HA LYS 31 far 0 88 0 - 7.2-20.2 HB2 CYS 79 - HA LYS 36 far 0 62 0 - 7.7-10.1 HB3 LYS 19 - HA LYS 26 far 0 99 0 - 7.7-15.6 HB2 LYS 36 - HA LYS 31 far 0 89 0 - 7.8-9.5 HB2 CYS 79 - HA LYS 19 far 0 81 0 - 8.0-30.8 HB3 LYS 26 - HA LYS 36 far 0 83 0 - 8.7-14.1 HB2 LYS 36 - HA LYS 26 far 0 100 0 - 9.4-16.2 Violated in 0 structures by 0.00 A. Peak 597 from cnoeabs.peaks (1.43, 4.27, 56.60 ppm; 3.96 A): 3 out of 20 assignments used, quality = 1.00: * HG2 LYS 26 + HA LYS 26 OK 100 100 100 100 2.9-4.2 4.0=93, 6252/2.9=66...(31) HG3 LYS 19 + HA LYS 19 OK 95 95 100 100 4.2-4.2 4.2=86, 6152/3.0=44...(40) HG2 LYS 31 + HA LYS 31 OK 85 85 100 100 2.2-3.7 3.8=100 HG13 ILE 32 - HA LYS 26 far 10 99 10 - 3.1-8.1 HG3 LYS 24 - HA LYS 19 far 5 93 5 - 4.3-12.8 HG13 ILE 32 - HA LYS 31 far 0 87 0 - 5.0-5.6 HG2 LYS 26 - HA LYS 31 far 0 89 0 - 5.1-11.8 QB ALA 16 - HA LYS 19 far 0 61 0 - 6.1-9.7 HG3 LYS 19 - HA LYS 31 far 0 83 0 - 6.2-25.0 HG2 LYS 31 - HA LYS 19 far 0 97 0 - 6.3-23.8 QB ALA 34 - HA LYS 26 far 0 93 0 - 6.3-10.4 QB ALA 34 - HA LYS 36 far 0 72 0 - 6.3-6.4 HG2 LYS 31 - HA LYS 26 far 0 98 0 - 6.5-13.6 QB ALA 34 - HA LYS 19 far 0 92 0 - 7.7-21.5 HG3 LYS 19 - HA LYS 26 far 0 97 0 - 7.8-16.3 QB ALA 16 - HA LYS 31 far 0 50 0 - 7.9-25.4 HG2 LYS 26 - HA LYS 36 far 0 83 0 - 8.1-13.8 HG3 LYS 24 - HA LYS 26 far 0 95 0 - 8.4-9.7 QB ALA 34 - HA LYS 31 far 0 79 0 - 8.5-8.9 HG13 ILE 32 - HA LYS 36 far 0 81 0 - 8.5-10.0 Violated in 0 structures by 0.00 A. Peak 598 from cnoeabs.peaks (1.38, 4.27, 56.60 ppm; 3.60 A): 4 out of 25 assignments used, quality = 1.00: * HG3 LYS 26 + HA LYS 26 OK 99 100 100 99 2.6-3.7 4.0=70, 6253/2.9=57...(31) HG2 LYS 19 + HA LYS 19 OK 86 87 100 99 3.5-3.6 4.2=65, 6151/3.0=48...(39) HG3 LYS 31 + HA LYS 31 OK 84 85 100 98 2.2-3.7 3.8=84, 1.8/822=28...(21) HG2 LYS 36 + HA LYS 36 OK 82 83 100 99 3.1-3.3 4.1=66, 6394/3.0=51...(29) QB ALA 28 - HA LYS 26 far 15 100 15 - 3.8-7.7 HG2 LYS 24 - HA LYS 19 far 0 100 0 - 4.8-11.2 HG3 LYS 31 - HA LYS 19 far 0 97 0 - 4.8-25.5 QB ALA 29 - HA LYS 36 far 0 83 0 - 5.2-8.8 QB ALA 29 - HA LYS 31 far 0 89 0 - 5.5-6.6 QB ALA 29 - HA LYS 26 far 0 100 0 - 5.6-9.5 QB ALA 16 - HA LYS 19 far 0 75 0 - 6.1-9.7 QB ALA 12 - HA LYS 31 far 0 64 0 - 6.2-33.7 QB ALA 28 - HA LYS 31 far 0 89 0 - 6.6-7.7 HG3 LYS 26 - HA LYS 31 far 0 89 0 - 6.6-12.4 HG3 LYS 31 - HA LYS 26 far 0 98 0 - 6.8-12.7 QB ALA 15 - HA LYS 19 far 0 100 0 - 6.9-12.4 HG2 LYS 19 - HA LYS 31 far 0 74 0 - 6.9-25.0 HG3 LYS 26 - HA LYS 36 far 0 83 0 - 7.8-13.9 QB ALA 16 - HA LYS 31 far 0 62 0 - 7.9-25.4 HG2 LYS 24 - HA LYS 26 far 0 100 0 - 8.0-9.2 QB ALA 28 - HA LYS 19 far 0 100 0 - 8.6-20.2 HG2 LYS 19 - HA LYS 26 far 0 89 0 - 8.9-15.8 QB ALA 12 - HA LYS 19 far 0 77 0 - 9.1-20.2 HG2 LYS 24 - HA LYS 31 far 0 89 0 - 9.5-19.9 HG3 LYS 26 - HA LYS 19 far 0 100 0 - 9.9-17.8 Violated in 0 structures by 0.00 A. Peak 599 from cnoeabs.peaks (1.66, 4.27, 56.60 ppm; 4.60 A): 8 out of 28 assignments used, quality = 1.00: * HD2 LYS 26 + HA LYS 26 OK 100 100 100 100 2.0-5.1 5.0=79, ~6253=41...(34) HD2 LYS 19 + HA LYS 19 OK 95 95 100 100 3.5-4.4 5.2=71, ~6151=39...(42) HD3 LYS 19 + HA LYS 19 OK 95 95 100 100 3.8-5.0 5.2=71, ~6151=39...(41) HD3 LYS 31 + HA LYS 31 OK 89 89 100 100 1.9-4.8 5.2=69, ~6332=35...(32) HD2 LYS 31 + HA LYS 31 OK 89 89 100 100 2.0-4.7 5.2=69, ~6332=35...(32) HD3 LYS 26 + HA LYS 26 OK 80 100 80 100 2.0-5.3 5.0=79, ~6253=41...(34) HD2 LYS 36 + HA LYS 36 OK 77 77 100 100 4.6-4.6 5.3=67, 1042/3.0=40...(29) HD3 LYS 36 + HA LYS 36 OK 73 77 95 100 4.9-5.2 5.3=67, 1042/3.0=40...(30) HD2 LYS 26 - HA LYS 31 far 9 89 10 - 5.1-10.1 HD3 LYS 26 - HA LYS 31 far 9 89 10 - 4.0-10.4 HD3 LYS 31 - HA LYS 19 far 5 100 5 - 4.2-24.3 HD2 LYS 31 - HA LYS 19 far 5 100 5 - 5.1-24.1 HD2 LYS 26 - HA LYS 36 far 0 83 0 - 5.9-11.4 HD3 LYS 26 - HA LYS 36 far 0 82 0 - 6.0-12.7 HD2 LYS 31 - HA LYS 26 far 0 100 0 - 6.5-14.6 HD2 LYS 24 - HA LYS 19 far 0 100 0 - 6.5-12.9 HD3 LYS 24 - HA LYS 19 far 0 100 0 - 6.6-13.2 HD3 LYS 24 - HA LYS 26 far 0 100 0 - 6.8-10.5 HD2 LYS 36 - HA LYS 31 far 0 84 0 - 7.5-8.1 HD3 LYS 31 - HA LYS 26 far 0 100 0 - 7.8-13.5 HD2 LYS 24 - HA LYS 26 far 0 100 0 - 7.8-10.9 HD3 LYS 19 - HA LYS 31 far 0 83 0 - 8.3-27.0 HD2 LYS 86 - HA LYS 19 far 0 100 0 - 8.6-32.1 HD2 LYS 19 - HA LYS 31 far 0 83 0 - 8.9-27.5 HD3 LYS 36 - HA LYS 31 far 0 84 0 - 9.1-9.5 HD3 LYS 86 - HA LYS 19 far 0 100 0 - 9.3-32.9 HD3 LYS 26 - HA LYS 19 far 0 100 0 - 9.7-20.2 HD3 LYS 19 - HA LYS 26 far 0 97 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 600 from cnoeabs.peaks (1.66, 4.27, 56.60 ppm; 4.60 A): 8 out of 28 assignments used, quality = 1.00: HD2 LYS 26 + HA LYS 26 OK 100 100 100 100 2.0-5.1 5.0=79, ~6253=41...(34) HD2 LYS 19 + HA LYS 19 OK 97 97 100 100 3.5-4.4 5.2=71, ~6151=39...(42) HD3 LYS 19 + HA LYS 19 OK 97 97 100 100 3.8-5.0 5.2=71, ~6151=39...(41) HD3 LYS 31 + HA LYS 31 OK 89 89 100 100 1.9-4.8 5.2=69, ~6332=35...(32) HD2 LYS 31 + HA LYS 31 OK 88 89 100 100 2.0-4.7 5.2=69, ~6332=35...(32) * HD3 LYS 26 + HA LYS 26 OK 80 100 80 100 2.0-5.3 5.0=79, ~6253=41...(34) HD2 LYS 36 + HA LYS 36 OK 75 75 100 100 4.6-4.6 5.3=67, 1042/3.0=39...(29) HD3 LYS 36 + HA LYS 36 OK 71 75 95 100 4.9-5.2 5.3=67, 1042/3.0=39...(30) HD3 LYS 26 - HA LYS 31 far 9 89 10 - 4.0-10.4 HD2 LYS 26 - HA LYS 31 far 9 89 10 - 5.1-10.1 HD3 LYS 31 - HA LYS 19 far 5 100 5 - 4.2-24.3 HD2 LYS 31 - HA LYS 19 far 5 99 5 - 5.1-24.1 HD2 LYS 26 - HA LYS 36 far 0 82 0 - 5.9-11.4 HD3 LYS 26 - HA LYS 36 far 0 83 0 - 6.0-12.7 HD2 LYS 31 - HA LYS 26 far 0 100 0 - 6.5-14.6 HD2 LYS 24 - HA LYS 19 far 0 99 0 - 6.5-12.9 HD3 LYS 24 - HA LYS 19 far 0 100 0 - 6.6-13.2 HD3 LYS 24 - HA LYS 26 far 0 100 0 - 6.8-10.5 HD2 LYS 36 - HA LYS 31 far 0 82 0 - 7.5-8.1 HD3 LYS 31 - HA LYS 26 far 0 100 0 - 7.8-13.5 HD2 LYS 24 - HA LYS 26 far 0 100 0 - 7.8-10.9 HD3 LYS 19 - HA LYS 31 far 0 85 0 - 8.3-27.0 HD2 LYS 86 - HA LYS 19 far 0 100 0 - 8.6-32.1 HD2 LYS 19 - HA LYS 31 far 0 85 0 - 8.9-27.5 HD3 LYS 36 - HA LYS 31 far 0 82 0 - 9.1-9.5 HD3 LYS 86 - HA LYS 19 far 0 100 0 - 9.3-32.9 HD3 LYS 26 - HA LYS 19 far 0 100 0 - 9.7-20.2 HD3 LYS 19 - HA LYS 26 far 0 98 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 603 from cnoeabs.peaks (8.39, 4.27, 56.60 ppm; 3.12 A increased from 2.94 A): 2 out of 13 assignments used, quality = 0.99: * H GLN 27 + HA LYS 26 OK 95 100 100 95 2.6-3.6 3.6=67, 6263/3.0=46...(9) H LYS 26 + HA LYS 26 OK 87 87 100 100 2.7-2.9 2.9=100 H MET 11 - HA LYS 19 far 0 69 0 - 4.4-25.9 H LYS 24 - HA LYS 19 far 0 84 0 - 4.7-10.6 H ASP 35 - HA LYS 36 far 0 82 0 - 5.2-5.2 H LYS 24 - HA LYS 26 far 0 85 0 - 6.4-7.4 H ASP 35 - HA LYS 26 far 0 100 0 - 6.7-11.8 H GLN 27 - HA LYS 31 far 0 89 0 - 6.9-9.9 H LYS 24 - HA LYS 31 far 0 70 0 - 7.1-18.7 H LYS 26 - HA LYS 31 far 0 72 0 - 7.5-13.9 H ASP 35 - HA LYS 31 far 0 89 0 - 8.8-9.4 H LYS 26 - HA LYS 36 far 0 66 0 - 9.3-15.4 H LYS 26 - HA LYS 19 far 0 85 0 - 9.3-16.8 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 19 assignments used, quality = 1.00: * H LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.5-3.8 6250=100, 6251/1.8=63...(30) H LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.4-3.6 6220=100, 6214/1.8=66...(24) H GLN 27 + HB2 LYS 26 OK 81 87 95 98 2.0-4.3 6262=77, 6263/1.8=61...(10) H LYS 19 + HB2 LYS 19 OK 79 80 100 99 2.6-2.9 6149=72, 6151/3.0=35...(35) H LYS 24 - HB2 LYS 31 far 0 96 0 - 4.2-17.9 H LYS 26 - HB2 LYS 31 far 0 96 0 - 5.1-13.2 H GLN 27 - HB2 LYS 31 far 0 80 0 - 5.3-8.9 H ASP 35 - HB2 LYS 26 far 0 90 0 - 5.9-10.8 H LYS 26 - HB2 LYS 24 far 0 100 0 - 6.0-7.1 H LYS 24 - HB2 LYS 19 far 0 100 0 - 6.2-12.3 H GLN 27 - HB2 LYS 24 far 0 86 0 - 6.5-10.7 H LYS 19 - HB2 LYS 24 far 0 80 0 - 6.7-14.6 H LYS 24 - HB2 LYS 26 far 0 100 0 - 7.9-9.4 H ASP 35 - HB2 LYS 24 far 0 89 0 - 8.5-16.1 H LYS 19 - HB2 LYS 31 far 0 73 0 - 8.8-24.2 H LYS 26 - HB2 LYS 19 far 0 100 0 - 9.1-18.2 H ASP 35 - HB2 LYS 31 far 0 83 0 - 9.3-9.8 H GLY 14 - HB2 LYS 19 far 0 99 0 - 9.5-17.8 H GLN 27 - HB2 LYS 19 far 0 86 0 - 9.7-19.5 Violated in 0 structures by 0.00 A. Peak 605 from cnoeabs.peaks (4.27, 1.75, 32.72 ppm; 3.28 A): 3 out of 41 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 2.3-2.4 3.0=100 HA LYS 31 + HB2 LYS 31 OK 93 93 100 100 3.0-3.0 3.0=100 HA ARG 23 - HB2 LYS 31 far 4 81 5 - 2.6-16.6 HA ALA 21 - HB2 LYS 24 far 4 80 5 - 3.2-10.2 HA LYS 19 - HB2 LYS 24 far 0 100 0 - 4.0-13.5 HA THR 25 - HB2 LYS 24 far 0 77 0 - 4.2-5.0 HA GLN 27 - HB2 LYS 26 far 0 71 0 - 4.2-5.8 HA LEU 22 - HB2 LYS 24 far 0 100 0 - 4.2-7.1 HA LYS 26 - HB2 LYS 31 far 0 96 0 - 4.3-11.2 HA THR 25 - HB2 LYS 26 far 0 78 0 - 4.5-5.6 HA ARG 23 - HB2 LYS 24 far 0 88 0 - 4.6-6.1 HA LYS 31 - HB2 LYS 26 far 0 99 0 - 4.9-11.8 HA SER 74 - HB2 LYS 19 far 0 77 0 - 5.6-34.6 HA THR 18 - HB2 LYS 19 far 0 75 0 - 6.0-6.2 HA LYS 26 - HB2 LYS 24 far 0 100 0 - 6.2-8.2 HA ALA 16 - HB2 LYS 19 far 0 99 0 - 6.3-10.0 HA ARG 23 - HB2 LYS 19 far 0 88 0 - 6.3-11.2 HA LEU 22 - HB2 LYS 31 far 0 96 0 - 6.8-20.4 HA LYS 19 - HB2 LYS 31 far 0 96 0 - 6.8-22.9 HA GLN 27 - HB2 LYS 31 far 0 64 0 - 6.8-10.6 HA ALA 15 - HB2 LYS 19 far 0 90 0 - 6.9-13.3 HA ARG 23 - HB2 LYS 26 far 0 89 0 - 7.0-10.2 HA THR 25 - HB2 LYS 31 far 0 71 0 - 7.1-15.0 HA THR 18 - HB2 LYS 24 far 0 75 0 - 7.3-14.1 HA LYS 31 - HB2 LYS 19 far 0 98 0 - 7.3-26.4 HA ALA 12 - HB2 LYS 19 far 0 90 0 - 7.3-22.3 HA THR 25 - HB2 LYS 19 far 0 77 0 - 7.6-17.0 HA LYS 36 - HB2 LYS 26 far 0 99 0 - 7.9-15.0 HA LEU 22 - HB2 LYS 19 far 0 100 0 - 7.9-10.4 HA ALA 21 - HB2 LYS 31 far 0 73 0 - 8.0-21.9 HA ALA 21 - HB2 LYS 19 far 0 80 0 - 8.1-8.5 HA GLN 27 - HB2 LYS 24 far 0 70 0 - 8.3-10.8 HA SER 74 - HB2 LYS 24 far 0 77 0 - 8.6-21.9 HA LEU 22 - HB2 LYS 26 far 0 100 0 - 8.7-13.8 HA ALA 12 - HB2 LYS 31 far 0 83 0 - 9.0-37.5 HA LYS 26 - HB2 LYS 19 far 0 100 0 - 9.4-17.1 HA LYS 31 - HB2 LYS 24 far 0 98 0 - 9.6-19.4 HA GLN 27 - HB2 LYS 19 far 0 70 0 - 9.7-21.0 HA LYS 19 - HB2 LYS 26 far 0 100 0 - 9.7-17.9 HA ALA 16 - HB2 LYS 31 far 0 94 0 - 9.8-27.0 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 28 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 LYS 26 - HB2 LYS 31 far 5 96 5 - 2.8-9.8 HB3 LYS 31 - HB2 LYS 26 far 0 99 0 - 3.3-12.5 HB3 LYS 19 - HB2 LYS 24 far 0 98 0 - 4.2-14.4 HB3 ARG 23 - HB2 LYS 31 far 0 95 0 - 5.4-19.6 HB ILE 32 - HB2 LYS 26 far 0 100 0 - 5.4-8.5 HB ILE 32 - HB2 LYS 31 far 0 96 0 - 6.0-6.4 HB3 ARG 23 - HB2 LYS 24 far 0 99 0 - 6.1-7.3 HB3 LYS 19 - HB2 LYS 31 far 0 94 0 - 6.3-22.1 HB3 ARG 23 - HB2 LYS 26 far 0 100 0 - 6.4-12.2 HB3 LYS 31 - HB2 LYS 19 far 0 99 0 - 6.5-25.3 HB3 ARG 23 - HB2 LYS 19 far 0 99 0 - 6.5-12.1 HB3 LYS 24 - HB2 LYS 19 far 0 99 0 - 6.6-15.6 HB2 CYS 79 - HB2 LYS 39 far 0 46 0 - 6.8-9.6 HB2 CYS 79 - HB2 LYS 19 far 0 82 0 - 7.0-32.6 HB3 LYS 31 - HB2 LYS 24 far 0 98 0 - 7.9-19.1 HB3 LYS 24 - HB2 LYS 31 far 0 95 0 - 7.9-18.7 HB3 LYS 24 - HB2 LYS 26 far 0 100 0 - 8.1-9.9 HB2 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.3-14.6 HB3 ARG 135 - HB2 LYS 39 far 0 64 0 - 8.3-11.2 HB3 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.6-10.2 HB2 LYS 36 - HB2 LYS 31 far 0 96 0 - 9.1-11.4 HB2 CYS 79 - HB2 LYS 24 far 0 82 0 - 9.4-22.1 HB2 LYS 86 - HB2 LYS 19 far 0 73 0 - 9.5-37.3 HB3 LYS 19 - HB2 LYS 26 far 0 99 0 - 9.7-17.7 Violated in 0 structures by 0.00 A. Peak 608 from cnoeabs.peaks (1.43, 1.75, 32.72 ppm; 3.53 A): 4 out of 25 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 2.7-2.8 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 2.2-2.9 3.0=100 HG2 LYS 26 - HB2 LYS 31 poor 19 96 20 - 2.4-11.6 HG2 LYS 31 - HB2 LYS 26 far 0 98 0 - 4.5-14.0 HG13 ILE 32 - HB2 LYS 26 far 0 99 0 - 4.5-7.0 HG13 ILE 32 - HB2 LYS 31 far 0 94 0 - 4.6-6.1 QB ALA 34 - HB2 LYS 26 far 0 93 0 - 5.3-9.6 QB ALA 16 - HB2 LYS 19 far 0 62 0 - 5.7-9.3 HG3 LYS 24 - HB2 LYS 19 far 0 94 0 - 6.1-14.5 HG3 LYS 19 - HB2 LYS 24 far 0 96 0 - 6.3-15.3 HG3 LYS 19 - HB2 LYS 31 far 0 90 0 - 6.6-22.5 QB ALA 16 - HB2 LYS 31 far 0 56 0 - 6.8-23.1 QB ALA 34 - HB2 LYS 19 far 0 92 0 - 7.0-22.9 HG2 LYS 31 - HB2 LYS 19 far 0 97 0 - 7.2-24.6 HG2 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.3-9.8 HG3 LYS 24 - HB2 LYS 31 far 0 88 0 - 7.4-19.6 QB ALA 34 - HB2 LYS 24 far 0 92 0 - 7.6-13.6 QB ALA 34 - HB2 LYS 31 far 0 86 0 - 8.0-8.8 HG2 LYS 31 - HB2 LYS 24 far 0 97 0 - 8.1-20.1 HG2 LYS 86 - HB2 LYS 19 far 0 95 0 - 8.6-36.3 HG13 ILE 32 - HB2 LYS 24 far 0 99 0 - 9.1-14.3 HG3 LYS 19 - HB2 LYS 26 far 0 97 0 - 9.5-17.7 HG3 LYS 24 - HB2 LYS 26 far 0 95 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 609 from cnoeabs.peaks (1.38, 1.75, 32.72 ppm; 3.45 A): 4 out of 28 assignments used, quality = 1.00: * HG3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 31 + HB2 LYS 31 OK 92 92 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HB2 LYS 19 OK 88 88 100 100 2.9-2.9 3.0=100 HG3 LYS 26 - HB2 LYS 31 far 5 96 5 - 4.0-11.8 QB ALA 28 - HB2 LYS 26 far 0 100 0 - 4.3-7.9 QB ALA 29 - HB2 LYS 26 far 0 100 0 - 4.8-8.9 HG3 LYS 31 - HB2 LYS 26 far 0 98 0 - 5.1-12.9 HB2 LEU 42 - HB2 LYS 39 far 0 63 0 - 5.3-6.0 QB ALA 15 - HB2 LYS 19 far 0 100 0 - 5.5-12.4 QB ALA 16 - HB2 LYS 19 far 0 75 0 - 5.7-9.3 QB ALA 12 - HB2 LYS 31 far 0 71 0 - 5.8-31.3 QB ALA 28 - HB2 LYS 24 far 0 100 0 - 5.9-13.1 HG3 LYS 31 - HB2 LYS 19 far 0 97 0 - 6.0-26.3 QB ALA 28 - HB2 LYS 31 far 0 96 0 - 6.3-7.9 HG2 LYS 19 - HB2 LYS 24 far 0 88 0 - 6.4-14.3 HG2 LYS 24 - HB2 LYS 31 far 0 96 0 - 6.6-18.9 HG2 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.7-13.0 QB ALA 16 - HB2 LYS 31 far 0 69 0 - 6.8-23.1 QB ALA 29 - HB2 LYS 31 far 0 96 0 - 7.0-7.5 HG3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.1-8.9 HG2 LYS 19 - HB2 LYS 31 far 0 81 0 - 7.6-22.5 QB ALA 12 - HB2 LYS 19 far 0 77 0 - 7.7-19.6 HG3 LYS 31 - HB2 LYS 24 far 0 97 0 - 7.7-20.6 QB ALA 29 - HB2 LYS 24 far 0 100 0 - 7.9-14.1 QB ALA 15 - HB2 LYS 24 far 0 100 0 - 9.2-18.3 HG2 LYS 24 - HB2 LYS 26 far 0 100 0 - 9.2-11.0 HG3 LYS 26 - HB2 LYS 19 far 0 100 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 610 from cnoeabs.peaks (1.66, 1.75, 32.72 ppm; 4.35 A): 10 out of 34 assignments used, quality = 1.00: * HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.1-4.0 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.3-3.9 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.6-3.7 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.6-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 96 96 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 96 96 100 100 2.1-4.2 3.5=100 HD3 LYS 19 + HB2 LYS 19 OK 96 96 100 100 2.0-3.5 3.9=100 HD2 LYS 19 + HB2 LYS 19 OK 96 96 100 100 2.2-3.2 3.9=100 HD2 LYS 39 + HB2 LYS 39 OK 49 49 100 100 2.6-3.7 3.6=100 HG LEU 43 + HB2 LYS 39 OK 35 50 70 99 3.4-5.3 ~11901=46, ~11073=37...(23) HD2 LYS 26 - HB2 LYS 31 poor 19 96 20 - 3.7-10.0 HD3 LYS 26 - HB2 LYS 31 far 14 96 15 - 2.1-9.6 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.6-25.0 HD2 LYS 31 - HB2 LYS 19 far 0 100 0 - 5.2-25.0 HD2 LYS 31 - HB2 LYS 26 far 0 100 0 - 5.4-13.3 HD3 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.1-13.8 HD2 LYS 86 - HB2 LYS 19 far 0 100 0 - 6.5-34.1 HD3 LYS 86 - HB2 LYS 19 far 0 100 0 - 7.1-35.0 HD2 LYS 19 - HB2 LYS 24 far 0 96 0 - 7.3-16.3 HD3 LYS 24 - HB2 LYS 19 far 0 100 0 - 7.9-15.5 HD3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.9-11.0 HD3 LYS 19 - HB2 LYS 31 far 0 90 0 - 8.2-24.6 HD2 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.2-15.2 HD3 LYS 19 - HB2 LYS 24 far 0 96 0 - 8.2-16.3 HD2 LYS 36 - HB2 LYS 31 far 0 91 0 - 8.4-9.8 HD3 LYS 24 - HB2 LYS 26 far 0 100 0 - 8.4-11.9 HD2 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.6-11.1 HD2 LYS 24 - HB2 LYS 31 far 0 96 0 - 8.8-21.3 HD2 LYS 19 - HB2 LYS 31 far 0 90 0 - 9.2-25.0 HD3 LYS 24 - HB2 LYS 31 far 0 96 0 - 9.4-20.4 HD2 LYS 24 - HB2 LYS 26 far 0 100 0 - 9.6-12.5 HD3 LYS 36 - HB2 LYS 31 far 0 91 0 - 9.7-11.4 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.2 HD2 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 611 from cnoeabs.peaks (1.66, 1.75, 32.72 ppm; 4.35 A): 10 out of 34 assignments used, quality = 1.00: * HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.3-3.9 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.1-4.0 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.6-3.7 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.6-4.2 3.5=100 HD3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.0-3.5 3.9=100 HD2 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.2-3.2 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 2.1-4.2 3.5=100 HD2 LYS 39 + HB2 LYS 39 OK 46 46 100 100 2.6-3.7 3.6=100 HG LEU 43 + HB2 LYS 39 OK 37 53 70 99 3.4-5.3 ~11901=46, ~11073=37...(23) HD2 LYS 26 - HB2 LYS 31 poor 19 96 20 - 3.7-10.0 HD3 LYS 26 - HB2 LYS 31 far 14 96 15 - 2.1-9.6 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.6-25.0 HD2 LYS 31 - HB2 LYS 19 far 0 100 0 - 5.2-25.0 HD2 LYS 31 - HB2 LYS 26 far 0 100 0 - 5.4-13.3 HD3 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.1-13.8 HD2 LYS 86 - HB2 LYS 19 far 0 100 0 - 6.5-34.1 HD3 LYS 86 - HB2 LYS 19 far 0 100 0 - 7.1-35.0 HD2 LYS 19 - HB2 LYS 24 far 0 97 0 - 7.3-16.3 HD3 LYS 24 - HB2 LYS 19 far 0 100 0 - 7.9-15.5 HD3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.9-11.0 HD3 LYS 19 - HB2 LYS 31 far 0 92 0 - 8.2-24.6 HD2 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.2-15.2 HD3 LYS 19 - HB2 LYS 24 far 0 97 0 - 8.2-16.3 HD2 LYS 36 - HB2 LYS 31 far 0 89 0 - 8.4-9.8 HD3 LYS 24 - HB2 LYS 26 far 0 100 0 - 8.4-11.9 HD2 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.6-11.1 HD2 LYS 24 - HB2 LYS 31 far 0 96 0 - 8.8-21.3 HD2 LYS 19 - HB2 LYS 31 far 0 92 0 - 9.2-25.0 HD3 LYS 24 - HB2 LYS 31 far 0 96 0 - 9.4-20.4 HD2 LYS 24 - HB2 LYS 26 far 0 100 0 - 9.6-12.5 HD3 LYS 36 - HB2 LYS 31 far 0 89 0 - 9.7-11.4 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.2 HD2 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 612 from cnoeabs.peaks (2.97, 1.75, 32.72 ppm; 6.80 A): 8 out of 29 assignments used, quality = 1.00: HE3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 3.5-5.0 4.8=100 * HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 4.2-5.5 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.5-4.5 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.2-5.4 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.9-4.6 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 96 96 100 100 3.0-5.1 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 96 96 100 100 2.4-5.5 4.8=100 HE2 LYS 24 + HB2 LYS 24 OK 95 95 100 100 3.6-5.5 5.1=100 HE3 LYS 31 - HB2 LYS 26 far 5 100 5 - 6.6-15.7 HE2 LYS 31 - HB2 LYS 26 far 5 100 5 - 6.8-15.8 HE3 LYS 31 - HB2 LYS 19 far 5 100 5 - 6.4-27.0 HE2 LYS 31 - HB2 LYS 19 far 5 100 5 - 7.3-27.4 HE3 LYS 24 - HB2 LYS 19 far 5 99 5 - 6.8-15.7 HE3 LYS 26 - HB2 LYS 31 lone 2 96 25 8 4.4-12.1 6337/6331=2, 3.0/294=1 HE2 LYS 26 - HB2 LYS 31 lone 2 96 25 8 4.9-11.4 6338/6331=2, 3.0/294=1 HE3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.4-9.9 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.5-17.7 HE2 LYS 24 - HB2 LYS 19 far 0 95 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 97 0 - 7.8-17.5 HE3 LYS 19 - HB2 LYS 31 far 0 96 0 - 7.9-25.8 HE3 LYS 86 - HB2 LYS 19 far 0 98 0 - 8.3-35.8 HE2 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.3-10.9 HE2 LYS 24 - HB2 LYS 31 far 0 89 0 - 8.4-21.1 HE2 LYS 19 - HB2 LYS 31 far 0 92 0 - 8.4-24.2 HE3 LYS 36 - HB2 LYS 31 far 0 94 0 - 8.4-11.9 HE3 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.5-20.9 HE2 LYS 36 - HB2 LYS 31 far 0 91 0 - 8.8-11.9 HE2 LYS 26 - HB2 LYS 19 far 0 100 0 - 9.3-21.9 HE3 LYS 24 - HB2 LYS 31 far 0 94 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 613 from cnoeabs.peaks (2.97, 1.75, 32.72 ppm; 6.80 A): 8 out of 29 assignments used, quality = 1.00: * HE3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 3.5-5.0 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 4.2-5.5 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.5-4.5 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.2-5.4 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.9-4.6 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 96 96 100 100 3.0-5.1 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 96 96 100 100 2.4-5.5 4.8=100 HE2 LYS 24 + HB2 LYS 24 OK 95 95 100 100 3.6-5.5 5.1=100 HE3 LYS 31 - HB2 LYS 26 far 5 100 5 - 6.6-15.7 HE2 LYS 31 - HB2 LYS 26 far 5 100 5 - 6.8-15.8 HE3 LYS 31 - HB2 LYS 19 far 5 100 5 - 6.4-27.0 HE2 LYS 31 - HB2 LYS 19 far 5 100 5 - 7.3-27.4 HE3 LYS 24 - HB2 LYS 19 far 5 99 5 - 6.8-15.7 HE3 LYS 26 - HB2 LYS 31 lone 2 96 25 8 4.4-12.1 6337/6331=2, 3.0/294=1 HE2 LYS 26 - HB2 LYS 31 lone 2 96 25 8 4.9-11.4 6338/6331=2, 3.0/294=1 HE3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.4-9.9 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.5-17.7 HE2 LYS 24 - HB2 LYS 19 far 0 95 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 97 0 - 7.8-17.5 HE3 LYS 19 - HB2 LYS 31 far 0 96 0 - 7.9-25.8 HE3 LYS 86 - HB2 LYS 19 far 0 98 0 - 8.3-35.8 HE2 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.3-10.9 HE2 LYS 24 - HB2 LYS 31 far 0 89 0 - 8.4-21.1 HE2 LYS 19 - HB2 LYS 31 far 0 92 0 - 8.4-24.2 HE3 LYS 36 - HB2 LYS 31 far 0 94 0 - 8.4-11.9 HE3 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.5-20.9 HE2 LYS 36 - HB2 LYS 31 far 0 91 0 - 8.8-11.9 HE2 LYS 26 - HB2 LYS 19 far 0 100 0 - 9.3-21.9 HE3 LYS 24 - HB2 LYS 31 far 0 94 0 - 9.9-21.4 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 20 assignments used, quality = 1.00: * H GLN 27 + HB2 LYS 26 OK 95 100 95 100 2.0-4.3 6262=90, 6263/1.8=73...(10) H LYS 26 + HB2 LYS 26 OK 86 87 100 99 2.5-3.8 6250=80, 6251/1.8=48...(30) H LYS 24 + HB2 LYS 24 OK 84 84 100 100 2.4-3.6 6220=77, 6214/1.8=49...(21) H MET 11 - HB2 LYS 19 far 3 70 5 - 2.7-26.4 H LYS 24 - HB2 LYS 31 far 0 78 0 - 4.2-17.9 H LYS 26 - HB2 LYS 31 far 0 80 0 - 5.1-13.2 H GLN 27 - HB2 LYS 31 far 0 96 0 - 5.3-8.9 H ASP 35 - HB2 LYS 26 far 0 100 0 - 5.9-10.8 H LYS 26 - HB2 LYS 24 far 0 86 0 - 6.0-7.1 H LYS 24 - HB2 LYS 19 far 0 84 0 - 6.2-12.3 H GLN 27 - HB2 LYS 24 far 0 100 0 - 6.5-10.7 H SER 74 - HB2 LYS 19 far 0 84 0 - 7.9-35.7 H LYS 24 - HB2 LYS 26 far 0 85 0 - 7.9-9.4 H ASP 35 - HB2 LYS 24 far 0 100 0 - 8.5-16.1 H SER 74 - HB2 LYS 24 far 0 84 0 - 8.8-22.9 H MET 11 - HB2 LYS 31 far 0 64 0 - 9.0-38.8 H LYS 26 - HB2 LYS 19 far 0 86 0 - 9.1-18.2 H ASP 35 - HB2 LYS 31 far 0 96 0 - 9.3-9.8 H GLY 14 - HB2 LYS 19 far 0 77 0 - 9.5-17.8 H GLN 27 - HB2 LYS 19 far 0 100 0 - 9.7-19.5 Violated in 0 structures by 0.00 A. Peak 615 from cnoeabs.peaks (8.37, 1.82, 32.72 ppm; 3.54 A): 4 out of 20 assignments used, quality = 1.00: * H LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.8-3.7 6250/1.8=92, 6251=86...(28) H LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.7-3.9 6214=93, 6220/1.8=84...(18) H GLN 27 + HB3 LYS 26 OK 86 87 100 99 1.8-3.9 6263=80, 6262/1.8=60...(14) H LYS 19 + HB3 LYS 19 OK 73 74 100 100 3.5-3.6 3.9=72, 6149/1.8=63...(34) H ASP 35 - HB2 LYS 36 far 0 84 0 - 4.3-5.8 H LYS 24 - HB3 LYS 19 far 0 96 0 - 4.8-11.3 H LYS 24 - HB3 LYS 31 far 0 96 0 - 5.6-19.3 H LYS 26 - HB3 LYS 31 far 0 96 0 - 5.8-14.3 H LYS 26 - HB3 LYS 24 far 0 99 0 - 6.0-7.0 H GLN 27 - HB3 LYS 31 far 0 80 0 - 6.2-10.0 H ASP 35 - HB3 LYS 26 far 0 90 0 - 6.5-9.6 H GLN 27 - HB3 LYS 24 far 0 84 0 - 7.3-10.3 H LYS 26 - HB3 LYS 19 far 0 96 0 - 7.6-16.8 H LYS 19 - HB3 LYS 31 far 0 73 0 - 7.8-25.7 H ASP 35 - HB3 LYS 24 far 0 87 0 - 7.8-16.9 H GLN 27 - HB3 LYS 19 far 0 80 0 - 8.1-18.0 H LYS 19 - HB3 LYS 24 far 0 78 0 - 8.3-15.4 H LYS 24 - HB3 LYS 26 far 0 100 0 - 8.5-9.6 H GLY 14 - HB3 LYS 19 far 0 96 0 - 8.9-18.1 H LYS 26 - HB2 LYS 36 far 0 96 0 - 9.6-14.7 Violated in 0 structures by 0.00 A. Peak 616 from cnoeabs.peaks (4.27, 1.82, 32.72 ppm; 3.28 A): 4 out of 45 assignments used, quality = 1.00: * HA LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 19 + HB3 LYS 19 OK 96 96 100 100 2.5-2.7 3.0=100 HA LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.2-2.9 3.0=100 HA LYS 31 + HB3 LYS 31 OK 93 93 100 100 2.5-2.6 3.0=100 HA THR 25 - HB3 LYS 24 far 0 75 0 - 4.0-5.1 HA GLN 27 - HB3 LYS 26 far 0 71 0 - 4.1-5.2 HA ARG 23 - HB3 LYS 31 far 0 81 0 - 4.2-18.0 HA LYS 26 - HB3 LYS 31 far 0 96 0 - 4.5-12.4 HA LYS 31 - HB3 LYS 26 far 0 99 0 - 4.5-10.2 HA ALA 21 - HB3 LYS 24 far 0 78 0 - 4.9-10.5 HA ARG 23 - HB3 LYS 24 far 0 86 0 - 5.0-6.4 HA THR 25 - HB3 LYS 26 far 0 78 0 - 5.0-5.9 HA LEU 22 - HB3 LYS 24 far 0 99 0 - 5.3-7.5 HA ARG 23 - HB3 LYS 19 far 0 82 0 - 5.5-10.2 HA LYS 19 - HB3 LYS 24 far 0 99 0 - 5.5-13.9 HA LYS 31 - HB3 LYS 19 far 0 94 0 - 5.6-24.7 HA LYS 19 - HB3 LYS 31 far 0 96 0 - 5.7-24.3 HA ALA 16 - HB3 LYS 19 far 0 94 0 - 5.7-10.7 HA SER 74 - HB3 LYS 19 far 0 72 0 - 5.9-33.4 HA THR 25 - HB3 LYS 19 far 0 72 0 - 6.3-15.9 HA ALA 12 - HB3 LYS 19 far 0 84 0 - 6.3-23.2 HA THR 18 - HB3 LYS 19 far 0 69 0 - 6.4-6.6 HA ALA 15 - HB3 LYS 19 far 0 84 0 - 6.5-13.8 HA LYS 26 - HB3 LYS 24 far 0 99 0 - 6.7-8.2 HA GLN 27 - HB3 LYS 31 far 0 64 0 - 7.1-11.4 HA ALA 21 - HB3 LYS 19 far 0 74 0 - 7.2-8.0 HA SER 74 - HB3 LYS 24 far 0 75 0 - 7.3-23.2 HA LEU 22 - HB3 LYS 31 far 0 96 0 - 7.4-21.9 HA THR 25 - HB3 LYS 31 far 0 71 0 - 7.6-16.2 HA LEU 22 - HB3 LYS 19 far 0 96 0 - 7.6-9.6 HA LYS 26 - HB3 LYS 19 far 0 96 0 - 7.7-15.6 HA LYS 31 - HB2 LYS 36 far 0 94 0 - 7.8-9.5 HA GLN 27 - HB3 LYS 19 far 0 64 0 - 8.1-19.6 HA ARG 23 - HB3 LYS 26 far 0 89 0 - 8.1-10.1 HA LEU 22 - HB3 LYS 26 far 0 100 0 - 8.2-13.9 HA ALA 21 - HB3 LYS 31 far 0 73 0 - 8.4-23.5 HA LYS 36 - HB3 LYS 26 far 0 99 0 - 8.7-14.1 HA THR 25 - HB2 LYS 36 far 0 72 0 - 9.0-16.2 HA THR 18 - HB3 LYS 24 far 0 73 0 - 9.0-14.7 HA GLN 27 - HB3 LYS 24 far 0 68 0 - 9.2-10.6 HA ALA 12 - HB3 LYS 31 far 0 83 0 - 9.4-38.7 HA LYS 26 - HB2 LYS 36 far 0 96 0 - 9.4-16.2 HA THR 18 - HB3 LYS 31 far 0 69 0 - 9.5-26.0 HA ALA 16 - HB3 LYS 31 far 0 94 0 - 9.6-28.5 HA PHE 87 - HB3 LYS 19 far 0 96 0 - 9.8-38.8 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 23 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 31 - HB3 LYS 26 far 5 99 5 - 2.8-9.8 HB2 LYS 26 - HB3 LYS 31 far 0 96 0 - 3.3-12.5 HB2 ARG 23 - HB3 LYS 19 far 0 95 0 - 4.0-9.5 HB2 LYS 24 - HB3 LYS 19 far 0 96 0 - 4.2-14.4 HB2 ARG 23 - HB3 LYS 31 far 0 95 0 - 5.4-20.0 HB2 LYS 31 - HB3 LYS 19 far 0 94 0 - 6.3-22.1 HB2 ARG 23 - HB3 LYS 24 far 0 98 0 - 6.3-7.9 HB2 LYS 19 - HB3 LYS 31 far 0 96 0 - 6.5-25.3 HB2 LYS 19 - HB3 LYS 24 far 0 99 0 - 6.6-15.6 HG3 ARG 90 - HB3 LYS 19 far 0 80 0 - 7.1-35.7 HB2 LYS 24 - HB3 LYS 31 far 0 96 0 - 7.9-19.1 HB2 LYS 31 - HB3 LYS 24 far 0 97 0 - 7.9-18.7 HB2 LYS 26 - HB3 LYS 24 far 0 99 0 - 8.1-9.9 HB ILE 80 - HB3 LYS 19 far 0 88 0 - 8.3-34.8 HB2 LYS 26 - HB2 LYS 36 far 0 96 0 - 8.3-14.6 HB2 LYS 24 - HB3 LYS 26 far 0 100 0 - 8.6-10.2 HB2 ARG 23 - HB3 LYS 26 far 0 100 0 - 8.8-12.3 HB2 LYS 31 - HB2 LYS 36 far 0 94 0 - 9.1-11.4 HB2 LYS 26 - HB3 LYS 19 far 0 96 0 - 9.7-17.7 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): 5 out of 29 assignments used, quality = 1.00: * HG2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 92 92 100 100 2.3-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 92 92 100 100 2.4-2.7 2.9=100 HG3 LYS 19 + HB3 LYS 19 OK 91 91 100 100 2.2-2.2 3.0=100 HG13 ILE 32 + HB3 LYS 26 OK 38 99 45 85 3.2-5.7 1.8/913=25, 2.1/10751=23...(20) HG2 LYS 26 - HB3 LYS 31 far 10 96 10 - 3.5-12.8 HG2 LYS 31 - HB3 LYS 26 far 0 98 0 - 5.1-12.2 QB ALA 34 - HB2 LYS 36 far 0 87 0 - 5.4-6.8 HG13 ILE 32 - HB3 LYS 31 far 0 94 0 - 5.5-6.8 HG2 LYS 31 - HB3 LYS 19 far 0 93 0 - 5.6-22.9 HG3 LYS 24 - HB3 LYS 19 far 0 88 0 - 5.6-13.8 QB ALA 34 - HB3 LYS 26 far 0 93 0 - 6.0-8.6 HG3 LYS 19 - HB3 LYS 31 far 0 90 0 - 6.3-24.1 QB ALA 16 - HB3 LYS 31 far 0 56 0 - 6.4-24.2 QB ALA 16 - HB3 LYS 19 far 0 57 0 - 6.6-10.0 QB ALA 34 - HB3 LYS 19 far 0 87 0 - 6.8-21.7 QB ALA 34 - HB3 LYS 24 far 0 91 0 - 7.1-14.4 HG13 ILE 32 - HB2 LYS 36 far 0 95 0 - 7.2-9.3 HG2 LYS 26 - HB3 LYS 24 far 0 99 0 - 7.5-10.2 HG3 LYS 19 - HB3 LYS 24 far 0 94 0 - 7.9-15.5 HG2 LYS 86 - HB3 LYS 19 far 0 90 0 - 8.2-35.0 HG2 LYS 26 - HB2 LYS 36 far 0 96 0 - 8.3-12.6 HG3 LYS 24 - HB3 LYS 31 far 0 88 0 - 8.8-21.0 HG2 LYS 31 - HB2 LYS 36 far 0 93 0 - 9.0-11.1 HG2 LYS 31 - HB3 LYS 24 far 0 96 0 - 9.1-21.2 QB ALA 34 - HB3 LYS 31 far 0 86 0 - 9.3-10.0 HG2 LYS 26 - HB3 LYS 19 far 0 96 0 - 9.5-18.7 HG3 LYS 19 - HB3 LYS 26 far 0 97 0 - 9.9-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 98 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 620 from cnoeabs.peaks (1.38, 1.82, 32.72 ppm; 3.45 A): 5 out of 31 assignments used, quality = 1.00: * HG3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.4-3.0 2.9=100 HG2 LYS 36 + HB2 LYS 36 OK 96 96 100 100 2.7-2.9 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 2.7-2.8 3.0=100 QB ALA 28 - HB3 LYS 26 far 10 100 10 - 3.7-6.5 QB ALA 29 - HB3 LYS 26 far 5 100 5 - 4.0-7.6 HG3 LYS 31 - HB3 LYS 19 far 0 93 0 - 4.5-24.5 QB ALA 29 - HB2 LYS 36 far 0 96 0 - 5.0-8.1 HG3 LYS 31 - HB3 LYS 26 far 0 98 0 - 5.1-11.5 QB ALA 15 - HB3 LYS 19 far 0 96 0 - 5.1-12.8 HG3 LYS 26 - HB3 LYS 31 far 0 96 0 - 5.2-13.1 HG2 LYS 24 - HB3 LYS 19 far 0 96 0 - 5.9-12.2 QB ALA 12 - HB3 LYS 31 far 0 71 0 - 6.1-32.3 QB ALA 28 - HB3 LYS 31 far 0 96 0 - 6.3-7.6 QB ALA 28 - HB3 LYS 24 far 0 99 0 - 6.4-12.7 QB ALA 16 - HB3 LYS 31 far 0 69 0 - 6.4-24.2 QB ALA 16 - HB3 LYS 19 far 0 69 0 - 6.6-10.0 HG2 LYS 19 - HB3 LYS 31 far 0 81 0 - 6.7-24.1 QB ALA 12 - HB3 LYS 19 far 0 72 0 - 6.9-20.3 QB ALA 29 - HB3 LYS 31 far 0 96 0 - 7.0-7.7 HG3 LYS 31 - HB2 LYS 36 far 0 93 0 - 7.5-12.4 HG3 LYS 26 - HB3 LYS 24 far 0 99 0 - 7.5-8.6 HG2 LYS 24 - HB3 LYS 31 far 0 96 0 - 7.8-20.3 QB ALA 29 - HB3 LYS 24 far 0 99 0 - 7.8-14.9 HG3 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.9-18.0 HG2 LYS 19 - HB3 LYS 24 far 0 86 0 - 8.1-14.8 HG3 LYS 26 - HB2 LYS 36 far 0 96 0 - 8.6-13.7 HG3 LYS 31 - HB3 LYS 24 far 0 96 0 - 8.9-20.1 QB ALA 12 - HB2 LYS 36 far 0 72 0 - 9.6-35.7 QB ALA 28 - HB2 LYS 36 far 0 96 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 621 from cnoeabs.peaks (1.66, 1.82, 32.72 ppm; 3.89 A): 10 out of 36 assignments used, quality = 1.00: * HD2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-3.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-3.3 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.1-3.7 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.5-4.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.1-4.1 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.0-3.8 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 92 92 100 100 2.0-3.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 92 92 100 100 3.0-4.0 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 91 91 100 100 3.3-4.2 3.9=97, 6.2/6150=15...(78) HD2 LYS 19 + HB3 LYS 19 OK 91 91 100 100 3.5-4.1 3.9=97, 6.2/6150=15...(79) HD3 LYS 26 - HB3 LYS 31 far 10 96 10 - 3.5-10.7 HD3 LYS 31 - HB3 LYS 19 far 5 96 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 19 far 5 96 5 - 3.4-23.3 HD2 LYS 26 - HB3 LYS 31 far 0 96 0 - 4.7-11.2 HD2 LYS 31 - HB3 LYS 26 far 0 100 0 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 96 0 - 6.1-12.6 HD2 LYS 26 - HB2 LYS 36 far 0 96 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 96 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 96 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 96 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 100 0 - 6.8-12.2 HD3 LYS 86 - HB3 LYS 19 far 0 96 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 90 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 96 0 - 8.1-12.5 HD2 LYS 31 - HB2 LYS 36 far 0 96 0 - 8.3-12.3 HD2 LYS 19 - HB3 LYS 31 far 0 90 0 - 8.4-26.6 HD3 LYS 26 - HB3 LYS 24 far 0 99 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 94 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 99 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 91 0 - 9.3-10.5 HD3 LYS 24 - HB3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 96 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 96 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 97 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 94 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 96 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 622 from cnoeabs.peaks (1.66, 1.82, 32.72 ppm; 3.89 A): 10 out of 36 assignments used, quality = 1.00: * HD3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-3.3 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-3.2 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.1-3.7 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.5-4.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.1-4.1 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.0-3.8 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 93 93 100 100 3.3-4.2 3.9=97, 6.2/6150=15...(78) HD2 LYS 19 + HB3 LYS 19 OK 93 93 100 100 3.5-4.1 3.9=97, 6.2/6150=15...(79) HD2 LYS 36 + HB2 LYS 36 OK 90 90 100 100 2.0-3.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 90 90 100 100 3.0-4.0 3.5=100 HD3 LYS 26 - HB3 LYS 31 far 10 96 10 - 3.5-10.7 HD3 LYS 31 - HB3 LYS 19 far 5 96 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 19 far 5 96 5 - 3.4-23.3 HD2 LYS 26 - HB3 LYS 31 far 0 96 0 - 4.7-11.2 HD2 LYS 31 - HB3 LYS 26 far 0 100 0 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 96 0 - 6.1-12.6 HD2 LYS 26 - HB2 LYS 36 far 0 96 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 96 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 96 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 96 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 100 0 - 6.8-12.2 HD3 LYS 86 - HB3 LYS 19 far 0 96 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 92 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 96 0 - 8.1-12.5 HD2 LYS 31 - HB2 LYS 36 far 0 96 0 - 8.3-12.3 HD2 LYS 19 - HB3 LYS 31 far 0 92 0 - 8.4-26.6 HD3 LYS 26 - HB3 LYS 24 far 0 99 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 96 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 99 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 89 0 - 9.3-10.5 HD3 LYS 24 - HB3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 96 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 96 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 96 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 96 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 623 from cnoeabs.peaks (2.97, 1.82, 32.72 ppm; 6.80 A): 10 out of 34 assignments used, quality = 1.00: * HE2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.6-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.7-4.6 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 98 98 100 100 2.4-4.6 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 96 96 100 100 3.2-5.4 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.2-5.0 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.0-5.3 4.8=100 HE3 LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.8-4.2 4.9=100 HE2 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.0-5.0 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 93 93 100 100 3.3-5.4 5.1=100 HE2 LYS 36 + HB2 LYS 36 OK 92 92 100 100 3.5-4.5 4.9=100 HE3 LYS 26 - HB3 LYS 31 far 14 96 15 - 6.0-13.3 HE2 LYS 26 - HB3 LYS 31 far 14 96 15 - 6.3-12.4 HE2 LYS 26 - HB2 LYS 36 far 10 96 10 - 5.4-11.8 HE3 LYS 31 - HB3 LYS 26 far 5 100 5 - 6.5-14.0 HE2 LYS 31 - HB3 LYS 26 far 5 100 5 - 6.8-14.2 HE3 LYS 31 - HB3 LYS 19 far 5 96 5 - 4.9-25.2 HE3 LYS 26 - HB2 LYS 36 far 5 96 5 - 7.1-12.9 HE3 LYS 26 - HB3 LYS 19 far 5 96 5 - 7.3-19.5 HE2 LYS 31 - HB3 LYS 19 far 5 96 5 - 5.6-25.7 HE3 LYS 24 - HB3 LYS 19 far 5 95 5 - 5.6-14.9 HE3 LYS 86 - HB3 LYS 19 far 5 94 5 - 6.9-34.7 HE2 LYS 24 - HB3 LYS 19 far 4 90 5 - 6.7-14.4 HE3 LYS 26 - HB3 LYS 24 far 0 99 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 96 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 96 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 96 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 92 0 - 8.2-25.8 HE2 LYS 26 - HB3 LYS 24 far 0 99 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 96 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 99 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 94 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 96 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 89 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 91 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 624 from cnoeabs.peaks (2.97, 1.82, 32.72 ppm; 6.80 A): 10 out of 34 assignments used, quality = 1.00: HE2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.6-5.0 4.8=100 * HE3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.7-4.6 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 98 98 100 100 2.4-4.6 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 96 96 100 100 3.2-5.4 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.2-5.0 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.0-5.3 4.8=100 HE3 LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.8-4.2 4.9=100 HE2 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.0-5.0 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 93 93 100 100 3.3-5.4 5.1=100 HE2 LYS 36 + HB2 LYS 36 OK 92 92 100 100 3.5-4.5 4.9=100 HE3 LYS 26 - HB3 LYS 31 far 14 96 15 - 6.0-13.3 HE2 LYS 26 - HB3 LYS 31 far 14 96 15 - 6.3-12.4 HE2 LYS 26 - HB2 LYS 36 far 10 96 10 - 5.4-11.8 HE3 LYS 31 - HB3 LYS 26 far 5 100 5 - 6.5-14.0 HE2 LYS 31 - HB3 LYS 26 far 5 100 5 - 6.8-14.2 HE3 LYS 31 - HB3 LYS 19 far 5 96 5 - 4.9-25.2 HE3 LYS 26 - HB2 LYS 36 far 5 96 5 - 7.1-12.9 HE3 LYS 26 - HB3 LYS 19 far 5 96 5 - 7.3-19.5 HE2 LYS 31 - HB3 LYS 19 far 5 96 5 - 5.6-25.7 HE3 LYS 24 - HB3 LYS 19 far 5 95 5 - 5.6-14.9 HE3 LYS 86 - HB3 LYS 19 far 5 94 5 - 6.9-34.7 HE2 LYS 24 - HB3 LYS 19 far 4 90 5 - 6.7-14.4 HE3 LYS 26 - HB3 LYS 24 far 0 99 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 96 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 96 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 96 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 92 0 - 8.2-25.8 HE2 LYS 26 - HB3 LYS 24 far 0 99 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 96 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 99 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 94 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 96 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 89 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 91 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 625 from cnoeabs.peaks (8.39, 1.82, 32.72 ppm; 3.45 A): 3 out of 21 assignments used, quality = 1.00: * H GLN 27 + HB3 LYS 26 OK 100 100 100 100 1.8-3.9 6263=100, 6262/1.8=71...(13) H LYS 26 + HB3 LYS 26 OK 86 87 100 100 2.8-3.7 6250/1.8=72, 6251=64...(28) H LYS 24 + HB3 LYS 24 OK 82 82 100 100 2.7-3.9 6214=67, 3.0/482=65...(18) H MET 11 - HB3 LYS 19 far 3 64 5 - 2.0-27.8 H ASP 35 - HB2 LYS 36 far 0 96 0 - 4.3-5.8 H LYS 24 - HB3 LYS 19 far 0 78 0 - 4.8-11.3 H LYS 24 - HB3 LYS 31 far 0 78 0 - 5.6-19.3 H LYS 26 - HB3 LYS 31 far 0 80 0 - 5.8-14.3 H LYS 26 - HB3 LYS 24 far 0 84 0 - 6.0-7.0 H GLN 27 - HB3 LYS 31 far 0 96 0 - 6.2-10.0 H ASP 35 - HB3 LYS 26 far 0 100 0 - 6.5-9.6 H GLN 27 - HB3 LYS 24 far 0 99 0 - 7.3-10.3 H SER 74 - HB3 LYS 24 far 0 82 0 - 7.4-24.1 H LYS 26 - HB3 LYS 19 far 0 80 0 - 7.6-16.8 H ASP 35 - HB3 LYS 24 far 0 99 0 - 7.8-16.9 H GLN 27 - HB3 LYS 19 far 0 96 0 - 8.1-18.0 H SER 74 - HB3 LYS 19 far 0 78 0 - 8.5-34.4 H LYS 24 - HB3 LYS 26 far 0 85 0 - 8.5-9.6 H GLY 14 - HB3 LYS 19 far 0 72 0 - 8.9-18.1 H LYS 26 - HB2 LYS 36 far 0 80 0 - 9.6-14.7 H MET 11 - HB3 LYS 31 far 0 64 0 - 10.0-39.9 Violated in 0 structures by 0.00 A. Peak 626 from cnoeabs.peaks (8.37, 1.43, 24.54 ppm; 4.89 A): 4 out of 20 assignments used, quality = 1.00: * H LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.6-3.9 6252=100, 6253/1.8=99...(52) H GLN 27 + HG2 LYS 26 OK 87 87 100 100 3.0-4.7 5.0=95, 6263/3.0=74...(19) H LYS 24 + HG3 LYS 24 OK 82 82 100 100 2.6-3.7 6222/1.8=100...(30) H LYS 19 + HG3 LYS 19 OK 65 65 100 100 3.4-3.7 4.9=100 H ASP 35 - HG2 LYS 26 far 5 90 5 - 5.4-9.9 H LYS 24 - HG2 LYS 31 far 4 83 5 - 5.5-20.1 H LYS 24 - HG3 LYS 19 far 0 88 0 - 6.5-12.1 H LYS 26 - HG2 LYS 31 far 0 83 0 - 6.8-15.7 H GLY 14 - HG3 LYS 19 far 0 87 0 - 6.9-17.3 H LYS 19 - HG3 LYS 24 far 0 59 0 - 7.1-14.6 H GLN 27 - HG2 LYS 31 far 0 66 0 - 7.3-11.4 H LYS 24 - HG2 LYS 26 far 0 100 0 - 7.5-10.2 H LYS 19 - HG2 LYS 31 far 0 60 0 - 7.6-25.0 H GLN 27 - HG3 LYS 19 far 0 71 0 - 8.2-18.7 H LYS 26 - HG3 LYS 24 far 0 82 0 - 8.4-8.8 H LYS 26 - HG3 LYS 19 far 0 88 0 - 8.6-17.2 H GLN 27 - HG3 LYS 24 far 0 65 0 - 8.7-11.8 H ASP 35 - HG3 LYS 24 far 0 68 0 - 9.5-18.1 H LYS 86 - HG3 LYS 19 far 0 44 0 - 9.6-39.5 H ASP 35 - HG2 LYS 31 far 0 70 0 - 9.6-11.3 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 40 assignments used, quality = 1.00: * HA LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.9-4.2 4.0=79, 2.9/6252=60...(31) HA LYS 19 + HG3 LYS 19 OK 87 88 100 99 4.2-4.2 4.2=73, 3.0/6152=39...(40) HA LYS 31 + HG2 LYS 31 OK 79 80 100 99 2.2-3.7 3.8=94, ~6332=25...(21) HA LEU 22 + HG3 LYS 24 OK 21 82 45 57 3.6-7.2 374/10756=15, ~1309=12...(12) HA THR 25 - HG2 LYS 26 poor 16 78 20 - 3.4-5.7 HA ALA 16 - HG3 LYS 19 far 4 85 5 - 4.0-9.6 HA LYS 19 - HG3 LYS 24 far 4 82 5 - 4.3-12.8 HA ARG 23 - HG2 LYS 31 far 3 68 5 - 3.0-18.6 HA ALA 15 - HG3 LYS 19 far 0 74 0 - 4.4-13.1 HA GLN 27 - HG2 LYS 26 far 0 71 0 - 4.7-6.9 HA ARG 23 - HG3 LYS 24 far 0 66 0 - 4.8-6.7 HA ALA 21 - HG3 LYS 24 far 0 59 0 - 5.0-10.5 HA SER 74 - HG3 LYS 19 far 0 63 0 - 5.1-34.0 HA LYS 31 - HG2 LYS 26 far 0 99 0 - 5.1-11.8 HA ALA 12 - HG3 LYS 19 far 0 74 0 - 5.5-22.9 HA LYS 31 - HG3 LYS 19 far 0 85 0 - 6.2-25.0 HA LYS 19 - HG2 LYS 31 far 0 83 0 - 6.3-23.8 HA THR 25 - HG3 LYS 24 far 0 57 0 - 6.4-6.9 HA THR 18 - HG3 LYS 19 far 0 60 0 - 6.4-6.9 HA LYS 26 - HG2 LYS 31 far 0 83 0 - 6.5-13.6 HA ARG 23 - HG2 LYS 26 far 0 89 0 - 6.6-11.4 HA ALA 21 - HG2 LYS 31 far 0 60 0 - 6.7-24.0 HA LEU 22 - HG2 LYS 31 far 0 83 0 - 7.0-21.4 HA ALA 12 - HG2 LYS 31 far 0 70 0 - 7.1-37.0 HA ARG 23 - HG3 LYS 19 far 0 73 0 - 7.2-11.5 HA THR 25 - HG3 LYS 19 far 0 63 0 - 7.7-16.4 HA GLN 27 - HG3 LYS 19 far 0 56 0 - 7.7-20.5 HA ALA 21 - HG3 LYS 19 far 0 65 0 - 7.8-8.4 HA LYS 26 - HG3 LYS 19 far 0 88 0 - 7.8-16.3 HA PHE 87 - HG3 LYS 19 far 0 87 0 - 8.0-39.9 HA LYS 36 - HG2 LYS 26 far 0 99 0 - 8.1-13.8 HA THR 18 - HG3 LYS 24 far 0 55 0 - 8.1-14.4 HA LYS 26 - HG3 LYS 24 far 0 82 0 - 8.4-9.7 HA THR 25 - HG2 LYS 31 far 0 58 0 - 8.5-17.3 HA THR 18 - HG2 LYS 31 far 0 56 0 - 8.8-25.6 HA LEU 22 - HG3 LYS 19 far 0 88 0 - 9.1-10.5 HA GLN 27 - HG2 LYS 31 far 0 52 0 - 9.1-13.1 HA LEU 22 - HG2 LYS 26 far 0 100 0 - 9.1-14.4 HA ALA 16 - HG2 LYS 31 far 0 81 0 - 9.2-27.3 HA SER 74 - HG3 LYS 24 far 0 57 0 - 9.4-24.1 Violated in 0 structures by 0.00 A. Peak 628 from cnoeabs.peaks (1.75, 1.43, 24.54 ppm; 3.49 A): 4 out of 21 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 2.7-2.8 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 2.2-2.9 3.0=100 HB2 LYS 31 - HG2 LYS 26 poor 20 99 20 - 2.4-11.6 HB2 ARG 23 - HG2 LYS 31 far 4 82 5 - 3.0-20.5 HB2 LYS 26 - HG2 LYS 31 far 0 83 0 - 4.5-14.0 HB2 ARG 23 - HG3 LYS 24 far 0 80 0 - 4.8-8.2 HG3 ARG 90 - HG3 LYS 19 far 0 71 0 - 5.3-36.6 HB2 ARG 23 - HG3 LYS 19 far 0 87 0 - 5.8-11.0 HB2 ARG 23 - HG2 LYS 26 far 0 100 0 - 6.1-13.4 HB2 LYS 19 - HG3 LYS 24 far 0 82 0 - 6.1-14.5 HB2 LYS 24 - HG3 LYS 19 far 0 87 0 - 6.3-15.3 HB2 LYS 31 - HG3 LYS 19 far 0 85 0 - 6.6-22.5 HB2 LYS 19 - HG2 LYS 31 far 0 83 0 - 7.2-24.6 HB2 LYS 24 - HG2 LYS 26 far 0 100 0 - 7.3-9.8 HB2 LYS 31 - HG3 LYS 24 far 0 79 0 - 7.4-19.6 HB2 LYS 24 - HG2 LYS 31 far 0 83 0 - 8.1-20.1 HB ILE 80 - HG3 LYS 19 far 0 79 0 - 8.2-35.9 HB2 LYS 26 - HG3 LYS 19 far 0 88 0 - 9.5-17.7 HB2 LYS 26 - HG3 LYS 24 far 0 82 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 629 from cnoeabs.peaks (1.82, 1.43, 24.54 ppm; 3.53 A): 4 out of 28 assignments used, quality = 1.00: * HB3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 19 + HG3 LYS 19 OK 85 85 100 100 2.2-2.2 3.0=100 HB3 LYS 31 + HG2 LYS 31 OK 81 81 100 100 2.3-3.0 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 80 80 100 100 2.4-2.7 2.9=100 HB3 LYS 31 - HG2 LYS 26 far 10 99 10 - 3.5-12.8 HB3 ARG 23 - HG3 LYS 24 far 0 81 0 - 4.3-7.9 HB3 ARG 23 - HG2 LYS 31 far 0 82 0 - 4.5-21.6 HB3 ARG 23 - HG2 LYS 26 far 0 100 0 - 4.5-13.3 HB ILE 32 - HG2 LYS 26 far 0 100 0 - 5.1-7.5 HB3 LYS 26 - HG2 LYS 31 far 0 83 0 - 5.1-12.2 HB3 LYS 19 - HG2 LYS 31 far 0 81 0 - 5.6-22.9 HB3 LYS 19 - HG3 LYS 24 far 0 79 0 - 5.6-13.8 HB3 LYS 31 - HG3 LYS 19 far 0 85 0 - 6.3-24.1 HB ILE 32 - HG2 LYS 31 far 0 83 0 - 6.8-8.1 HB3 ARG 23 - HG3 LYS 19 far 0 87 0 - 7.1-11.4 HB3 LYS 24 - HG2 LYS 26 far 0 100 0 - 7.5-10.2 HB2 LYS 86 - HG3 LYS 19 far 0 58 0 - 7.6-37.3 HB3 LYS 24 - HG3 LYS 19 far 0 87 0 - 7.9-15.5 HB2 CYS 79 - HG3 LYS 24 far 0 61 0 - 8.1-24.5 HB2 LYS 36 - HG2 LYS 26 far 0 100 0 - 8.3-12.6 HB2 CYS 79 - HG3 LYS 19 far 0 67 0 - 8.4-32.1 HB VAL 93 - HG3 LYS 19 far 0 84 0 - 8.6-39.5 HB3 LYS 31 - HG3 LYS 24 far 0 79 0 - 8.8-21.0 HB2 LYS 36 - HG2 LYS 31 far 0 83 0 - 9.0-11.1 HB3 LYS 24 - HG2 LYS 31 far 0 82 0 - 9.1-21.2 HB2 CYS 79 - HG2 LYS 26 far 0 83 0 - 9.3-16.4 HB3 LYS 19 - HG2 LYS 26 far 0 99 0 - 9.5-18.7 HB3 LYS 26 - HG3 LYS 19 far 0 88 0 - 9.9-18.0 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 27 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 29 - HG2 LYS 26 far 5 100 5 - 3.0-8.2 QB ALA 15 - HG3 LYS 19 far 0 88 0 - 3.8-11.7 QB ALA 12 - HG2 LYS 31 far 0 58 0 - 4.3-31.0 HG3 LYS 31 - HG2 LYS 26 far 0 98 0 - 4.7-13.7 QB ALA 16 - HG3 LYS 19 far 0 60 0 - 4.9-8.8 QB ALA 28 - HG2 LYS 26 far 0 100 0 - 5.0-8.7 HG3 LYS 31 - HG3 LYS 19 far 0 84 0 - 5.7-24.8 HG3 LYS 26 - HG2 LYS 31 far 0 83 0 - 5.9-14.2 QB ALA 16 - HG2 LYS 31 far 0 56 0 - 6.1-23.6 HG2 LYS 19 - HG2 LYS 31 far 0 68 0 - 6.2-23.2 QB ALA 12 - HG3 LYS 19 far 0 63 0 - 6.3-19.8 QB ALA 28 - HG3 LYS 24 far 0 82 0 - 6.3-14.2 HG2 LYS 24 - HG2 LYS 31 far 0 83 0 - 7.5-21.3 HG2 LYS 19 - HG3 LYS 24 far 0 66 0 - 7.6-13.9 HG3 LYS 31 - HG3 LYS 24 far 0 77 0 - 7.7-21.4 QB ALA 29 - HG2 LYS 31 far 0 83 0 - 7.9-9.1 HG2 LYS 24 - HG3 LYS 19 far 0 88 0 - 8.0-13.2 QB ALA 28 - HG2 LYS 31 far 0 83 0 - 8.2-9.6 HG3 LYS 26 - HG3 LYS 19 far 0 88 0 - 8.4-18.3 HG2 LYS 24 - HG2 LYS 26 far 0 100 0 - 9.0-11.7 HG3 LYS 26 - HG3 LYS 24 far 0 82 0 - 9.1-10.6 QB ALA 15 - HG2 LYS 26 far 0 100 0 - 9.1-21.9 QB ALA 29 - HG3 LYS 24 far 0 82 0 - 9.9-16.2 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 32 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 2.2-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.2-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HG3 LYS 24 OK 82 82 100 100 2.3-3.0 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 2.3-2.8 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 82 82 100 100 2.9-3.0 3.0=100 HD3 LYS 31 - HG3 LYS 19 far 4 88 5 - 3.5-23.9 HD2 LYS 31 - HG3 LYS 19 far 4 88 5 - 4.2-23.7 HD3 LYS 26 - HG2 LYS 31 far 4 83 5 - 4.0-11.7 HD3 LYS 31 - HG2 LYS 26 far 0 100 0 - 5.1-14.0 HD2 LYS 31 - HG2 LYS 26 far 0 100 0 - 5.2-13.9 HD2 LYS 26 - HG2 LYS 31 far 0 83 0 - 5.7-12.1 HD2 LYS 86 - HG3 LYS 19 far 0 88 0 - 6.6-34.0 HD3 LYS 86 - HG3 LYS 19 far 0 88 0 - 7.2-35.0 HD3 LYS 24 - HG3 LYS 19 far 0 88 0 - 7.6-15.9 HD2 LYS 19 - HG3 LYS 24 far 0 75 0 - 8.0-16.0 HD2 LYS 36 - HG2 LYS 31 far 0 78 0 - 8.0-10.5 HD3 LYS 24 - HG2 LYS 26 far 0 100 0 - 8.3-12.6 HD2 LYS 24 - HG3 LYS 19 far 0 88 0 - 8.4-15.6 HD3 LYS 19 - HG2 LYS 31 far 0 77 0 - 8.5-25.2 HD2 LYS 19 - HG2 LYS 31 far 0 77 0 - 8.5-25.7 HD3 LYS 26 - HG3 LYS 19 far 0 88 0 - 9.0-20.4 HD3 LYS 36 - HG2 LYS 31 far 0 78 0 - 9.2-11.8 HD2 LYS 36 - HG2 LYS 26 far 0 97 0 - 9.2-12.8 HD3 LYS 19 - HG3 LYS 24 far 0 75 0 - 9.2-16.2 HD2 LYS 24 - HG2 LYS 26 far 0 100 0 - 9.4-13.2 HD2 LYS 26 - HG3 LYS 19 far 0 88 0 - 9.5-19.8 HD2 LYS 86 - HG3 LYS 24 far 0 82 0 - 9.7-25.0 HD3 LYS 31 - HG3 LYS 24 far 0 82 0 - 9.8-22.2 HD2 LYS 24 - HG2 LYS 31 far 0 83 0 - 10.0-23.6 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 32 assignments used, quality = 1.00: * HD3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-3.0 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 2.3-2.8 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 84 84 100 100 2.9-3.0 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.2-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HG3 LYS 24 OK 82 82 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 81 81 100 100 2.2-3.0 3.0=100 HD3 LYS 31 - HG3 LYS 19 far 4 88 5 - 3.5-23.9 HD2 LYS 31 - HG3 LYS 19 far 4 87 5 - 4.2-23.7 HD3 LYS 26 - HG2 LYS 31 far 4 83 5 - 4.0-11.7 HD3 LYS 31 - HG2 LYS 26 far 0 100 0 - 5.1-14.0 HD2 LYS 31 - HG2 LYS 26 far 0 100 0 - 5.2-13.9 HD2 LYS 26 - HG2 LYS 31 far 0 83 0 - 5.7-12.1 HD2 LYS 86 - HG3 LYS 19 far 0 88 0 - 6.6-34.0 HD3 LYS 86 - HG3 LYS 19 far 0 88 0 - 7.2-35.0 HD3 LYS 24 - HG3 LYS 19 far 0 88 0 - 7.6-15.9 HD2 LYS 19 - HG3 LYS 24 far 0 77 0 - 8.0-16.0 HD2 LYS 36 - HG2 LYS 31 far 0 76 0 - 8.0-10.5 HD3 LYS 24 - HG2 LYS 26 far 0 100 0 - 8.3-12.6 HD2 LYS 24 - HG3 LYS 19 far 0 87 0 - 8.4-15.6 HD3 LYS 19 - HG2 LYS 31 far 0 79 0 - 8.5-25.2 HD2 LYS 19 - HG2 LYS 31 far 0 79 0 - 8.5-25.7 HD3 LYS 26 - HG3 LYS 19 far 0 88 0 - 9.0-20.4 HD3 LYS 36 - HG2 LYS 31 far 0 76 0 - 9.2-11.8 HD2 LYS 36 - HG2 LYS 26 far 0 96 0 - 9.2-12.8 HD3 LYS 19 - HG3 LYS 24 far 0 77 0 - 9.2-16.2 HD2 LYS 24 - HG2 LYS 26 far 0 100 0 - 9.4-13.2 HD2 LYS 26 - HG3 LYS 19 far 0 88 0 - 9.5-19.8 HD2 LYS 86 - HG3 LYS 24 far 0 82 0 - 9.7-25.0 HD3 LYS 31 - HG3 LYS 24 far 0 82 0 - 9.8-22.2 HD2 LYS 24 - HG2 LYS 31 far 0 83 0 - 10.0-23.6 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 30 assignments used, quality = 1.00: HE3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-3.8 3.6=100 * HE2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.7-4.1 3.6=100 HE3 LYS 19 + HG3 LYS 19 OK 87 87 100 100 2.2-3.7 3.8=100 HE2 LYS 19 + HG3 LYS 19 OK 84 84 100 100 2.1-3.9 3.8=100 HE3 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.1-4.0 3.7=100 HE3 LYS 24 + HG3 LYS 24 OK 80 80 100 100 2.3-3.9 4.0=100 HE2 LYS 24 + HG3 LYS 24 OK 74 74 100 100 2.3-4.0 4.0=100 HE3 LYS 31 - HG3 LYS 19 far 4 88 5 - 4.4-25.7 HE2 LYS 31 - HG3 LYS 19 far 0 87 0 - 5.6-26.1 HE3 LYS 86 - HG3 LYS 19 far 0 85 0 - 5.8-35.8 HE3 LYS 26 - HG2 LYS 31 far 0 83 0 - 5.9-14.3 HE2 LYS 26 - HG2 LYS 31 far 0 83 0 - 6.5-13.4 HE2 LYS 31 - HG2 LYS 26 far 0 100 0 - 6.6-15.6 HE3 LYS 31 - HG2 LYS 26 far 0 100 0 - 7.0-15.5 HE3 LYS 24 - HG3 LYS 19 far 0 86 0 - 7.0-15.8 HE3 LYS 26 - HG3 LYS 19 far 0 88 0 - 7.3-20.0 HE3 LYS 36 - HG2 LYS 31 far 0 81 0 - 7.4-12.4 HE2 LYS 26 - HG3 LYS 19 far 0 88 0 - 7.6-21.0 HE3 LYS 19 - HG2 LYS 31 far 0 83 0 - 7.7-26.4 HE2 LYS 36 - HG2 LYS 31 far 0 78 0 - 8.0-11.8 HE2 LYS 19 - HG2 LYS 31 far 0 79 0 - 8.4-24.8 HE2 LYS 24 - HG3 LYS 19 far 0 80 0 - 8.4-15.9 HE3 LYS 19 - HG3 LYS 24 far 0 81 0 - 8.6-17.0 HE2 LYS 24 - HG2 LYS 31 far 0 76 0 - 9.0-23.6 HE2 LYS 19 - HG3 LYS 24 far 0 77 0 - 9.3-16.7 HE3 LYS 26 - HG3 LYS 24 far 0 82 0 - 9.3-11.4 HE2 LYS 26 - HG3 LYS 24 far 0 82 0 - 9.7-13.1 HE3 LYS 86 - HG3 LYS 24 far 0 78 0 - 9.8-26.1 HE3 LYS 36 - HG2 LYS 26 far 0 99 0 - 9.8-14.5 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 30 assignments used, quality = 1.00: * HE3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-3.8 3.6=100 HE2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.7-4.1 3.6=100 HE3 LYS 19 + HG3 LYS 19 OK 87 87 100 100 2.2-3.7 3.8=100 HE2 LYS 19 + HG3 LYS 19 OK 84 84 100 100 2.1-3.9 3.8=100 HE3 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.1-4.0 3.7=100 HE3 LYS 24 + HG3 LYS 24 OK 80 80 100 100 2.3-3.9 4.0=100 HE2 LYS 24 + HG3 LYS 24 OK 74 74 100 100 2.3-4.0 4.0=100 HE3 LYS 31 - HG3 LYS 19 far 4 88 5 - 4.4-25.7 HE2 LYS 31 - HG3 LYS 19 far 0 87 0 - 5.6-26.1 HE3 LYS 86 - HG3 LYS 19 far 0 85 0 - 5.8-35.8 HE3 LYS 26 - HG2 LYS 31 far 0 83 0 - 5.9-14.3 HE2 LYS 26 - HG2 LYS 31 far 0 83 0 - 6.5-13.4 HE2 LYS 31 - HG2 LYS 26 far 0 100 0 - 6.6-15.6 HE3 LYS 31 - HG2 LYS 26 far 0 100 0 - 7.0-15.5 HE3 LYS 24 - HG3 LYS 19 far 0 86 0 - 7.0-15.8 HE3 LYS 26 - HG3 LYS 19 far 0 88 0 - 7.3-20.0 HE3 LYS 36 - HG2 LYS 31 far 0 81 0 - 7.4-12.4 HE2 LYS 26 - HG3 LYS 19 far 0 88 0 - 7.6-21.0 HE3 LYS 19 - HG2 LYS 31 far 0 83 0 - 7.7-26.4 HE2 LYS 36 - HG2 LYS 31 far 0 78 0 - 8.0-11.8 HE2 LYS 19 - HG2 LYS 31 far 0 79 0 - 8.4-24.8 HE2 LYS 24 - HG3 LYS 19 far 0 80 0 - 8.4-15.9 HE3 LYS 19 - HG3 LYS 24 far 0 81 0 - 8.6-17.0 HE2 LYS 24 - HG2 LYS 31 far 0 76 0 - 9.0-23.6 HE2 LYS 19 - HG3 LYS 24 far 0 77 0 - 9.3-16.7 HE3 LYS 26 - HG3 LYS 24 far 0 82 0 - 9.3-11.4 HE2 LYS 26 - HG3 LYS 24 far 0 82 0 - 9.7-13.1 HE3 LYS 86 - HG3 LYS 24 far 0 78 0 - 9.8-26.1 HE3 LYS 36 - HG2 LYS 26 far 0 99 0 - 9.8-14.5 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 20 assignments used, quality = 1.00: * H GLN 27 + HG2 LYS 26 OK 100 100 100 100 3.0-4.7 6263/3.0=90, 5.0=87...(19) H LYS 26 + HG2 LYS 26 OK 87 87 100 100 2.6-3.9 4.9=89, 6253/1.8=79...(52) H LYS 24 + HG3 LYS 24 OK 63 63 100 100 2.6-3.7 5.1=82, 6222/1.8=77...(30) H MET 11 - HG3 LYS 19 far 3 56 5 - 2.8-27.7 H ASP 35 - HG2 LYS 26 far 0 100 0 - 5.4-9.9 H LYS 24 - HG2 LYS 31 far 0 64 0 - 5.5-20.1 H LYS 24 - HG3 LYS 19 far 0 69 0 - 6.5-12.1 H LYS 26 - HG2 LYS 31 far 0 66 0 - 6.8-15.7 H GLY 14 - HG3 LYS 19 far 0 63 0 - 6.9-17.3 H GLN 27 - HG2 LYS 31 far 0 83 0 - 7.3-11.4 H LYS 24 - HG2 LYS 26 far 0 85 0 - 7.5-10.2 H SER 74 - HG3 LYS 19 far 0 69 0 - 7.8-34.9 H MET 11 - HG2 LYS 31 far 0 52 0 - 8.1-38.5 H GLN 27 - HG3 LYS 19 far 0 88 0 - 8.2-18.7 H LYS 26 - HG3 LYS 24 far 0 65 0 - 8.4-8.8 H LYS 26 - HG3 LYS 19 far 0 71 0 - 8.6-17.2 H GLN 27 - HG3 LYS 24 far 0 82 0 - 8.7-11.8 H SER 74 - HG3 LYS 24 far 0 63 0 - 9.4-25.0 H ASP 35 - HG3 LYS 24 far 0 82 0 - 9.5-18.1 H ASP 35 - HG2 LYS 31 far 0 83 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 637 from cnoeabs.peaks (8.37, 1.38, 24.54 ppm; 4.45 A): 4 out of 19 assignments used, quality = 1.00: * H LYS 26 + HG3 LYS 26 OK 100 100 100 100 1.7-3.0 6253=100, 6252/1.8=94...(46) H LYS 24 + HG2 LYS 24 OK 99 99 100 100 1.9-3.3 6222=100, 6223/1.8=94...(29) H GLN 27 + HG3 LYS 26 OK 87 87 100 100 2.4-4.6 5.0=72, 6263/3.0=67...(14) H LYS 19 + HG2 LYS 19 OK 48 48 100 100 1.9-2.5 4.9=76, 6149/3.0=64...(51) H LYS 24 - HG3 LYS 31 far 0 83 0 - 5.2-19.3 H ASP 35 - HG3 LYS 26 far 0 90 0 - 5.6-9.7 H ASP 35 - HG2 LYS 36 far 0 49 0 - 6.2-6.5 H LYS 24 - HG2 LYS 19 far 0 68 0 - 6.3-11.2 H LYS 19 - HG3 LYS 31 far 0 60 0 - 6.5-26.7 H LYS 24 - HG3 LYS 26 far 0 100 0 - 7.3-8.8 H LYS 26 - HG3 LYS 31 far 0 83 0 - 7.3-14.7 H LYS 19 - HG2 LYS 24 far 0 78 0 - 7.4-12.9 H GLY 14 - HG2 LYS 19 far 0 67 0 - 7.4-15.8 H GLN 27 - HG3 LYS 31 far 0 66 0 - 7.5-10.6 H LYS 26 - HG2 LYS 24 far 0 99 0 - 8.1-8.5 H GLN 27 - HG2 LYS 24 far 0 84 0 - 8.3-11.2 H ASP 35 - HG3 LYS 31 far 0 70 0 - 9.1-11.8 H GLN 27 - HG2 LYS 19 far 0 53 0 - 9.3-18.3 H LYS 26 - HG2 LYS 19 far 0 68 0 - 9.7-16.7 Violated in 0 structures by 0.00 A. Peak 638 from cnoeabs.peaks (4.27, 1.38, 24.54 ppm; 3.80 A): 6 out of 45 assignments used, quality = 1.00: * HA LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.6-3.7 4.0=83, 2.9/6253=63...(31) HA LYS 31 + HG3 LYS 31 OK 79 80 100 100 2.2-3.7 3.8=100 HA THR 25 + HG3 LYS 26 OK 73 78 100 93 3.1-4.0 11150=66, 3.6/6253=53...(10) HA LYS 19 + HG2 LYS 19 OK 67 68 100 100 3.5-3.6 4.2=77, 3.0/6151=49...(39) HA LYS 36 + HG2 LYS 36 OK 58 58 100 100 3.1-3.3 4.1=78, 3.0/6394=57...(29) HA LEU 22 + HG2 LYS 24 OK 39 99 60 65 2.7-6.3 374/10703=23...(13) HA ARG 23 - HG2 LYS 24 poor 17 86 20 - 4.1-5.3 HA ALA 21 - HG2 LYS 24 far 4 78 5 - 3.3-8.9 HA ARG 23 - HG3 LYS 31 far 3 68 5 - 3.3-17.9 HA ALA 16 - HG2 LYS 19 far 3 65 5 - 3.4-8.5 HA GLN 27 - HG3 LYS 26 far 0 71 0 - 4.4-6.6 HA THR 18 - HG2 LYS 19 far 0 44 0 - 4.7-5.2 HA LYS 19 - HG2 LYS 24 far 0 99 0 - 4.8-11.2 HA LYS 19 - HG3 LYS 31 far 0 83 0 - 4.8-25.5 HA ALA 15 - HG2 LYS 19 far 0 56 0 - 5.5-11.6 HA LEU 22 - HG3 LYS 31 far 0 83 0 - 6.0-22.9 HA ALA 21 - HG3 LYS 31 far 0 60 0 - 6.0-24.0 HA ALA 21 - HG2 LYS 19 far 0 48 0 - 6.3-6.9 HA THR 25 - HG2 LYS 24 far 0 76 0 - 6.3-6.5 HA LYS 31 - HG3 LYS 26 far 0 99 0 - 6.6-12.4 HA SER 74 - HG2 LYS 19 far 0 46 0 - 6.7-33.1 HA LYS 26 - HG3 LYS 31 far 0 83 0 - 6.8-12.7 HA ARG 23 - HG2 LYS 19 far 0 54 0 - 6.8-10.5 HA ARG 23 - HG3 LYS 26 far 0 89 0 - 6.9-9.9 HA ALA 12 - HG3 LYS 31 far 0 70 0 - 6.9-38.6 HA LYS 31 - HG2 LYS 19 far 0 65 0 - 6.9-25.0 HA ALA 12 - HG2 LYS 19 far 0 56 0 - 7.0-21.6 HA LEU 22 - HG3 LYS 26 far 0 100 0 - 7.5-13.1 HA THR 18 - HG2 LYS 24 far 0 73 0 - 7.5-12.7 HA THR 18 - HG3 LYS 31 far 0 56 0 - 7.6-27.1 HA LYS 36 - HG3 LYS 26 far 0 99 0 - 7.8-13.9 HA LEU 22 - HG2 LYS 19 far 0 68 0 - 7.9-9.4 HA LYS 26 - HG2 LYS 24 far 0 99 0 - 8.0-9.2 HA GLN 27 - HG2 LYS 19 far 0 41 0 - 8.7-19.9 HA THR 25 - HG2 LYS 19 far 0 46 0 - 8.7-15.3 HA PHE 87 - HG2 LYS 19 far 0 67 0 - 8.7-38.9 HA ALA 21 - HG3 LYS 26 far 0 81 0 - 8.9-15.7 HA GLN 27 - HG3 LYS 31 far 0 52 0 - 8.9-12.5 HA LYS 26 - HG2 LYS 19 far 0 68 0 - 8.9-15.8 HA THR 25 - HG3 LYS 31 far 0 58 0 - 9.2-16.6 HA THR 18 - HG3 LYS 26 far 0 76 0 - 9.4-18.6 HA ALA 16 - HG3 LYS 31 far 0 81 0 - 9.4-28.3 HA LYS 31 - HG2 LYS 24 far 0 97 0 - 9.5-19.9 HA LYS 19 - HG3 LYS 26 far 0 100 0 - 9.9-17.8 HA GLN 27 - HG2 LYS 24 far 0 68 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 639 from cnoeabs.peaks (1.75, 1.38, 24.54 ppm; 3.57 A): 4 out of 21 assignments used, quality = 1.00: * HB2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.3-3.0 2.9=100 HB2 LYS 31 + HG3 LYS 31 OK 81 81 100 100 2.3-3.0 3.0=100 HB2 LYS 19 + HG2 LYS 19 OK 68 68 100 100 2.9-2.9 3.0=100 HB2 LYS 31 - HG3 LYS 26 far 10 99 10 - 4.0-11.8 HB2 ARG 23 - HG3 LYS 31 far 4 82 5 - 3.4-19.1 HB2 ARG 23 - HG2 LYS 24 far 0 98 0 - 4.9-6.7 HB2 LYS 26 - HG3 LYS 31 far 0 83 0 - 5.1-12.9 HB2 ARG 23 - HG2 LYS 19 far 0 67 0 - 5.8-10.2 HB2 LYS 19 - HG3 LYS 31 far 0 83 0 - 6.0-26.3 HB2 LYS 24 - HG2 LYS 19 far 0 67 0 - 6.4-14.3 HG3 ARG 90 - HG2 LYS 19 far 0 53 0 - 6.6-35.6 HB2 LYS 31 - HG2 LYS 24 far 0 97 0 - 6.6-18.9 HB2 LYS 19 - HG2 LYS 24 far 0 99 0 - 6.7-13.0 HB2 ARG 23 - HG3 LYS 26 far 0 100 0 - 6.8-11.8 HB2 LYS 24 - HG3 LYS 26 far 0 100 0 - 7.1-8.9 HB2 LYS 31 - HG2 LYS 19 far 0 65 0 - 7.6-22.5 HB2 LYS 24 - HG3 LYS 31 far 0 83 0 - 7.7-20.6 HB2 LYS 26 - HG2 LYS 24 far 0 99 0 - 9.2-11.0 HB2 LYS 19 - HG3 LYS 26 far 0 100 0 - 9.3-19.3 HB ILE 80 - HG2 LYS 19 far 0 60 0 - 9.7-35.2 Violated in 0 structures by 0.00 A. Peak 640 from cnoeabs.peaks (1.82, 1.38, 24.54 ppm; 3.51 A): 5 out of 30 assignments used, quality = 1.00: * HB3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 98 98 100 100 2.4-3.0 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 2.7-2.8 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.7-2.9 3.0=100 HB3 LYS 19 - HG3 LYS 31 far 0 81 0 - 4.5-24.5 HB3 ARG 23 - HG2 LYS 24 far 0 99 0 - 4.5-6.6 HB3 ARG 23 - HG3 LYS 31 far 0 82 0 - 5.0-20.1 HB3 LYS 26 - HG3 LYS 31 far 0 83 0 - 5.1-11.5 HB3 LYS 31 - HG3 LYS 26 far 0 99 0 - 5.2-13.1 HB3 ARG 23 - HG3 LYS 26 far 0 100 0 - 5.2-11.9 HB ILE 32 - HG3 LYS 26 far 0 100 0 - 5.4-7.7 HB3 LYS 19 - HG2 LYS 24 far 0 97 0 - 5.9-12.2 HB ILE 32 - HG3 LYS 31 far 0 83 0 - 6.3-8.2 HB3 LYS 31 - HG2 LYS 19 far 0 65 0 - 6.7-24.1 HB3 ARG 23 - HG2 LYS 19 far 0 67 0 - 7.0-10.5 HB2 LYS 36 - HG3 LYS 31 far 0 83 0 - 7.5-12.4 HB3 LYS 24 - HG3 LYS 26 far 0 100 0 - 7.5-8.6 HB ILE 32 - HG2 LYS 36 far 0 60 0 - 7.6-8.8 HB3 LYS 31 - HG2 LYS 24 far 0 97 0 - 7.8-20.3 HB3 LYS 19 - HG3 LYS 26 far 0 99 0 - 7.9-18.0 HB3 LYS 24 - HG2 LYS 19 far 0 67 0 - 8.1-14.8 HB2 LYS 36 - HG3 LYS 26 far 0 100 0 - 8.6-13.7 HB2 LYS 86 - HG2 LYS 19 far 0 42 0 - 8.6-36.4 HB2 CYS 79 - HG2 LYS 36 far 0 43 0 - 8.7-10.3 HB3 LYS 24 - HG3 LYS 31 far 0 82 0 - 8.9-20.1 HB2 CYS 79 - HG2 LYS 19 far 0 49 0 - 9.5-31.5 HB2 CYS 79 - HG3 LYS 26 far 0 83 0 - 9.7-15.8 HB2 CYS 79 - HG2 LYS 24 far 0 80 0 - 9.7-23.7 HB VAL 93 - HG2 LYS 19 far 0 64 0 - 9.8-38.5 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 26 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 QB ALA 34 - HG3 LYS 26 far 0 93 0 - 4.6-8.5 QB ALA 16 - HG2 LYS 19 far 0 35 0 - 4.7-7.9 HG2 LYS 26 - HG3 LYS 31 far 0 83 0 - 4.7-13.7 HG13 ILE 32 - HG3 LYS 26 far 0 99 0 - 4.7-7.3 HG3 LYS 19 - HG3 LYS 31 far 0 77 0 - 5.7-24.8 HG2 LYS 31 - HG3 LYS 26 far 0 98 0 - 5.9-14.2 QB ALA 16 - HG3 LYS 31 far 0 46 0 - 6.1-24.2 HG2 LYS 31 - HG2 LYS 19 far 0 64 0 - 6.2-23.2 QB ALA 34 - HG2 LYS 36 far 0 51 0 - 6.3-6.8 HG13 ILE 32 - HG3 LYS 31 far 0 81 0 - 6.4-7.6 HG2 LYS 31 - HG2 LYS 24 far 0 96 0 - 7.5-21.3 HG3 LYS 24 - HG2 LYS 19 far 0 60 0 - 7.6-13.9 HG3 LYS 24 - HG3 LYS 31 far 0 74 0 - 7.7-21.4 HG3 LYS 19 - HG2 LYS 24 far 0 94 0 - 8.0-13.2 QB ALA 34 - HG3 LYS 31 far 0 73 0 - 8.0-10.4 HG3 LYS 19 - HG3 LYS 26 far 0 97 0 - 8.4-18.3 QB ALA 34 - HG2 LYS 24 far 0 91 0 - 8.5-15.1 HG2 LYS 86 - HG2 LYS 19 far 0 61 0 - 8.9-35.3 QB ALA 34 - HG2 LYS 19 far 0 58 0 - 8.9-21.8 HG2 LYS 26 - HG2 LYS 24 far 0 99 0 - 9.0-11.7 HG3 LYS 24 - HG3 LYS 26 far 0 95 0 - 9.1-10.6 HG13 ILE 32 - HG2 LYS 36 far 0 58 0 - 9.9-10.8 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 37 assignments used, quality = 1.00: * HD2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.6-3.0 2.9=100 HD3 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.4-3.0 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 2.2-3.0 2.9=100 HD2 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HG2 LYS 19 OK 62 62 100 100 2.2-2.7 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 62 62 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 55 55 100 100 2.2-2.3 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 55 55 100 100 2.7-2.9 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 4 83 5 - 4.1-12.0 HD3 LYS 31 - HG2 LYS 19 far 3 68 5 - 3.6-23.8 HD2 LYS 31 - HG2 LYS 19 far 0 68 0 - 4.9-23.9 HD2 LYS 26 - HG3 LYS 31 far 0 83 0 - 5.4-12.2 HD2 LYS 36 - HG3 LYS 31 far 0 78 0 - 6.6-10.5 HD3 LYS 31 - HG3 LYS 26 far 0 100 0 - 6.8-14.4 HD2 LYS 31 - HG3 LYS 26 far 0 100 0 - 6.9-14.3 HD2 LYS 19 - HG3 LYS 31 far 0 77 0 - 7.5-27.4 HD3 LYS 24 - HG2 LYS 19 far 0 68 0 - 7.5-14.7 HD3 LYS 19 - HG3 LYS 31 far 0 77 0 - 7.7-26.9 HD2 LYS 86 - HG2 LYS 19 far 0 68 0 - 7.8-33.2 HD3 LYS 36 - HG3 LYS 31 far 0 78 0 - 7.9-11.7 HD3 LYS 86 - HG2 LYS 19 far 0 68 0 - 8.2-34.2 HD2 LYS 24 - HG2 LYS 19 far 0 68 0 - 8.4-14.5 HD2 LYS 19 - HG2 LYS 24 far 0 94 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 60 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 60 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 100 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 99 0 - 9.0-21.0 HD2 LYS 36 - HG3 LYS 26 far 0 97 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 99 0 - 9.3-12.6 HD2 LYS 24 - HG3 LYS 31 far 0 83 0 - 9.3-22.5 HD2 LYS 31 - HG2 LYS 24 far 0 99 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 94 0 - 9.5-14.5 HD3 LYS 24 - HG3 LYS 31 far 0 83 0 - 9.8-21.7 HD3 LYS 26 - HG2 LYS 19 far 0 68 0 - 9.8-19.7 HD2 LYS 24 - HG3 LYS 26 far 0 100 0 - 9.8-11.8 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 37 assignments used, quality = 1.00: * HD3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.6-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.4-3.0 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 2.2-3.0 2.9=100 HD2 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HG2 LYS 19 OK 64 64 100 100 2.2-2.7 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 64 64 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 53 53 100 100 2.2-2.3 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 53 53 100 100 2.7-2.9 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 4 83 5 - 4.1-12.0 HD3 LYS 31 - HG2 LYS 19 far 3 68 5 - 3.6-23.8 HD2 LYS 31 - HG2 LYS 19 far 0 67 0 - 4.9-23.9 HD2 LYS 26 - HG3 LYS 31 far 0 83 0 - 5.4-12.2 HD2 LYS 36 - HG3 LYS 31 far 0 76 0 - 6.6-10.5 HD3 LYS 31 - HG3 LYS 26 far 0 100 0 - 6.8-14.4 HD2 LYS 31 - HG3 LYS 26 far 0 100 0 - 6.9-14.3 HD2 LYS 19 - HG3 LYS 31 far 0 79 0 - 7.5-27.4 HD3 LYS 24 - HG2 LYS 19 far 0 68 0 - 7.5-14.7 HD3 LYS 19 - HG3 LYS 31 far 0 79 0 - 7.7-26.9 HD2 LYS 86 - HG2 LYS 19 far 0 68 0 - 7.8-33.2 HD3 LYS 36 - HG3 LYS 31 far 0 76 0 - 7.9-11.7 HD3 LYS 86 - HG2 LYS 19 far 0 68 0 - 8.2-34.2 HD2 LYS 24 - HG2 LYS 19 far 0 67 0 - 8.4-14.5 HD2 LYS 19 - HG2 LYS 24 far 0 96 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 60 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 60 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 100 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 99 0 - 9.0-21.0 HD2 LYS 36 - HG3 LYS 26 far 0 96 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 99 0 - 9.3-12.6 HD2 LYS 24 - HG3 LYS 31 far 0 83 0 - 9.3-22.5 HD2 LYS 31 - HG2 LYS 24 far 0 99 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 96 0 - 9.5-14.5 HD3 LYS 24 - HG3 LYS 31 far 0 83 0 - 9.8-21.7 HD3 LYS 26 - HG2 LYS 19 far 0 68 0 - 9.8-19.7 HD2 LYS 24 - HG3 LYS 26 far 0 100 0 - 9.8-11.8 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 41 assignments used, quality = 1.00: HE3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.0-3.4 3.6=100 * HE2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.3-3.8 3.6=100 HE3 LYS 24 + HG2 LYS 24 OK 98 98 100 100 2.0-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.1-4.1 4.0=100 HE3 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.0-4.0 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.1-4.2 3.7=100 HE3 LYS 19 + HG2 LYS 19 OK 67 67 100 100 2.1-4.1 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 64 64 100 100 2.8-3.7 3.8=100 HE3 LYS 36 + HG2 LYS 36 OK 58 58 100 100 3.1-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 55 55 100 100 3.1-4.1 4.0=100 HE3 LYS 31 - HG2 LYS 19 far 3 68 5 - 4.6-26.0 HE2 LYS 26 - HG3 LYS 31 far 0 83 0 - 6.1-13.8 HE2 LYS 31 - HG2 LYS 19 far 0 67 0 - 6.1-26.2 HE3 LYS 26 - HG3 LYS 31 far 0 83 0 - 6.1-14.7 HE3 LYS 36 - HG3 LYS 31 far 0 81 0 - 6.3-11.5 HE3 LYS 24 - HG2 LYS 19 far 0 66 0 - 6.5-14.6 HE2 LYS 36 - HG3 LYS 31 far 0 78 0 - 6.5-12.0 HE3 LYS 86 - HG2 LYS 19 far 0 65 0 - 6.8-34.9 HE2 LYS 26 - HG2 LYS 36 far 0 60 0 - 7.3-12.6 HE3 LYS 19 - HG3 LYS 31 far 0 83 0 - 7.7-28.1 HE2 LYS 24 - HG2 LYS 19 far 0 61 0 - 8.0-15.1 HE2 LYS 24 - HG3 LYS 31 far 0 76 0 - 8.1-23.8 HE2 LYS 31 - HG3 LYS 26 far 0 100 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 100 0 - 8.6-15.9 HE2 LYS 19 - HG3 LYS 31 far 0 79 0 - 8.6-26.5 HE3 LYS 26 - HG2 LYS 24 far 0 99 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 19 far 0 68 0 - 8.8-19.2 HE3 LYS 26 - HG2 LYS 36 far 0 60 0 - 8.9-13.8 HE2 LYS 26 - HG2 LYS 19 far 0 68 0 - 9.0-20.5 HE2 LYS 19 - HG3 LYS 26 far 0 98 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 99 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 35 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 60 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 99 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 96 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 100 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 99 0 - 9.8-15.3 HE3 LYS 24 - HG3 LYS 31 far 0 81 0 - 9.8-23.3 HE2 LYS 26 - HG2 LYS 24 far 0 99 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 96 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 99 0 - 10.0-22.2 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 41 assignments used, quality = 1.00: * HE3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.0-3.4 3.6=100 HE2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.3-3.8 3.6=100 HE3 LYS 24 + HG2 LYS 24 OK 98 98 100 100 2.0-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.1-4.1 4.0=100 HE3 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.0-4.0 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.1-4.2 3.7=100 HE3 LYS 19 + HG2 LYS 19 OK 67 67 100 100 2.1-4.1 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 64 64 100 100 2.8-3.7 3.8=100 HE3 LYS 36 + HG2 LYS 36 OK 58 58 100 100 3.1-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 55 55 100 100 3.1-4.1 4.0=100 HE3 LYS 31 - HG2 LYS 19 far 3 68 5 - 4.6-26.0 HE2 LYS 26 - HG3 LYS 31 far 0 83 0 - 6.1-13.8 HE2 LYS 31 - HG2 LYS 19 far 0 67 0 - 6.1-26.2 HE3 LYS 26 - HG3 LYS 31 far 0 83 0 - 6.1-14.7 HE3 LYS 36 - HG3 LYS 31 far 0 81 0 - 6.3-11.5 HE3 LYS 24 - HG2 LYS 19 far 0 66 0 - 6.5-14.6 HE2 LYS 36 - HG3 LYS 31 far 0 78 0 - 6.5-12.0 HE3 LYS 86 - HG2 LYS 19 far 0 65 0 - 6.8-34.9 HE2 LYS 26 - HG2 LYS 36 far 0 60 0 - 7.3-12.6 HE3 LYS 19 - HG3 LYS 31 far 0 83 0 - 7.7-28.1 HE2 LYS 24 - HG2 LYS 19 far 0 61 0 - 8.0-15.1 HE2 LYS 24 - HG3 LYS 31 far 0 76 0 - 8.1-23.8 HE2 LYS 31 - HG3 LYS 26 far 0 100 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 100 0 - 8.6-15.9 HE2 LYS 19 - HG3 LYS 31 far 0 79 0 - 8.6-26.5 HE3 LYS 26 - HG2 LYS 24 far 0 99 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 19 far 0 68 0 - 8.8-19.2 HE3 LYS 26 - HG2 LYS 36 far 0 60 0 - 8.9-13.8 HE2 LYS 26 - HG2 LYS 19 far 0 68 0 - 9.0-20.5 HE2 LYS 19 - HG3 LYS 26 far 0 98 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 99 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 35 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 60 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 99 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 96 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 100 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 99 0 - 9.8-15.3 HE3 LYS 24 - HG3 LYS 31 far 0 81 0 - 9.8-23.3 HE2 LYS 26 - HG2 LYS 24 far 0 99 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 96 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 99 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 647 from cnoeabs.peaks (8.39, 1.38, 24.54 ppm; 4.36 A): 3 out of 19 assignments used, quality = 1.00: * H GLN 27 + HG3 LYS 26 OK 100 100 100 100 2.4-4.6 6263/3.0=82, 6262/3.0=78...(14) H LYS 26 + HG3 LYS 26 OK 87 87 100 100 1.7-3.0 6253=80, 6252/1.8=75...(44) H LYS 24 + HG2 LYS 24 OK 82 82 100 100 1.9-3.3 3.0/513=78, 6222=77...(27) H MET 11 - HG2 LYS 19 far 2 41 5 - 4.1-26.3 H LYS 24 - HG3 LYS 31 far 0 64 0 - 5.2-19.3 H ASP 35 - HG3 LYS 26 far 0 100 0 - 5.6-9.7 H ASP 35 - HG2 LYS 36 far 0 60 0 - 6.2-6.5 H LYS 24 - HG2 LYS 19 far 0 51 0 - 6.3-11.2 H LYS 24 - HG3 LYS 26 far 0 85 0 - 7.3-8.8 H LYS 26 - HG3 LYS 31 far 0 66 0 - 7.3-14.7 H GLY 14 - HG2 LYS 19 far 0 46 0 - 7.4-15.8 H GLN 27 - HG3 LYS 31 far 0 83 0 - 7.5-10.6 H LYS 26 - HG2 LYS 24 far 0 84 0 - 8.1-8.5 H GLN 27 - HG2 LYS 24 far 0 99 0 - 8.3-11.2 H MET 11 - HG3 LYS 31 far 0 52 0 - 8.9-40.1 H ASP 35 - HG3 LYS 31 far 0 83 0 - 9.1-11.8 H SER 74 - HG2 LYS 19 far 0 51 0 - 9.3-34.0 H GLN 27 - HG2 LYS 19 far 0 68 0 - 9.3-18.3 H LYS 26 - HG2 LYS 19 far 0 53 0 - 9.7-16.7 Violated in 0 structures by 0.00 A. Peak 648 from cnoeabs.peaks (8.37, 1.66, 28.90 ppm; 6.80 A): 12 out of 36 assignments used, quality = 1.00: H LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.0-5.3 5.9=100 * H LYS 26 + HD2 LYS 26 OK 100 100 100 100 3.5-5.5 5.7=100 H LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.7-5.7 5.9=100 H LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.6-4.9 5.7=100 H GLN 27 + HD2 LYS 26 OK 87 87 100 100 1.9-5.0 6263/3.5=80, 6262/3.5=80...(28) H GLN 27 + HD3 LYS 26 OK 86 86 100 100 2.6-5.8 6263/3.5=80, 6262/3.5=80...(24) H ASP 35 + HD2 LYS 26 OK 74 90 90 91 3.6-7.6 ~10800=78...(6) H ASP 35 + HD2 LYS 36 OK 73 78 100 93 5.5-5.8 6387/6.1=75...(6) H ASP 35 + HD3 LYS 36 OK 72 78 100 92 6.5-6.9 6387/6.1=75...(5) H LYS 19 + HD2 LYS 19 OK 66 66 100 100 1.9-2.2 6.2=100 H LYS 19 + HD3 LYS 19 OK 66 66 100 100 2.8-3.5 6.2=100 H ASP 35 + HD3 LYS 26 OK 52 90 60 96 4.2-8.2 3.0/10800=93...(5) H LYS 26 - HD3 LYS 24 far 5 100 5 - 7.2-9.4 H LYS 26 - HD3 LYS 31 far 5 100 5 - 7.3-15.9 H LYS 19 - HD3 LYS 31 far 4 81 5 - 5.2-25.6 H LYS 19 - HD2 LYS 31 far 4 80 5 - 6.4-25.6 H LYS 26 - HD2 LYS 31 far 0 100 0 - 7.4-15.7 H LYS 24 - HD3 LYS 31 far 0 100 0 - 7.5-19.6 H LYS 24 - HD2 LYS 31 far 0 100 0 - 7.5-20.9 H LYS 24 - HD2 LYS 26 far 0 100 0 - 7.7-11.3 H LYS 24 - HD3 LYS 26 far 0 100 0 - 7.8-11.3 H LYS 26 - HD2 LYS 24 far 0 100 0 - 7.9-10.1 H LYS 24 - HD2 LYS 19 far 0 89 0 - 7.9-13.4 H GLY 14 - HD2 LYS 19 far 0 89 0 - 8.0-14.9 H GLY 14 - HD3 LYS 19 far 0 89 0 - 8.0-16.4 H GLN 27 - HD2 LYS 31 far 0 87 0 - 8.0-12.6 H LYS 19 - HD3 LYS 24 far 0 81 0 - 8.5-14.5 H LYS 24 - HD3 LYS 19 far 0 89 0 - 8.5-13.4 H GLN 27 - HD3 LYS 31 far 0 87 0 - 8.5-11.7 H GLN 27 - HD3 LYS 24 far 0 87 0 - 9.1-12.2 H LYS 19 - HD2 LYS 24 far 0 80 0 - 9.1-14.2 H ASP 35 - HD3 LYS 31 far 0 90 0 - 9.3-12.3 H LYS 86 - HD3 LYS 19 far 0 46 0 - 9.4-41.0 H ASP 35 - HD2 LYS 31 far 0 90 0 - 9.6-12.3 H GLN 27 - HD2 LYS 24 far 0 87 0 - 9.9-13.0 H LYS 26 - HD2 LYS 36 far 0 92 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 649 from cnoeabs.peaks (4.27, 1.66, 28.90 ppm; 4.34 A): 10 out of 84 assignments used, quality = 1.00: HA LYS 31 + HD3 LYS 31 OK 98 99 100 99 1.9-4.8 5.2=58, 822/2.9=30...(32) HA LYS 31 + HD2 LYS 31 OK 98 99 100 99 2.0-4.7 5.2=58, 822/2.9=30...(32) HA LYS 36 + HD2 LYS 36 OK 90 90 100 100 4.6-4.6 5.3=56, ~6394=33...(29) HA LYS 19 + HD2 LYS 19 OK 89 89 100 99 3.5-4.4 5.2=59, ~6151=34...(42) HA LYS 26 + HD3 LYS 26 OK 79 100 80 99 2.0-5.3 5.0=66, ~6253=36...(34) * HA LYS 26 + HD2 LYS 26 OK 70 100 70 99 2.0-5.1 5.0=66, ~6253=36...(34) HA LYS 19 + HD3 LYS 19 OK 58 89 65 99 3.8-5.0 5.2=59, ~6151=34...(41) HA LEU 22 + HD2 LYS 24 OK 28 100 50 56 3.2-9.0 ~1309=12, 401/10812=10...(11) HA GLN 27 + HD3 LYS 26 OK 24 70 40 86 3.1-7.9 3.0/6266=23, ~6264=19...(19) HA LEU 22 + HD3 LYS 24 OK 22 100 40 54 3.7-8.5 ~1309=12, 11967/3.0=10...(11) HA GLN 27 - HD2 LYS 26 poor 14 71 20 - 3.5-7.5 HA ALA 16 - HD2 LYS 19 far 13 87 15 - 4.1-8.2 HA ALA 16 - HD3 LYS 19 far 13 87 15 - 4.7-9.2 HA LYS 31 - HD3 LYS 26 far 10 98 10 - 4.0-10.4 HA LYS 19 - HD3 LYS 31 far 5 100 5 - 4.2-24.3 HA LYS 36 - HD3 LYS 36 far 5 90 5 - 4.9-5.2 HA ARG 23 - HD3 LYS 24 far 4 89 5 - 4.0-7.6 HA THR 25 - HD2 LYS 26 far 4 78 5 - 4.9-6.7 HA SER 74 - HD3 LYS 19 far 3 64 5 - 4.6-35.1 HA THR 18 - HD2 LYS 19 far 0 62 0 - 5.0-5.5 HA ALA 21 - HD3 LYS 24 far 0 81 0 - 5.0-11.3 HA ARG 23 - HD2 LYS 24 far 0 89 0 - 5.0-7.8 HA LYS 19 - HD2 LYS 31 far 0 100 0 - 5.1-24.1 HA LYS 31 - HD2 LYS 26 far 0 99 0 - 5.1-10.1 HA THR 25 - HD3 LYS 26 far 0 78 0 - 5.2-6.8 HA ALA 21 - HD2 LYS 24 far 0 80 0 - 5.2-10.9 HA ARG 23 - HD3 LYS 31 far 0 89 0 - 5.4-17.9 HA ARG 23 - HD2 LYS 31 far 0 89 0 - 5.5-19.1 HA THR 18 - HD3 LYS 19 far 0 62 0 - 5.6-7.0 HA ALA 15 - HD2 LYS 19 far 0 76 0 - 5.7-11.6 HA THR 25 - HD3 LYS 24 far 0 78 0 - 5.8-7.0 HA LYS 36 - HD2 LYS 26 far 0 99 0 - 5.9-11.4 HA LYS 36 - HD3 LYS 26 far 0 99 0 - 6.0-12.7 HA ALA 15 - HD3 LYS 19 far 0 76 0 - 6.2-11.9 HA SER 74 - HD2 LYS 19 far 0 64 0 - 6.2-35.4 HA ARG 23 - HD3 LYS 26 far 0 88 0 - 6.4-12.1 HA THR 25 - HD2 LYS 24 far 0 78 0 - 6.5-8.0 HA LYS 26 - HD2 LYS 31 far 0 100 0 - 6.5-14.6 HA ALA 12 - HD3 LYS 19 far 0 76 0 - 6.5-20.5 HA LYS 19 - HD2 LYS 24 far 0 100 0 - 6.5-12.9 HA ALA 21 - HD3 LYS 31 far 0 81 0 - 6.6-23.8 HA LYS 19 - HD3 LYS 24 far 0 100 0 - 6.6-13.2 HA LYS 26 - HD3 LYS 24 far 0 100 0 - 6.8-10.5 HA ALA 16 - HD3 LYS 31 far 0 99 0 - 7.0-28.5 HA THR 18 - HD3 LYS 31 far 0 76 0 - 7.1-26.4 HA ALA 16 - HD2 LYS 31 far 0 99 0 - 7.3-28.5 HA LYS 31 - HD2 LYS 36 far 0 89 0 - 7.5-8.1 HA ALA 12 - HD2 LYS 19 far 0 76 0 - 7.6-20.3 HA SER 74 - HD3 LYS 24 far 0 78 0 - 7.6-23.3 HA ALA 21 - HD3 LYS 19 far 0 66 0 - 7.7-9.8 HA ALA 12 - HD2 LYS 31 far 0 90 0 - 7.7-38.2 HA LEU 22 - HD3 LYS 31 far 0 100 0 - 7.8-22.1 HA LYS 26 - HD3 LYS 31 far 0 100 0 - 7.8-13.5 HA LYS 26 - HD2 LYS 24 far 0 100 0 - 7.8-10.9 HA ALA 21 - HD2 LYS 19 far 0 66 0 - 7.8-8.6 HA ARG 23 - HD2 LYS 26 far 0 89 0 - 7.9-11.1 HA ALA 21 - HD2 LYS 31 far 0 80 0 - 8.2-24.8 HA LYS 31 - HD3 LYS 19 far 0 86 0 - 8.3-27.0 HA LEU 22 - HD2 LYS 26 far 0 100 0 - 8.4-15.7 HA SER 74 - HD2 LYS 24 far 0 78 0 - 8.4-24.9 HA ARG 23 - HD3 LYS 19 far 0 74 0 - 8.4-12.6 HA ALA 12 - HD3 LYS 31 far 0 90 0 - 8.4-38.1 HA LEU 22 - HD3 LYS 26 far 0 100 0 - 8.5-15.5 HA LEU 22 - HD2 LYS 19 far 0 89 0 - 8.6-11.0 HA LEU 22 - HD2 LYS 31 far 0 100 0 - 8.6-22.9 HA ARG 23 - HD2 LYS 19 far 0 74 0 - 8.7-12.2 HA THR 18 - HD2 LYS 24 far 0 76 0 - 8.7-12.7 HA THR 18 - HD2 LYS 31 far 0 76 0 - 8.7-26.2 HA THR 25 - HD3 LYS 31 far 0 78 0 - 8.7-17.7 HA LYS 31 - HD2 LYS 19 far 0 86 0 - 8.9-27.5 HA LYS 31 - HD3 LYS 36 far 0 89 0 - 9.1-9.5 HA THR 18 - HD3 LYS 24 far 0 76 0 - 9.1-13.3 HA THR 25 - HD2 LYS 31 far 0 78 0 - 9.2-17.6 HA ALA 15 - HD3 LYS 31 far 0 90 0 - 9.4-29.3 HA GLN 27 - HD3 LYS 31 far 0 71 0 - 9.4-13.4 HA GLN 27 - HD2 LYS 31 far 0 71 0 - 9.5-14.5 HA LEU 22 - HD3 LYS 19 far 0 89 0 - 9.5-12.1 HA ARG 23 - HD2 LYS 36 far 0 77 0 - 9.5-19.6 HA GLN 27 - HD3 LYS 24 far 0 71 0 - 9.6-12.5 HA THR 25 - HD2 LYS 19 far 0 64 0 - 9.6-17.8 HA LYS 19 - HD3 LYS 26 far 0 100 0 - 9.7-20.2 HA PHE 87 - HD3 LYS 19 far 0 89 0 - 9.9-41.0 HA PHE 87 - HD2 LYS 19 far 0 89 0 - 10.0-40.9 HA LYS 26 - HD3 LYS 19 far 0 90 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 650 from cnoeabs.peaks (1.75, 1.66, 28.90 ppm; 4.35 A): 8 out of 44 assignments used, quality = 1.00: * HB2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.1-4.0 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-3.9 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.6-3.7 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.6-4.2 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 2.1-4.2 3.5=100 HB2 LYS 19 + HD3 LYS 19 OK 90 90 100 100 2.0-3.5 3.9=100 HB2 LYS 19 + HD2 LYS 19 OK 90 90 100 100 2.2-3.2 3.9=100 HB2 LYS 31 - HD2 LYS 26 poor 20 99 20 - 3.7-10.0 HB2 LYS 31 - HD3 LYS 26 far 15 99 15 - 2.1-9.6 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.6-25.0 HB2 ARG 23 - HD3 LYS 31 far 5 100 5 - 4.8-19.6 HB2 LYS 19 - HD2 LYS 31 far 0 100 0 - 5.2-25.0 HB2 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.4-13.3 HG3 ARG 90 - HD3 LYS 19 far 0 72 0 - 5.6-37.6 HB2 ARG 23 - HD3 LYS 24 far 0 100 0 - 5.6-9.0 HB2 ARG 23 - HD2 LYS 31 far 0 100 0 - 5.7-20.8 HB2 ARG 23 - HD2 LYS 24 far 0 100 0 - 6.0-9.1 HB2 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.1-13.8 HG3 ARG 90 - HD2 LYS 19 far 0 72 0 - 6.5-37.7 HB2 ARG 23 - HD3 LYS 19 far 0 88 0 - 7.3-12.6 HB2 LYS 24 - HD2 LYS 19 far 0 89 0 - 7.3-16.3 HB2 ARG 23 - HD2 LYS 19 far 0 88 0 - 7.5-11.9 HB2 ARG 23 - HD3 LYS 26 far 0 99 0 - 7.5-14.0 HB ILE 80 - HD3 LYS 19 far 0 81 0 - 7.8-37.4 HB2 ARG 23 - HD2 LYS 26 far 0 100 0 - 7.8-13.1 HB2 LYS 19 - HD3 LYS 24 far 0 100 0 - 7.9-15.5 HB2 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.9-11.0 HB2 LYS 31 - HD3 LYS 19 far 0 87 0 - 8.2-24.6 HB2 LYS 19 - HD2 LYS 24 far 0 100 0 - 8.2-15.2 HB2 LYS 24 - HD3 LYS 19 far 0 89 0 - 8.2-16.3 HB2 LYS 31 - HD2 LYS 36 far 0 89 0 - 8.4-9.8 HB2 LYS 26 - HD3 LYS 24 far 0 100 0 - 8.4-11.9 HB2 LYS 24 - HD2 LYS 26 far 0 100 0 - 8.6-11.1 HB2 LYS 31 - HD2 LYS 24 far 0 99 0 - 8.8-21.3 HB ILE 80 - HD2 LYS 19 far 0 81 0 - 9.2-37.4 HB2 LYS 31 - HD2 LYS 19 far 0 87 0 - 9.2-25.0 HB2 LYS 31 - HD3 LYS 24 far 0 99 0 - 9.4-20.4 HB2 ARG 23 - HD2 LYS 36 far 0 91 0 - 9.5-21.1 HB2 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.6-12.5 HB2 LYS 31 - HD3 LYS 36 far 0 89 0 - 9.7-11.4 HG3 ARG 90 - HD3 LYS 24 far 0 87 0 - 9.8-25.6 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 9.9-20.2 HB2 LYS 24 - HD2 LYS 31 far 0 100 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 651 from cnoeabs.peaks (1.82, 1.66, 28.90 ppm; 4.17 A): 12 out of 60 assignments used, quality = 1.00: * HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.0-3.2 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.0-3.3 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.1-3.7 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.1-4.1 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.0-3.8 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.0-3.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 92 92 100 100 3.0-4.0 3.5=100 HB3 LYS 19 + HD3 LYS 19 OK 87 87 100 100 3.3-4.2 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 3.5-4.1 3.9=100 HB ILE 32 + HD2 LYS 26 OK 65 100 65 100 4.2-5.1 3.0/10763=36, ~10767=36...(49) HB ILE 32 + HD3 LYS 26 OK 35 100 35 100 3.4-6.5 10833/1.8=38, ~10766=31...(54) HB3 LYS 31 - HD3 LYS 26 far 10 99 10 - 3.5-10.7 HB3 ARG 23 - HD3 LYS 24 far 5 100 5 - 4.2-8.9 HB3 LYS 19 - HD3 LYS 31 far 5 99 5 - 3.0-23.2 HB3 LYS 19 - HD2 LYS 31 far 5 99 5 - 3.4-23.3 HB3 LYS 31 - HD2 LYS 26 far 5 99 5 - 4.7-11.2 HB3 ARG 23 - HD2 LYS 24 far 0 100 0 - 5.3-8.9 HB ILE 32 - HD2 LYS 36 far 0 92 0 - 5.9-6.8 HB3 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.9-12.3 HB2 LYS 36 - HD3 LYS 26 far 0 100 0 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 26 far 0 100 0 - 6.3-14.3 HB2 LYS 36 - HD2 LYS 26 far 0 100 0 - 6.3-11.2 HB3 LYS 19 - HD3 LYS 24 far 0 99 0 - 6.4-14.8 HB ILE 32 - HD3 LYS 31 far 0 100 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 100 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 100 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 100 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 99 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.8-12.2 HB3 ARG 23 - HD2 LYS 31 far 0 100 0 - 7.3-22.1 HB ILE 32 - HD3 LYS 36 far 0 92 0 - 7.6-8.5 HB3 LYS 31 - HD3 LYS 19 far 0 87 0 - 8.1-26.2 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.1-12.5 HB2 CYS 79 - HD3 LYS 19 far 0 68 0 - 8.3-33.8 HB2 LYS 36 - HD2 LYS 31 far 0 100 0 - 8.3-12.3 HB2 LYS 86 - HD3 LYS 19 far 0 60 0 - 8.4-38.5 HB3 LYS 31 - HD2 LYS 19 far 0 87 0 - 8.4-26.6 HB VAL 93 - HD3 LYS 19 far 0 85 0 - 8.4-40.5 HB3 ARG 23 - HD3 LYS 19 far 0 89 0 - 8.5-12.9 HB2 CYS 79 - HD2 LYS 24 far 0 83 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 83 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 99 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 19 far 0 88 0 - 8.8-16.9 HB3 LYS 24 - HD2 LYS 26 far 0 100 0 - 8.8-11.0 HB3 ARG 23 - HD2 LYS 19 far 0 89 0 - 8.9-12.7 HB VAL 93 - HD2 LYS 19 far 0 85 0 - 9.3-40.8 HB3 LYS 31 - HD2 LYS 36 far 0 89 0 - 9.3-10.5 HB2 LYS 86 - HD2 LYS 19 far 0 60 0 - 9.3-38.4 HB3 LYS 26 - HD3 LYS 24 far 0 100 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 99 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 99 0 - 9.5-19.2 HB3 LYS 26 - HD2 LYS 36 far 0 92 0 - 9.7-12.7 HB2 CYS 79 - HD3 LYS 36 far 0 71 0 - 9.8-11.3 HB2 CYS 79 - HD2 LYS 36 far 0 71 0 - 9.8-11.7 HB3 LYS 24 - HD3 LYS 19 far 0 88 0 - 9.8-17.0 HB3 ARG 23 - HD2 LYS 36 far 0 91 0 - 9.9-20.6 HB2 CYS 79 - HD3 LYS 24 far 0 83 0 - 9.9-24.7 HB2 CYS 79 - HD2 LYS 19 far 0 68 0 - 9.9-33.8 HB3 LYS 31 - HD2 LYS 24 far 0 99 0 - 10.0-22.7 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 53 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 2.2-3.0 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 98 98 100 100 2.4-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.3-3.0 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 2.3-2.8 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 83 83 100 100 2.9-3.0 3.0=100 HG13 ILE 32 + HD2 LYS 26 OK 62 99 65 96 2.3-5.4 ~10767=27, 892/10763=20...(40) HG13 ILE 32 - HD3 LYS 26 poor 20 99 20 - 3.4-5.5 QB ALA 16 - HD2 LYS 19 far 5 50 10 - 3.5-7.5 HG3 LYS 19 - HD3 LYS 31 far 5 97 5 - 3.5-23.9 HG2 LYS 31 - HD3 LYS 26 far 0 98 0 - 4.0-11.7 QB ALA 16 - HD3 LYS 31 far 0 63 0 - 4.2-24.3 QB ALA 34 - HD2 LYS 26 far 0 93 0 - 4.2-7.0 QB ALA 16 - HD3 LYS 19 far 0 50 0 - 4.2-7.8 HG3 LYS 19 - HD2 LYS 31 far 0 96 0 - 4.2-23.7 QB ALA 34 - HD3 LYS 26 far 0 93 0 - 4.4-7.4 QB ALA 16 - HD2 LYS 31 far 0 63 0 - 4.6-24.2 HG2 LYS 26 - HD3 LYS 31 far 0 100 0 - 5.1-14.0 HG2 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.2-13.9 HG2 LYS 31 - HD2 LYS 26 far 0 98 0 - 5.7-12.1 QB ALA 34 - HD2 LYS 36 far 0 82 0 - 5.8-6.1 HG13 ILE 32 - HD2 LYS 31 far 0 99 0 - 6.0-8.4 HG13 ILE 32 - HD3 LYS 31 far 0 99 0 - 6.2-9.0 QB ALA 34 - HD3 LYS 36 far 0 82 0 - 6.3-6.6 HG3 LYS 19 - HD3 LYS 24 far 0 97 0 - 7.6-15.9 QB ALA 34 - HD3 LYS 19 far 0 79 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 93 0 - 7.9-10.9 HG2 LYS 86 - HD3 LYS 19 far 0 82 0 - 8.0-37.5 HG3 LYS 24 - HD2 LYS 19 far 0 81 0 - 8.0-16.0 HG2 LYS 31 - HD2 LYS 36 far 0 88 0 - 8.0-10.5 QB ALA 34 - HD2 LYS 31 far 0 93 0 - 8.0-10.8 HG13 ILE 32 - HD2 LYS 36 far 0 90 0 - 8.1-8.6 HG2 LYS 26 - HD3 LYS 24 far 0 100 0 - 8.3-12.6 HG3 LYS 19 - HD2 LYS 24 far 0 96 0 - 8.4-15.6 HG2 LYS 31 - HD3 LYS 19 far 0 85 0 - 8.5-25.2 HG2 LYS 31 - HD2 LYS 19 far 0 85 0 - 8.5-25.7 QB ALA 34 - HD2 LYS 24 far 0 93 0 - 8.8-16.8 QB ALA 16 - HD2 LYS 24 far 0 63 0 - 9.0-17.1 HG3 LYS 19 - HD3 LYS 26 far 0 96 0 - 9.0-20.4 QB ALA 34 - HD2 LYS 19 far 0 79 0 - 9.1-23.8 HG2 LYS 31 - HD3 LYS 36 far 0 88 0 - 9.2-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 92 0 - 9.2-12.8 HG3 LYS 24 - HD3 LYS 19 far 0 81 0 - 9.2-16.2 QB ALA 34 - HD3 LYS 24 far 0 93 0 - 9.2-15.8 HG2 LYS 86 - HD2 LYS 19 far 0 82 0 - 9.3-37.4 HG2 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.4-13.2 HG3 LYS 19 - HD2 LYS 26 far 0 97 0 - 9.5-19.8 HG3 LYS 24 - HD3 LYS 31 far 0 95 0 - 9.8-22.2 HG13 ILE 32 - HD3 LYS 36 far 0 90 0 - 9.8-10.3 QB ALA 16 - HD3 LYS 24 far 0 63 0 - 9.9-17.6 HG2 LYS 31 - HD2 LYS 24 far 0 98 0 - 10.0-23.6 Violated in 0 structures by 0.00 A. Peak 653 from cnoeabs.peaks (1.38, 1.66, 28.90 ppm; 4.25 A): 10 out of 68 assignments used, quality = 1.00: * HG3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.4-3.0 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 2.6-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.2-3.0 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 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.7-2.9 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 74 74 100 100 2.2-2.7 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 74 74 100 100 2.3-3.0 3.0=100 QB ALA 16 - HD2 LYS 19 poor 19 62 30 - 3.5-7.5 QB ALA 29 - HD2 LYS 26 poor 14 100 25 54 2.5-6.4 10790/10833=21...(14) QB ALA 29 - HD3 LYS 26 poor 13 100 30 43 2.3-7.8 10739/10829=13...(14) QB ALA 16 - HD3 LYS 19 poor 12 62 20 - 4.2-7.8 HG3 LYS 31 - HD3 LYS 26 far 10 98 10 - 4.1-12.0 QB ALA 28 - HD3 LYS 26 far 5 100 5 - 4.7-8.5 QB ALA 15 - HD3 LYS 19 far 4 89 5 - 3.7-10.4 QB ALA 15 - HD2 LYS 19 far 4 89 5 - 3.8-10.9 HG2 LYS 19 - HD3 LYS 31 far 4 89 5 - 3.6-23.8 QB ALA 12 - HD2 LYS 31 far 4 78 5 - 4.5-32.1 QB ALA 16 - HD3 LYS 31 far 4 76 5 - 4.2-24.3 QB ALA 16 - HD2 LYS 31 far 4 76 5 - 4.6-24.2 HG2 LYS 19 - HD2 LYS 31 far 0 89 0 - 4.9-23.9 QB ALA 28 - HD2 LYS 26 far 0 100 0 - 4.9-7.9 QB ALA 12 - HD3 LYS 31 far 0 78 0 - 5.2-32.1 HG3 LYS 31 - HD2 LYS 26 far 0 98 0 - 5.4-12.2 QB ALA 29 - HD2 LYS 36 far 0 92 0 - 6.1-9.0 HG3 LYS 31 - HD2 LYS 36 far 0 88 0 - 6.6-10.5 HG3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.9-14.3 QB ALA 12 - HD3 LYS 19 far 0 64 0 - 7.4-17.7 QB ALA 29 - HD3 LYS 36 far 0 92 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 100 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 100 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 85 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 89 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 85 0 - 7.7-26.9 QB ALA 28 - HD3 LYS 31 far 0 100 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 100 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 88 0 - 7.9-11.7 QB ALA 28 - HD2 LYS 24 far 0 100 0 - 8.1-15.1 QB ALA 28 - HD2 LYS 31 far 0 100 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 64 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 89 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 89 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 66 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 100 0 - 8.6-22.7 QB ALA 16 - HD2 LYS 24 far 0 76 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 100 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 100 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 91 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 92 0 - 9.1-12.8 QB ALA 12 - HD3 LYS 36 far 0 66 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 100 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 100 0 - 9.2-24.7 HG2 LYS 24 - HD3 LYS 26 far 0 100 0 - 9.3-12.6 HG3 LYS 31 - HD2 LYS 24 far 0 98 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 100 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 89 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 100 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 100 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 98 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 88 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 100 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 76 0 - 9.9-17.6 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 64 assignments used, quality = 1.00: * HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-2.9 3.0=100 HE3 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 2.3-3.0 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 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 90 90 100 100 2.5-3.0 3.0=100 HE3 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 2.2-3.0 2.9=100 HE2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 87 87 100 100 2.4-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 85 85 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 98 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 98 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 92 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 90 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 91 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 90 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 89 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 97 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 92 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 97 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 92 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.7-13.6 HE2 LYS 31 - HD3 LYS 36 far 0 91 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 89 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 92 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 86 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 88 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 92 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 86 0 - 8.6-36.9 HE3 LYS 24 - HD3 LYS 19 far 0 88 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 92 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 60 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 97 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 82 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 100 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 97 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 90 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 90 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 82 0 - 9.9-17.4 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 64 assignments used, quality = 1.00: HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-2.9 3.0=100 * HE3 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 2.3-3.0 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 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 90 90 100 100 2.5-3.0 3.0=100 HE3 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 2.2-3.0 2.9=100 HE2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 87 87 100 100 2.4-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 85 85 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 98 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 98 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 92 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 90 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 91 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 90 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 89 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 97 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 92 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 97 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 92 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.7-13.6 HE2 LYS 31 - HD3 LYS 36 far 0 91 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 89 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 92 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 86 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 88 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 92 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 86 0 - 8.6-36.9 HE3 LYS 24 - HD3 LYS 19 far 0 88 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 92 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 60 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 97 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 82 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 100 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 97 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 90 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 90 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 82 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 659 from cnoeabs.peaks (8.37, 1.66, 28.90 ppm; 6.80 A): 12 out of 36 assignments used, quality = 1.00: * H LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.6-4.9 5.7=100 H LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.0-5.3 5.9=100 H LYS 26 + HD2 LYS 26 OK 100 100 100 100 3.5-5.5 5.7=100 H LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.7-5.7 5.9=100 H GLN 27 + HD3 LYS 26 OK 87 87 100 100 2.6-5.8 6263/3.5=80, 6262/3.5=80...(24) H GLN 27 + HD2 LYS 26 OK 86 86 100 100 1.9-5.0 6263/3.5=80, 6262/3.5=80...(28) H ASP 35 + HD2 LYS 26 OK 73 90 90 90 3.6-7.6 ~10800=78...(6) H LYS 19 + HD2 LYS 19 OK 71 71 100 100 1.9-2.2 6.2=100 H LYS 19 + HD3 LYS 19 OK 71 71 100 100 2.8-3.5 6.2=100 H ASP 35 + HD2 LYS 36 OK 68 73 100 93 5.5-5.8 6387/6.1=75...(6) H ASP 35 + HD3 LYS 36 OK 67 73 100 92 6.5-6.9 6387/6.1=75...(5) H ASP 35 + HD3 LYS 26 OK 52 90 60 96 4.2-8.2 3.0/10800=94...(5) H LYS 26 - HD3 LYS 24 far 5 100 5 - 7.2-9.4 H LYS 26 - HD3 LYS 31 far 5 100 5 - 7.3-15.9 H LYS 19 - HD3 LYS 31 far 4 80 5 - 5.2-25.6 H LYS 19 - HD2 LYS 31 far 4 80 5 - 6.4-25.6 H LYS 26 - HD2 LYS 31 far 0 100 0 - 7.4-15.7 H LYS 24 - HD3 LYS 31 far 0 100 0 - 7.5-19.6 H LYS 24 - HD2 LYS 31 far 0 100 0 - 7.5-20.9 H LYS 24 - HD2 LYS 26 far 0 100 0 - 7.7-11.3 H LYS 24 - HD3 LYS 26 far 0 100 0 - 7.8-11.3 H LYS 26 - HD2 LYS 24 far 0 100 0 - 7.9-10.1 H LYS 24 - HD2 LYS 19 far 0 94 0 - 7.9-13.4 H GLY 14 - HD2 LYS 19 far 0 93 0 - 8.0-14.9 H GLY 14 - HD3 LYS 19 far 0 93 0 - 8.0-16.4 H GLN 27 - HD2 LYS 31 far 0 86 0 - 8.0-12.6 H LYS 19 - HD3 LYS 24 far 0 80 0 - 8.5-14.5 H LYS 24 - HD3 LYS 19 far 0 94 0 - 8.5-13.4 H GLN 27 - HD3 LYS 31 far 0 86 0 - 8.5-11.7 H GLN 27 - HD3 LYS 24 far 0 86 0 - 9.1-12.2 H LYS 19 - HD2 LYS 24 far 0 80 0 - 9.1-14.2 H ASP 35 - HD3 LYS 31 far 0 90 0 - 9.3-12.3 H LYS 86 - HD3 LYS 19 far 0 49 0 - 9.4-41.0 H ASP 35 - HD2 LYS 31 far 0 89 0 - 9.6-12.3 H GLN 27 - HD2 LYS 24 far 0 86 0 - 9.9-13.0 H LYS 26 - HD2 LYS 36 far 0 87 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 660 from cnoeabs.peaks (4.27, 1.66, 28.90 ppm; 4.33 A): 10 out of 84 assignments used, quality = 1.00: HA LYS 31 + HD3 LYS 31 OK 98 98 100 99 1.9-4.8 5.2=57, 822/2.9=30...(32) HA LYS 31 + HD2 LYS 31 OK 97 98 100 99 2.0-4.7 5.2=57, 822/2.9=30...(32) HA LYS 19 + HD2 LYS 19 OK 93 94 100 99 3.5-4.4 5.2=59, ~6151=34...(42) HA LYS 36 + HD2 LYS 36 OK 85 85 100 100 4.6-4.6 5.3=56, ~6394=33...(29) * HA LYS 26 + HD3 LYS 26 OK 80 100 80 99 2.0-5.3 5.0=66, ~6253=36...(34) HA LYS 26 + HD2 LYS 26 OK 70 100 70 99 2.0-5.1 5.0=66, ~6253=36...(34) HA LYS 19 + HD3 LYS 19 OK 60 94 65 99 3.8-5.0 5.2=59, ~6151=34...(41) HA LEU 22 + HD2 LYS 24 OK 28 100 50 56 3.2-9.0 ~1309=12, 401/10812=10...(11) HA GLN 27 + HD3 LYS 26 OK 24 71 40 86 3.1-7.9 3.0/6267=23, ~6264=19...(19) HA LEU 22 + HD3 LYS 24 OK 22 100 40 54 3.7-8.5 ~1309=12, 11967/3.0=9...(11) HA GLN 27 - HD2 LYS 26 poor 14 70 20 - 3.5-7.5 HA ALA 16 - HD2 LYS 19 far 14 92 15 - 4.1-8.2 HA ALA 16 - HD3 LYS 19 far 14 92 15 - 4.7-9.2 HA LYS 31 - HD3 LYS 26 far 10 99 10 - 4.0-10.4 HA LYS 19 - HD3 LYS 31 far 5 100 5 - 4.2-24.3 HA ARG 23 - HD3 LYS 24 far 4 88 5 - 4.0-7.6 HA LYS 36 - HD3 LYS 36 far 4 85 5 - 4.9-5.2 HA THR 25 - HD2 LYS 26 far 4 78 5 - 4.9-6.7 HA SER 74 - HD3 LYS 19 far 3 69 5 - 4.6-35.1 HA THR 18 - HD2 LYS 19 far 0 66 0 - 5.0-5.5 HA ALA 21 - HD3 LYS 24 far 0 80 0 - 5.0-11.3 HA ARG 23 - HD2 LYS 24 far 0 88 0 - 5.0-7.8 HA LYS 19 - HD2 LYS 31 far 0 100 0 - 5.1-24.1 HA LYS 31 - HD2 LYS 26 far 0 98 0 - 5.1-10.1 HA THR 25 - HD3 LYS 26 far 0 78 0 - 5.2-6.8 HA ALA 21 - HD2 LYS 24 far 0 80 0 - 5.2-10.9 HA ARG 23 - HD3 LYS 31 far 0 88 0 - 5.4-17.9 HA ARG 23 - HD2 LYS 31 far 0 88 0 - 5.5-19.1 HA THR 18 - HD3 LYS 19 far 0 66 0 - 5.6-7.0 HA ALA 15 - HD2 LYS 19 far 0 81 0 - 5.7-11.6 HA THR 25 - HD3 LYS 24 far 0 78 0 - 5.8-7.0 HA LYS 36 - HD2 LYS 26 far 0 99 0 - 5.9-11.4 HA LYS 36 - HD3 LYS 26 far 0 99 0 - 6.0-12.7 HA ALA 15 - HD3 LYS 19 far 0 81 0 - 6.2-11.9 HA SER 74 - HD2 LYS 19 far 0 69 0 - 6.2-35.4 HA ARG 23 - HD3 LYS 26 far 0 89 0 - 6.4-12.1 HA THR 25 - HD2 LYS 24 far 0 77 0 - 6.5-8.0 HA LYS 26 - HD2 LYS 31 far 0 100 0 - 6.5-14.6 HA ALA 12 - HD3 LYS 19 far 0 81 0 - 6.5-20.5 HA LYS 19 - HD2 LYS 24 far 0 100 0 - 6.5-12.9 HA ALA 21 - HD3 LYS 31 far 0 80 0 - 6.6-23.8 HA LYS 19 - HD3 LYS 24 far 0 100 0 - 6.6-13.2 HA LYS 26 - HD3 LYS 24 far 0 100 0 - 6.8-10.5 HA ALA 16 - HD3 LYS 31 far 0 99 0 - 7.0-28.5 HA THR 18 - HD3 LYS 31 far 0 75 0 - 7.1-26.4 HA ALA 16 - HD2 LYS 31 far 0 98 0 - 7.3-28.5 HA LYS 31 - HD2 LYS 36 far 0 83 0 - 7.5-8.1 HA ALA 12 - HD2 LYS 19 far 0 81 0 - 7.6-20.3 HA SER 74 - HD3 LYS 24 far 0 78 0 - 7.6-23.3 HA ALA 21 - HD3 LYS 19 far 0 71 0 - 7.7-9.8 HA ALA 12 - HD2 LYS 31 far 0 89 0 - 7.7-38.2 HA LEU 22 - HD3 LYS 31 far 0 100 0 - 7.8-22.1 HA LYS 26 - HD3 LYS 31 far 0 100 0 - 7.8-13.5 HA LYS 26 - HD2 LYS 24 far 0 100 0 - 7.8-10.9 HA ALA 21 - HD2 LYS 19 far 0 71 0 - 7.8-8.6 HA ARG 23 - HD2 LYS 26 far 0 88 0 - 7.9-11.1 HA ALA 21 - HD2 LYS 31 far 0 80 0 - 8.2-24.8 HA LYS 31 - HD3 LYS 19 far 0 91 0 - 8.3-27.0 HA LEU 22 - HD2 LYS 26 far 0 100 0 - 8.4-15.7 HA SER 74 - HD2 LYS 24 far 0 77 0 - 8.4-24.9 HA ARG 23 - HD3 LYS 19 far 0 79 0 - 8.4-12.6 HA ALA 12 - HD3 LYS 31 far 0 90 0 - 8.4-38.1 HA LEU 22 - HD3 LYS 26 far 0 100 0 - 8.5-15.5 HA LEU 22 - HD2 LYS 19 far 0 94 0 - 8.6-11.0 HA LEU 22 - HD2 LYS 31 far 0 100 0 - 8.6-22.9 HA ARG 23 - HD2 LYS 19 far 0 79 0 - 8.7-12.2 HA THR 18 - HD2 LYS 24 far 0 75 0 - 8.7-12.7 HA THR 18 - HD2 LYS 31 far 0 75 0 - 8.7-26.2 HA THR 25 - HD3 LYS 31 far 0 78 0 - 8.7-17.7 HA LYS 31 - HD2 LYS 19 far 0 91 0 - 8.9-27.5 HA LYS 31 - HD3 LYS 36 far 0 83 0 - 9.1-9.5 HA THR 18 - HD3 LYS 24 far 0 75 0 - 9.1-13.3 HA THR 25 - HD2 LYS 31 far 0 77 0 - 9.2-17.6 HA ALA 15 - HD3 LYS 31 far 0 90 0 - 9.4-29.3 HA GLN 27 - HD3 LYS 31 far 0 70 0 - 9.4-13.4 HA GLN 27 - HD2 LYS 31 far 0 70 0 - 9.5-14.5 HA LEU 22 - HD3 LYS 19 far 0 94 0 - 9.5-12.1 HA ARG 23 - HD2 LYS 36 far 0 71 0 - 9.5-19.6 HA GLN 27 - HD3 LYS 24 far 0 70 0 - 9.6-12.5 HA THR 25 - HD2 LYS 19 far 0 69 0 - 9.6-17.8 HA LYS 19 - HD3 LYS 26 far 0 100 0 - 9.7-20.2 HA PHE 87 - HD3 LYS 19 far 0 93 0 - 9.9-41.0 HA PHE 87 - HD2 LYS 19 far 0 93 0 - 10.0-40.9 HA LYS 26 - HD3 LYS 19 far 0 94 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 661 from cnoeabs.peaks (1.75, 1.66, 28.90 ppm; 4.35 A): 8 out of 44 assignments used, quality = 1.00: * HB2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-3.9 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.1-4.0 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.6-3.7 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.6-4.2 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 2.1-4.2 3.5=100 HB2 LYS 19 + HD3 LYS 19 OK 94 94 100 100 2.0-3.5 3.9=100 HB2 LYS 19 + HD2 LYS 19 OK 94 94 100 100 2.2-3.2 3.9=100 HB2 LYS 31 - HD2 LYS 26 poor 20 99 20 - 3.7-10.0 HB2 LYS 31 - HD3 LYS 26 far 15 99 15 - 2.1-9.6 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.6-25.0 HB2 ARG 23 - HD3 LYS 31 far 5 99 5 - 4.8-19.6 HB2 LYS 19 - HD2 LYS 31 far 0 100 0 - 5.2-25.0 HB2 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.4-13.3 HG3 ARG 90 - HD3 LYS 19 far 0 77 0 - 5.6-37.6 HB2 ARG 23 - HD3 LYS 24 far 0 99 0 - 5.6-9.0 HB2 ARG 23 - HD2 LYS 31 far 0 99 0 - 5.7-20.8 HB2 ARG 23 - HD2 LYS 24 far 0 99 0 - 6.0-9.1 HB2 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.1-13.8 HG3 ARG 90 - HD2 LYS 19 far 0 77 0 - 6.5-37.7 HB2 ARG 23 - HD3 LYS 19 far 0 93 0 - 7.3-12.6 HB2 LYS 24 - HD2 LYS 19 far 0 94 0 - 7.3-16.3 HB2 ARG 23 - HD2 LYS 19 far 0 93 0 - 7.5-11.9 HB2 ARG 23 - HD3 LYS 26 far 0 100 0 - 7.5-14.0 HB ILE 80 - HD3 LYS 19 far 0 85 0 - 7.8-37.4 HB2 ARG 23 - HD2 LYS 26 far 0 99 0 - 7.8-13.1 HB2 LYS 19 - HD3 LYS 24 far 0 100 0 - 7.9-15.5 HB2 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.9-11.0 HB2 LYS 31 - HD3 LYS 19 far 0 92 0 - 8.2-24.6 HB2 LYS 19 - HD2 LYS 24 far 0 100 0 - 8.2-15.2 HB2 LYS 24 - HD3 LYS 19 far 0 94 0 - 8.2-16.3 HB2 LYS 31 - HD2 LYS 36 far 0 84 0 - 8.4-9.8 HB2 LYS 26 - HD3 LYS 24 far 0 100 0 - 8.4-11.9 HB2 LYS 24 - HD2 LYS 26 far 0 100 0 - 8.6-11.1 HB2 LYS 31 - HD2 LYS 24 far 0 98 0 - 8.8-21.3 HB ILE 80 - HD2 LYS 19 far 0 85 0 - 9.2-37.4 HB2 LYS 31 - HD2 LYS 19 far 0 92 0 - 9.2-25.0 HB2 LYS 31 - HD3 LYS 24 far 0 99 0 - 9.4-20.4 HB2 ARG 23 - HD2 LYS 36 far 0 86 0 - 9.5-21.1 HB2 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.6-12.5 HB2 LYS 31 - HD3 LYS 36 far 0 84 0 - 9.7-11.4 HG3 ARG 90 - HD3 LYS 24 far 0 86 0 - 9.8-25.6 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 9.9-20.2 HB2 LYS 24 - HD2 LYS 31 far 0 100 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 662 from cnoeabs.peaks (1.82, 1.66, 28.90 ppm; 4.16 A): 12 out of 60 assignments used, quality = 1.00: * HB3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.0-3.3 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.0-3.2 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.1-3.7 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.5-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.1-4.1 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 98 98 100 100 2.0-3.8 3.5=100 HB3 LYS 19 + HD3 LYS 19 OK 92 92 100 100 3.3-4.2 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 92 92 100 100 3.5-4.1 3.9=100 HB2 LYS 36 + HD2 LYS 36 OK 87 87 100 100 2.0-3.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 3.0-4.0 3.5=100 HB ILE 32 + HD2 LYS 26 OK 60 100 60 100 4.2-5.1 ~10767=35, 3.0/10763=35...(49) HB ILE 32 + HD3 LYS 26 OK 30 100 30 100 3.4-6.5 10833/1.8=38, ~10766=31...(54) HB3 LYS 31 - HD3 LYS 26 far 10 99 10 - 3.5-10.7 HB3 ARG 23 - HD3 LYS 24 far 5 100 5 - 4.2-8.9 HB3 LYS 19 - HD3 LYS 31 far 5 99 5 - 3.0-23.2 HB3 LYS 31 - HD2 LYS 26 far 5 99 5 - 4.7-11.2 HB3 LYS 19 - HD2 LYS 31 far 5 98 5 - 3.4-23.3 HB3 ARG 23 - HD2 LYS 24 far 0 99 0 - 5.3-8.9 HB ILE 32 - HD2 LYS 36 far 0 87 0 - 5.9-6.8 HB3 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.9-12.3 HB2 LYS 36 - HD3 LYS 26 far 0 100 0 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 26 far 0 100 0 - 6.3-14.3 HB2 LYS 36 - HD2 LYS 26 far 0 100 0 - 6.3-11.2 HB3 LYS 19 - HD3 LYS 24 far 0 99 0 - 6.4-14.8 HB ILE 32 - HD3 LYS 31 far 0 100 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 100 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 100 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 100 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 98 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.8-12.2 HB3 ARG 23 - HD2 LYS 31 far 0 99 0 - 7.3-22.1 HB ILE 32 - HD3 LYS 36 far 0 87 0 - 7.6-8.5 HB3 LYS 31 - HD3 LYS 19 far 0 92 0 - 8.1-26.2 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.1-12.5 HB2 CYS 79 - HD3 LYS 19 far 0 73 0 - 8.3-33.8 HB2 LYS 36 - HD2 LYS 31 far 0 100 0 - 8.3-12.3 HB2 LYS 86 - HD3 LYS 19 far 0 64 0 - 8.4-38.5 HB3 LYS 31 - HD2 LYS 19 far 0 92 0 - 8.4-26.6 HB VAL 93 - HD3 LYS 19 far 0 90 0 - 8.4-40.5 HB3 ARG 23 - HD3 LYS 19 far 0 93 0 - 8.5-12.9 HB2 CYS 79 - HD2 LYS 24 far 0 82 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 82 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 100 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 19 far 0 93 0 - 8.8-16.9 HB3 LYS 24 - HD2 LYS 26 far 0 99 0 - 8.8-11.0 HB3 ARG 23 - HD2 LYS 19 far 0 93 0 - 8.9-12.7 HB VAL 93 - HD2 LYS 19 far 0 90 0 - 9.3-40.8 HB3 LYS 31 - HD2 LYS 36 far 0 84 0 - 9.3-10.5 HB2 LYS 86 - HD2 LYS 19 far 0 64 0 - 9.3-38.4 HB3 LYS 26 - HD3 LYS 24 far 0 100 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 99 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 99 0 - 9.5-19.2 HB3 LYS 26 - HD2 LYS 36 far 0 87 0 - 9.7-12.7 HB2 CYS 79 - HD3 LYS 36 far 0 66 0 - 9.8-11.3 HB2 CYS 79 - HD2 LYS 36 far 0 66 0 - 9.8-11.7 HB3 LYS 24 - HD3 LYS 19 far 0 93 0 - 9.8-17.0 HB3 ARG 23 - HD2 LYS 36 far 0 86 0 - 9.9-20.6 HB2 CYS 79 - HD3 LYS 24 far 0 82 0 - 9.9-24.7 HB2 CYS 79 - HD2 LYS 19 far 0 73 0 - 9.9-33.8 HB3 LYS 31 - HD2 LYS 24 far 0 98 0 - 10.0-22.7 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 53 assignments used, quality = 1.00: * HG2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 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 2.2-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 97 97 100 100 2.4-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 94 94 100 100 2.3-3.0 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 2.3-2.8 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 88 88 100 100 2.9-3.0 3.0=100 HG13 ILE 32 + HD2 LYS 26 OK 62 99 65 96 2.3-5.4 ~10767=27, 892/10763=19...(40) HG13 ILE 32 - HD3 LYS 26 poor 20 99 20 - 3.4-5.5 QB ALA 16 - HD2 LYS 19 far 5 54 10 - 3.5-7.5 HG3 LYS 19 - HD3 LYS 31 far 5 96 5 - 3.5-23.9 HG2 LYS 31 - HD3 LYS 26 far 0 98 0 - 4.0-11.7 QB ALA 16 - HD3 LYS 31 far 0 62 0 - 4.2-24.3 QB ALA 34 - HD2 LYS 26 far 0 93 0 - 4.2-7.0 QB ALA 16 - HD3 LYS 19 far 0 54 0 - 4.2-7.8 HG3 LYS 19 - HD2 LYS 31 far 0 96 0 - 4.2-23.7 QB ALA 34 - HD3 LYS 26 far 0 93 0 - 4.4-7.4 QB ALA 16 - HD2 LYS 31 far 0 62 0 - 4.6-24.2 HG2 LYS 26 - HD3 LYS 31 far 0 100 0 - 5.1-14.0 HG2 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.2-13.9 HG2 LYS 31 - HD2 LYS 26 far 0 98 0 - 5.7-12.1 QB ALA 34 - HD2 LYS 36 far 0 76 0 - 5.8-6.1 HG13 ILE 32 - HD2 LYS 31 far 0 99 0 - 6.0-8.4 HG13 ILE 32 - HD3 LYS 31 far 0 99 0 - 6.2-9.0 QB ALA 34 - HD3 LYS 36 far 0 76 0 - 6.3-6.6 HG3 LYS 19 - HD3 LYS 24 far 0 96 0 - 7.6-15.9 QB ALA 34 - HD3 LYS 19 far 0 84 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 93 0 - 7.9-10.9 HG2 LYS 86 - HD3 LYS 19 far 0 87 0 - 8.0-37.5 HG3 LYS 24 - HD2 LYS 19 far 0 85 0 - 8.0-16.0 HG2 LYS 31 - HD2 LYS 36 far 0 83 0 - 8.0-10.5 QB ALA 34 - HD2 LYS 31 far 0 92 0 - 8.0-10.8 HG13 ILE 32 - HD2 LYS 36 far 0 85 0 - 8.1-8.6 HG2 LYS 26 - HD3 LYS 24 far 0 100 0 - 8.3-12.6 HG3 LYS 19 - HD2 LYS 24 far 0 96 0 - 8.4-15.6 HG2 LYS 31 - HD3 LYS 19 far 0 90 0 - 8.5-25.2 HG2 LYS 31 - HD2 LYS 19 far 0 90 0 - 8.5-25.7 QB ALA 34 - HD2 LYS 24 far 0 92 0 - 8.8-16.8 QB ALA 16 - HD2 LYS 24 far 0 62 0 - 9.0-17.1 HG3 LYS 19 - HD3 LYS 26 far 0 97 0 - 9.0-20.4 QB ALA 34 - HD2 LYS 19 far 0 84 0 - 9.1-23.8 HG2 LYS 31 - HD3 LYS 36 far 0 83 0 - 9.2-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 87 0 - 9.2-12.8 HG3 LYS 24 - HD3 LYS 19 far 0 85 0 - 9.2-16.2 QB ALA 34 - HD3 LYS 24 far 0 93 0 - 9.2-15.8 HG2 LYS 86 - HD2 LYS 19 far 0 87 0 - 9.3-37.4 HG2 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.4-13.2 HG3 LYS 19 - HD2 LYS 26 far 0 96 0 - 9.5-19.8 HG3 LYS 24 - HD3 LYS 31 far 0 94 0 - 9.8-22.2 HG13 ILE 32 - HD3 LYS 36 far 0 85 0 - 9.8-10.3 QB ALA 16 - HD3 LYS 24 far 0 62 0 - 9.9-17.6 HG2 LYS 31 - HD2 LYS 24 far 0 97 0 - 10.0-23.6 Violated in 0 structures by 0.00 A. Peak 664 from cnoeabs.peaks (1.38, 1.66, 28.90 ppm; 4.24 A): 10 out of 68 assignments used, quality = 1.00: * HG3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.6-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.4-3.0 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 2.2-3.0 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 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 87 87 100 100 2.7-2.9 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 79 79 100 100 2.2-2.7 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 79 79 100 100 2.3-3.0 3.0=100 QB ALA 16 - HD2 LYS 19 poor 20 66 30 - 3.5-7.5 QB ALA 29 - HD2 LYS 26 poor 13 100 25 53 2.5-6.4 10790/10833=19...(14) QB ALA 16 - HD3 LYS 19 poor 13 66 20 - 4.2-7.8 QB ALA 29 - HD3 LYS 26 poor 13 100 30 43 2.3-7.8 10739/10829=13...(14) HG3 LYS 31 - HD3 LYS 26 far 10 98 10 - 4.1-12.0 QB ALA 28 - HD3 LYS 26 far 5 100 5 - 4.7-8.5 QB ALA 15 - HD3 LYS 19 far 5 94 5 - 3.7-10.4 QB ALA 15 - HD2 LYS 19 far 5 94 5 - 3.8-10.9 HG2 LYS 19 - HD3 LYS 31 far 4 88 5 - 3.6-23.8 QB ALA 12 - HD2 LYS 31 far 4 77 5 - 4.5-32.1 QB ALA 16 - HD3 LYS 31 far 4 75 5 - 4.2-24.3 QB ALA 16 - HD2 LYS 31 far 4 75 5 - 4.6-24.2 HG2 LYS 19 - HD2 LYS 31 far 0 88 0 - 4.9-23.9 QB ALA 28 - HD2 LYS 26 far 0 100 0 - 4.9-7.9 QB ALA 12 - HD3 LYS 31 far 0 78 0 - 5.2-32.1 HG3 LYS 31 - HD2 LYS 26 far 0 98 0 - 5.4-12.2 QB ALA 29 - HD2 LYS 36 far 0 87 0 - 6.1-9.0 HG3 LYS 31 - HD2 LYS 36 far 0 83 0 - 6.6-10.5 HG3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.9-14.3 QB ALA 12 - HD3 LYS 19 far 0 69 0 - 7.4-17.7 QB ALA 29 - HD3 LYS 36 far 0 87 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 100 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 100 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 90 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 88 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 90 0 - 7.7-26.9 QB ALA 28 - HD3 LYS 31 far 0 100 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 100 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 83 0 - 7.9-11.7 QB ALA 28 - HD2 LYS 24 far 0 100 0 - 8.1-15.1 QB ALA 28 - HD2 LYS 31 far 0 100 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 69 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 88 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 94 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 62 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 100 0 - 8.6-22.7 QB ALA 16 - HD2 LYS 24 far 0 75 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 100 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 100 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 86 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 87 0 - 9.1-12.8 QB ALA 12 - HD3 LYS 36 far 0 62 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 100 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 100 0 - 9.2-24.7 HG2 LYS 24 - HD3 LYS 26 far 0 100 0 - 9.3-12.6 HG3 LYS 31 - HD2 LYS 24 far 0 97 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 100 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 94 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 100 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 100 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 98 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 89 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 100 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 75 0 - 9.9-17.6 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 64 assignments used, quality = 1.00: * HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-2.9 3.0=100 HE3 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 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.3-3.0 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 + HD2 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 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 90 90 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 90 90 100 100 2.3-3.0 2.9=100 HE3 LYS 36 + HD2 LYS 36 OK 85 85 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 85 85 100 100 2.5-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 82 82 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 82 82 100 100 2.4-3.0 3.0=100 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 97 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 98 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 87 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 94 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 86 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 94 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 94 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 97 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 87 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 97 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 87 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.7-13.6 HE2 LYS 31 - HD3 LYS 36 far 0 86 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 94 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 87 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 91 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 92 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 87 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 91 0 - 8.6-36.9 HE3 LYS 24 - HD3 LYS 19 far 0 92 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 87 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 55 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 97 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 87 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 100 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 97 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 94 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 94 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 87 0 - 9.9-17.4 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 64 assignments used, quality = 1.00: HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 * HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-2.9 3.0=100 HE3 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 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.3-3.0 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 + HD2 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 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 90 90 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 90 90 100 100 2.3-3.0 2.9=100 HE3 LYS 36 + HD2 LYS 36 OK 85 85 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 85 85 100 100 2.5-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 82 82 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 82 82 100 100 2.4-3.0 3.0=100 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 97 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 98 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 87 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 94 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 86 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 94 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 94 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 97 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 87 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 97 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 87 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.7-13.6 HE2 LYS 31 - HD3 LYS 36 far 0 86 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 94 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 87 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 91 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 92 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 87 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 91 0 - 8.6-36.9 HE3 LYS 24 - HD3 LYS 19 far 0 92 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 87 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 55 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 97 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 87 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 100 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 97 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 94 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 94 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 87 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 671 from cnoeabs.peaks (4.27, 2.97, 41.80 ppm; 5.55 A): 13 out of 96 assignments used, quality = 1.00: HA LYS 31 + HE3 LYS 31 OK 98 99 100 99 2.0-5.9 6.5=63, 822/3.7=36...(27) HA LYS 31 + HE2 LYS 31 OK 97 98 100 99 2.1-5.2 6.5=63, 822/3.7=36...(27) HA LYS 26 + HE3 LYS 26 OK 93 100 95 98 3.0-6.3 6.6=60, 627/3.6=31...(22) HA LYS 19 + HE3 LYS 19 OK 89 100 90 99 4.9-6.3 6.4=66, 271/3.8=32...(35) HA LYS 19 + HE2 LYS 19 OK 88 94 95 99 5.1-6.2 6.4=66, 271/3.8=32...(35) HA LYS 36 + HE3 LYS 36 OK 77 97 80 100 5.0-6.5 6.0=81, 3.0/1064=42...(23) HA THR 25 + HE3 LYS 26 OK 73 78 100 93 3.5-5.7 11150/3.6=60, 9587=57...(7) * HA LYS 26 + HE2 LYS 26 OK 69 100 70 98 3.7-6.4 6.6=60, 627/3.6=31...(23) HA PHE 87 + HE3 LYS 86 OK 64 95 70 96 4.1-7.3 4.9/2704=67...(10) HA LYS 36 + HE2 LYS 36 OK 45 90 50 100 5.2-6.5 6.0=81, 3.0/1064=41...(23) HA THR 25 + HE2 LYS 26 OK 43 78 60 92 4.4-6.6 11150/3.6=60...(7) HA LEU 22 + HE3 LYS 24 OK 36 98 70 52 3.2-7.5 11967/4.0=17...(8) HA LEU 22 + HE2 LYS 24 OK 29 87 70 48 2.6-9.0 11967/4.0=17, 282/4.0=10...(8) HA ALA 21 - HE3 LYS 24 poor 19 76 25 - 3.4-10.6 HA THR 18 - HE3 LYS 19 poor 19 75 25 - 5.2-8.0 HA GLN 27 - HE2 LYS 26 poor 18 71 25 - 2.1-8.9 HA ALA 15 - HE2 LYS 19 poor 16 81 20 - 3.3-12.8 HA ALA 21 - HE2 LYS 24 poor 16 64 25 - 4.2-11.2 HA GLN 27 - HE3 LYS 26 poor 14 71 35 58 2.9-8.6 ~6266=23, ~6267=23...(10) HA ARG 23 - HE2 LYS 24 poor 14 71 20 - 5.3-8.2 HA ARG 23 - HE3 LYS 26 far 13 89 15 - 5.5-9.8 HA ALA 15 - HE3 LYS 19 far 9 89 10 - 4.2-13.5 HA THR 18 - HE2 LYS 19 far 7 66 10 - 5.5-8.1 HA LYS 36 - HE2 LYS 26 far 5 99 5 - 4.3-11.5 HA LYS 36 - HE3 LYS 26 far 5 99 5 - 5.8-13.1 HA LYS 19 - HE3 LYS 24 far 5 98 5 - 5.0-13.6 HA ALA 12 - HE3 LYS 31 far 5 90 5 - 6.1-40.4 HA ARG 23 - HE3 LYS 31 far 4 89 5 - 5.8-19.4 HA ARG 23 - HE2 LYS 31 far 4 88 5 - 5.0-20.1 HA LYS 19 - HE2 LYS 24 far 4 87 5 - 5.8-13.5 HA ARG 23 - HE3 LYS 24 far 4 84 5 - 4.4-8.2 HA ALA 12 - HE2 LYS 19 far 4 81 5 - 6.0-22.2 HA SER 74 - HE3 LYS 19 far 4 77 5 - 5.2-36.6 HA ALA 16 - HE3 LYS 19 lone 4 98 45 8 2.8-10.3 7131/7.3=1, 11966/10705=1 HA ALA 21 - HE3 LYS 86 far 4 73 5 - 6.1-29.7 HA SER 74 - HE2 LYS 19 far 3 69 5 - 5.8-36.2 HA ALA 16 - HE2 LYS 19 lone 3 92 40 8 2.4-9.8 11966/10705=2, 7131/7.3=1 HA LYS 19 - HE3 LYS 31 far 0 100 0 - 6.3-26.2 HA LYS 31 - HE2 LYS 26 far 0 99 0 - 6.4-11.5 HA THR 25 - HE2 LYS 24 far 0 62 0 - 6.4-9.3 HA LEU 22 - HE3 LYS 26 far 0 100 0 - 6.5-14.0 HA ARG 23 - HE2 LYS 26 far 0 89 0 - 6.5-11.3 HA ALA 12 - HE3 LYS 19 far 0 89 0 - 6.5-22.7 HA ARG 84 - HE3 LYS 86 far 0 73 0 - 6.6-8.1 HA THR 25 - HE3 LYS 24 far 0 74 0 - 6.6-9.1 HA THR 18 - HE3 LYS 24 far 0 72 0 - 6.6-13.8 HA LYS 31 - HE3 LYS 26 far 0 99 0 - 6.8-12.3 HA ALA 16 - HE2 LYS 31 far 0 98 0 - 6.9-30.4 HA LEU 22 - HE2 LYS 26 far 0 100 0 - 6.9-15.6 HA ALA 12 - HE2 LYS 31 far 0 89 0 - 7.0-40.4 HA LYS 19 - HE2 LYS 31 far 0 100 0 - 7.1-26.6 HA ALA 21 - HE3 LYS 31 far 0 81 0 - 7.2-25.5 HA PHE 87 - HE3 LYS 19 far 0 99 0 - 7.2-42.2 HA LYS 31 - HE3 LYS 36 far 0 96 0 - 7.4-9.6 HA LYS 26 - HE3 LYS 31 far 0 100 0 - 7.5-15.0 HA SER 74 - HE3 LYS 86 far 0 71 0 - 7.5-9.7 HA THR 18 - HE2 LYS 24 far 0 59 0 - 7.6-15.0 HA LYS 31 - HE2 LYS 36 far 0 89 0 - 7.6-9.8 HA ALA 21 - HE3 LYS 19 far 0 80 0 - 7.6-10.3 HA LEU 22 - HE3 LYS 86 far 0 96 0 - 7.9-26.6 HA THR 18 - HE3 LYS 86 far 0 68 0 - 7.9-33.5 HA ALA 12 - HE3 LYS 86 far 0 83 0 - 8.1-39.4 HA THR 18 - HE3 LYS 26 far 0 76 0 - 8.2-19.3 HA LYS 26 - HE2 LYS 31 far 0 100 0 - 8.2-15.4 HA ALA 21 - HE2 LYS 31 far 0 80 0 - 8.2-26.1 HA THR 18 - HE3 LYS 31 far 0 76 0 - 8.3-28.4 HA ALA 16 - HE3 LYS 31 far 0 99 0 - 8.4-30.7 HA ALA 21 - HE3 LYS 26 far 0 81 0 - 8.4-15.9 HA ALA 15 - HE3 LYS 86 far 0 83 0 - 8.5-39.8 HA PHE 87 - HE2 LYS 19 far 0 93 0 - 8.5-42.1 HA LYS 26 - HE3 LYS 24 far 0 98 0 - 8.6-11.9 HA ALA 21 - HE2 LYS 19 far 0 71 0 - 8.7-10.4 HA LYS 31 - HE3 LYS 19 far 0 98 0 - 8.7-28.4 HA THR 25 - HE2 LYS 19 far 0 69 0 - 8.8-18.5 HA GLN 27 - HE2 LYS 19 far 0 62 0 - 8.8-22.4 HA THR 25 - HE3 LYS 19 far 0 77 0 - 8.8-18.9 HA THR 18 - HE2 LYS 26 far 0 76 0 - 9.0-20.9 HA ALA 21 - HE2 LYS 26 far 0 81 0 - 9.0-17.3 HA ALA 15 - HE2 LYS 31 far 0 89 0 - 9.0-31.5 HA LEU 22 - HE3 LYS 31 far 0 100 0 - 9.0-24.6 HA ARG 23 - HE3 LYS 19 far 0 88 0 - 9.0-13.3 HA LEU 22 - HE2 LYS 31 far 0 100 0 - 9.1-24.1 HA ARG 23 - HE2 LYS 19 far 0 79 0 - 9.2-14.1 HA LYS 26 - HE2 LYS 24 far 0 87 0 - 9.3-11.8 HA LYS 19 - HE3 LYS 86 far 0 95 0 - 9.3-33.7 HA ALA 16 - HE3 LYS 86 far 0 93 0 - 9.5-38.9 HA LEU 22 - HE3 LYS 19 far 0 100 0 - 9.5-13.0 HA LYS 19 - HE3 LYS 26 far 0 100 0 - 9.6-19.2 HA SER 74 - HE3 LYS 24 far 0 74 0 - 9.6-24.1 HA LYS 26 - HE2 LYS 19 far 0 94 0 - 9.6-18.3 HA ARG 84 - HE3 LYS 19 far 0 80 0 - 9.7-44.8 HA THR 18 - HE2 LYS 31 far 0 75 0 - 9.7-28.5 HA LEU 22 - HE2 LYS 19 far 0 94 0 - 9.9-12.7 HA SER 74 - HE3 LYS 26 far 0 78 0 - 9.9-17.7 HA ARG 84 - HE2 LYS 19 far 0 71 0 - 9.9-44.9 HA LYS 31 - HE2 LYS 19 far 0 91 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 672 from cnoeabs.peaks (1.75, 2.97, 41.80 ppm; 4.55 A): 10 out of 44 assignments used, quality = 1.00: HB2 LYS 26 + HE3 LYS 26 OK 99 100 100 99 3.5-5.0 4.8=85, 6250/7.1=27...(57) HB2 LYS 19 + HE3 LYS 19 OK 99 100 100 99 2.5-4.5 5.1=72, 6149/7.3=24...(64) HB2 LYS 31 + HE3 LYS 31 OK 98 99 100 99 3.0-5.1 4.8=83, 6331/7.1=26...(56) HB2 LYS 19 + HE2 LYS 19 OK 93 94 100 99 2.9-4.6 5.1=72, 6149/7.3=24...(64) HB2 LYS 24 + HE3 LYS 24 OK 91 98 95 98 2.2-5.4 5.1=72, 6220/7.4=23...(30) HB2 LYS 31 + HE2 LYS 31 OK 83 98 85 99 2.4-5.5 4.8=83, 6331/7.1=26...(56) HB2 LYS 24 + HE2 LYS 24 OK 81 86 95 98 3.6-5.5 5.1=72, 6220/7.4=23...(30) * HB2 LYS 26 + HE2 LYS 26 OK 55 100 55 99 4.2-5.5 4.8=85, 6250/7.1=27...(58) HG3 ARG 90 + HE3 LYS 86 OK 36 79 60 76 3.7-8.7 9651/9655=50...(5) HB ILE 80 + HE3 LYS 86 OK 26 87 30 100 2.0-5.4 ~11777=49, ~11877=48...(20) HB2 LYS 31 - HE3 LYS 26 far 10 99 10 - 4.4-12.1 HB2 LYS 31 - HE2 LYS 26 far 10 99 10 - 4.9-11.4 HB2 ARG 23 - HE3 LYS 31 far 5 100 5 - 4.8-21.0 HB2 ARG 23 - HE2 LYS 31 far 5 99 5 - 4.8-21.9 HG3 ARG 90 - HE3 LYS 19 far 4 86 5 - 4.1-39.0 HG3 ARG 90 - HE2 LYS 19 far 4 77 5 - 4.9-38.8 HB2 ARG 23 - HE3 LYS 26 far 0 100 0 - 5.2-11.7 HB2 ARG 23 - HE2 LYS 26 far 0 100 0 - 5.5-13.0 HB2 ARG 23 - HE2 LYS 24 far 0 86 0 - 5.6-10.2 HB2 ARG 23 - HE3 LYS 24 far 0 97 0 - 6.2-9.9 HB2 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.4-27.0 HB ILE 80 - HE3 LYS 19 far 0 94 0 - 6.5-38.3 HB2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.6-15.7 HB2 LYS 19 - HE3 LYS 24 far 0 98 0 - 6.8-15.7 HB2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.8-15.8 HB2 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.3-27.4 HB2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.4-9.9 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 7.5-17.7 HB2 LYS 19 - HE2 LYS 24 far 0 87 0 - 7.8-15.4 HB2 LYS 24 - HE2 LYS 19 far 0 94 0 - 7.8-17.5 HB2 LYS 31 - HE3 LYS 19 far 0 98 0 - 7.9-25.8 HB2 ARG 23 - HE3 LYS 19 far 0 99 0 - 7.9-12.3 HB2 ARG 23 - HE3 LYS 86 far 0 95 0 - 8.0-27.8 HB ILE 80 - HE2 LYS 19 far 0 85 0 - 8.2-38.1 HB2 LYS 19 - HE3 LYS 86 far 0 96 0 - 8.3-35.8 HB2 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-10.9 HB2 LYS 31 - HE2 LYS 24 far 0 84 0 - 8.4-21.1 HB2 LYS 31 - HE2 LYS 19 far 0 92 0 - 8.4-24.2 HB2 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.4-11.9 HB2 ARG 23 - HE2 LYS 19 far 0 93 0 - 8.5-13.2 HB2 LYS 19 - HE3 LYS 26 far 0 100 0 - 8.5-20.9 HB2 LYS 31 - HE2 LYS 36 far 0 89 0 - 8.8-11.9 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.3-21.9 HB2 LYS 31 - HE3 LYS 24 far 0 96 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 673 from cnoeabs.peaks (1.82, 2.97, 41.80 ppm; 5.18 A): 12 out of 63 assignments used, quality = 1.00: * HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 3.6-5.0 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.7-4.6 4.8=100 HB3 LYS 31 + HE3 LYS 31 OK 99 99 100 100 2.2-5.0 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.0-5.3 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 3.2-5.4 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.8-4.2 4.9=100 HB3 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.4-4.6 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 92 92 100 100 3.5-4.5 4.9=100 HB3 LYS 19 + HE2 LYS 19 OK 92 92 100 100 3.3-5.4 5.1=100 HB3 LYS 24 + HE2 LYS 24 OK 86 86 100 100 2.0-5.0 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 66 66 100 100 1.8-3.6 4.9=100 HB ILE 32 + HE2 LYS 26 OK 65 100 65 100 4.9-6.6 2.1/10766=77...(43) HB3 ARG 23 - HE2 LYS 26 far 10 100 10 - 4.6-12.5 HB ILE 32 - HE3 LYS 26 far 5 100 5 - 4.6-7.5 HB3 ARG 23 - HE3 LYS 26 far 5 100 5 - 3.7-11.8 HB2 LYS 36 - HE2 LYS 26 far 5 100 5 - 5.4-11.8 HB3 LYS 19 - HE3 LYS 31 far 5 99 5 - 4.9-25.2 HB3 LYS 19 - HE2 LYS 31 far 5 98 5 - 5.6-25.7 HB3 LYS 19 - HE3 LYS 24 far 5 96 5 - 5.6-14.9 HB3 ARG 23 - HE2 LYS 24 far 4 86 5 - 4.7-9.9 HB3 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.0-13.3 HB3 ARG 23 - HE3 LYS 24 far 0 98 0 - 6.1-9.9 HB3 ARG 23 - HE2 LYS 31 far 0 99 0 - 6.2-23.1 HB ILE 32 - HE2 LYS 31 far 0 100 0 - 6.3-10.3 HB3 LYS 31 - HE2 LYS 26 far 0 99 0 - 6.3-12.4 HB3 ARG 23 - HE3 LYS 31 far 0 100 0 - 6.4-22.1 HB3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-14.0 HB3 LYS 19 - HE2 LYS 24 far 0 84 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 75 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 91 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 98 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 93 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 100 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 72 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 100 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 97 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 99 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 92 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 90 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 99 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 98 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 92 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 82 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 64 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 100 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 92 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 83 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 95 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 99 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 96 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 93 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 99 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 84 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 83 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 89 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 93 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 96 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 73 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 78 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 674 from cnoeabs.peaks (1.43, 2.97, 41.80 ppm; 3.96 A): 10 out of 56 assignments used, quality = 1.00: HG2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.8 3.6=100 * HG2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.7-4.1 3.6=100 HG2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.2 3.7=100 HG2 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.1-4.0 3.7=100 HG3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.2-3.7 3.8=100 HG3 LYS 24 + HE3 LYS 24 OK 90 91 100 99 2.3-3.9 4.0=98, 484/6.4=22...(17) HG2 LYS 86 + HE3 LYS 86 OK 89 89 100 100 2.5-3.7 3.7=100 HG3 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.1-3.9 3.8=100 HG3 LYS 24 + HE2 LYS 24 OK 77 78 100 99 2.3-4.0 4.0=98, 484/6.4=22...(17) HG13 ILE 32 + HE2 LYS 26 OK 24 99 25 98 3.5-6.7 3.2/10766=45...(40) QB ALA 16 - HE2 LYS 19 poor 19 54 35 - 2.2-8.0 QB ALA 16 - HE3 LYS 19 poor 19 62 30 - 2.7-9.0 QB ALA 34 - HE3 LYS 26 far 9 93 10 - 4.0-7.8 QB ALA 34 - HE2 LYS 26 poor 7 93 35 23 3.1-7.1 908/10766=19, 6364/876=3 HG13 ILE 32 - HE3 LYS 26 far 5 99 5 - 4.5-7.4 HG3 LYS 19 - HE3 LYS 31 far 5 97 5 - 4.4-25.7 QB ALA 16 - HE2 LYS 31 far 3 62 5 - 3.9-25.9 QB ALA 16 - HE3 LYS 31 far 0 63 0 - 5.2-26.1 HG3 LYS 19 - HE2 LYS 31 far 0 96 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 90 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 98 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.5-13.4 HG2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.6-15.6 HG13 ILE 32 - HE2 LYS 31 far 0 99 0 - 6.7-10.1 HG2 LYS 86 - HE3 LYS 19 far 0 95 0 - 6.8-38.5 HG13 ILE 32 - HE3 LYS 31 far 0 99 0 - 6.9-10.1 HG2 LYS 26 - HE3 LYS 31 far 0 100 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 93 0 - 7.0-15.8 QB ALA 34 - HE2 LYS 19 far 0 84 0 - 7.3-24.1 HG3 LYS 19 - HE3 LYS 26 far 0 97 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 95 0 - 7.4-12.4 QB ALA 34 - HE2 LYS 31 far 0 92 0 - 7.5-11.5 HG3 LYS 19 - HE2 LYS 26 far 0 97 0 - 7.6-21.0 QB ALA 34 - HE3 LYS 36 far 0 89 0 - 7.6-8.5 HG2 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.7-26.4 QB ALA 34 - HE2 LYS 36 far 0 82 0 - 7.9-8.4 HG2 LYS 31 - HE2 LYS 36 far 0 88 0 - 8.0-11.8 QB ALA 34 - HE3 LYS 31 far 0 93 0 - 8.0-12.3 HG2 LYS 86 - HE2 LYS 19 far 0 87 0 - 8.4-38.3 HG2 LYS 31 - HE2 LYS 19 far 0 90 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 80 0 - 8.4-15.9 QB ALA 34 - HE3 LYS 19 far 0 92 0 - 8.5-24.4 HG3 LYS 24 - HE3 LYS 19 far 0 94 0 - 8.6-17.0 QB ALA 34 - HE3 LYS 86 far 0 86 0 - 8.7-11.0 HG2 LYS 31 - HE2 LYS 24 far 0 83 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 97 0 - 9.0-11.0 QB ALA 16 - HE2 LYS 24 far 0 48 0 - 9.1-18.0 HG3 LYS 24 - HE2 LYS 19 far 0 85 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 95 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 90 0 - 9.4-11.1 QB ALA 92 - HE3 LYS 86 far 0 95 0 - 9.6-11.3 QB ALA 16 - HE3 LYS 86 far 0 56 0 - 9.6-34.1 HG3 LYS 24 - HE2 LYS 26 far 0 95 0 - 9.7-13.1 HG3 LYS 24 - HE3 LYS 86 far 0 87 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.8-14.5 QB ALA 34 - HE3 LYS 24 far 0 89 0 - 9.9-15.9 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 72 assignments used, quality = 1.00: HG3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-3.4 3.6=100 * HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.3-3.8 3.6=100 HG3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.0 3.7=100 HG2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 98 98 100 100 3.1-4.2 4.0=99, 3.0/1064=25...(20) HG3 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.1-4.2 3.7=100 HG2 LYS 36 + HE2 LYS 36 OK 92 92 100 100 3.1-4.1 4.0=99, 3.0/1064=25...(21) HG2 LYS 19 + HE3 LYS 19 OK 88 88 100 100 2.1-4.1 3.8=100 HG2 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.1-4.1 4.0=100 HG2 LYS 19 + HE2 LYS 19 OK 79 79 100 100 2.8-3.7 3.8=100 QB ALA 15 - HE3 LYS 19 far 15 100 15 - 4.1-12.5 QB ALA 15 - HE2 LYS 19 far 14 94 15 - 3.9-11.9 QB ALA 29 - HE2 LYS 26 far 10 100 10 - 3.3-7.6 QB ALA 29 - HE3 LYS 26 far 10 100 10 - 4.1-8.3 QB ALA 12 - HE3 LYS 31 far 4 78 5 - 3.6-33.9 QB ALA 12 - HE2 LYS 31 far 4 77 5 - 4.1-33.9 QB ALA 16 - HE2 LYS 31 far 4 75 5 - 3.9-25.9 QB ALA 16 - HE2 LYS 19 lone 1 66 35 3 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 1 75 30 3 2.7-9.0 HG2 LYS 19 - HE3 LYS 31 far 0 89 0 - 4.6-26.0 QB ALA 16 - HE3 LYS 31 far 0 76 0 - 5.2-26.1 QB ALA 15 - HE3 LYS 86 far 0 96 0 - 5.8-32.2 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 88 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 98 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 100 0 - 6.1-9.5 HG3 LYS 31 - HE3 LYS 36 far 0 95 0 - 6.3-11.5 QB ALA 12 - HE2 LYS 19 far 0 69 0 - 6.4-19.1 QB ALA 12 - HE3 LYS 19 far 0 77 0 - 6.5-19.6 HG2 LYS 19 - HE3 LYS 24 far 0 84 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 88 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 81 0 - 6.8-34.9 QB ALA 29 - HE3 LYS 36 far 0 98 0 - 6.9-10.3 QB ALA 29 - HE2 LYS 36 far 0 92 0 - 7.1-9.7 HG2 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 100 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 100 0 - 7.5-22.4 QB ALA 29 - HE3 LYS 31 far 0 100 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.7-28.1 QB ALA 28 - HE2 LYS 31 far 0 100 0 - 7.8-11.0 QB ALA 28 - HE3 LYS 24 far 0 98 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 71 0 - 8.0-15.1 QB ALA 28 - HE3 LYS 31 far 0 100 0 - 8.0-11.2 QB ALA 12 - HE3 LYS 86 far 0 71 0 - 8.1-32.9 HG3 LYS 31 - HE2 LYS 24 far 0 83 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 100 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 100 0 - 8.3-23.7 HG3 LYS 26 - HE3 LYS 31 far 0 100 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 90 0 - 8.6-26.5 HG2 LYS 24 - HE3 LYS 26 far 0 100 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 89 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 87 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 100 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 89 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 94 0 - 9.1-20.4 QB ALA 16 - HE2 LYS 24 far 0 59 0 - 9.1-18.0 QB ALA 15 - HE2 LYS 31 far 0 100 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.3-15.5 QB ALA 12 - HE2 LYS 36 far 0 66 0 - 9.4-36.4 QB ALA 16 - HE3 LYS 86 far 0 68 0 - 9.6-34.1 HG2 LYS 36 - HE2 LYS 31 far 0 100 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 100 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 94 0 - 9.7-15.4 QB ALA 12 - HE3 LYS 36 far 0 74 0 - 9.7-37.6 HG3 LYS 26 - HE3 LYS 19 far 0 100 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 95 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 100 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 98 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 87 0 - 9.9-12.6 HG2 LYS 24 - HE3 LYS 31 far 0 100 0 - 10.0-22.2 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 74 assignments used, quality = 1.00: * HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 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 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 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 2.3-3.0 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 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 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 2.2-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.8-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.5-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.3-3.0 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 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.4-3.0 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 100 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 100 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 94 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 97 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 94 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 97 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 97 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 68 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 92 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 96 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 92 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 97 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 97 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 90 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 68 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 93 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 90 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 93 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 97 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 75 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 80 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 66 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 80 0 - 9.9-17.4 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 74 assignments used, quality = 1.00: * HD3 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 2.3-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 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 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + 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 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 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 2.2-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.8-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 92 92 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 92 92 100 100 2.5-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 90 90 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 90 90 100 100 2.3-3.0 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 HD3 LYS 36 + HE2 LYS 36 OK 84 84 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 84 84 100 100 2.4-3.0 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 100 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 100 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 94 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 96 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 94 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 98 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 95 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 98 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 97 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 73 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 91 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 96 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 95 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 92 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 96 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 95 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 96 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 92 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 73 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 95 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 96 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 92 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 95 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 96 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 80 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 83 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 71 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 83 0 - 9.9-17.4 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): 13 out of 96 assignments used, quality = 1.00: HA LYS 31 + HE3 LYS 31 OK 98 99 100 99 2.0-5.9 6.5=63, 822/3.7=36...(27) HA LYS 31 + HE2 LYS 31 OK 97 98 100 99 2.1-5.2 6.5=63, 822/3.7=36...(27) * HA LYS 26 + HE3 LYS 26 OK 93 100 95 98 3.0-6.3 6.6=60, 627/3.6=31...(22) HA LYS 19 + HE3 LYS 19 OK 89 100 90 99 4.9-6.3 6.4=66, 271/3.8=32...(35) HA LYS 19 + HE2 LYS 19 OK 88 94 95 99 5.1-6.2 6.4=66, 271/3.8=32...(35) HA LYS 36 + HE3 LYS 36 OK 77 97 80 100 5.0-6.5 6.0=81, 3.0/1064=42...(23) HA THR 25 + HE3 LYS 26 OK 73 78 100 93 3.5-5.7 11150/3.6=60, 9587=57...(7) HA LYS 26 + HE2 LYS 26 OK 69 100 70 98 3.7-6.4 6.6=60, 627/3.6=31...(23) HA PHE 87 + HE3 LYS 86 OK 64 95 70 96 4.1-7.3 4.9/2704=67...(10) HA LYS 36 + HE2 LYS 36 OK 45 90 50 100 5.2-6.5 6.0=81, 3.0/1064=41...(23) HA THR 25 + HE2 LYS 26 OK 43 78 60 92 4.4-6.6 11150/3.6=60...(7) HA LEU 22 + HE3 LYS 24 OK 36 98 70 52 3.2-7.5 11967/4.0=17...(8) HA LEU 22 + HE2 LYS 24 OK 29 87 70 48 2.6-9.0 11967/4.0=17, 282/4.0=10...(8) HA ALA 21 - HE3 LYS 24 poor 19 76 25 - 3.4-10.6 HA THR 18 - HE3 LYS 19 poor 19 75 25 - 5.2-8.0 HA GLN 27 - HE2 LYS 26 poor 18 71 25 - 2.1-8.9 HA ALA 15 - HE2 LYS 19 poor 16 81 20 - 3.3-12.8 HA ALA 21 - HE2 LYS 24 poor 16 64 25 - 4.2-11.2 HA GLN 27 - HE3 LYS 26 poor 14 71 35 58 2.9-8.6 ~6266=23, ~6267=23...(10) HA ARG 23 - HE2 LYS 24 poor 14 71 20 - 5.3-8.2 HA ARG 23 - HE3 LYS 26 far 13 89 15 - 5.5-9.8 HA ALA 15 - HE3 LYS 19 far 9 89 10 - 4.2-13.5 HA THR 18 - HE2 LYS 19 far 7 66 10 - 5.5-8.1 HA LYS 36 - HE2 LYS 26 far 5 99 5 - 4.3-11.5 HA LYS 36 - HE3 LYS 26 far 5 99 5 - 5.8-13.1 HA LYS 19 - HE3 LYS 24 far 5 98 5 - 5.0-13.6 HA ALA 12 - HE3 LYS 31 far 5 90 5 - 6.1-40.4 HA ARG 23 - HE3 LYS 31 far 4 89 5 - 5.8-19.4 HA ARG 23 - HE2 LYS 31 far 4 88 5 - 5.0-20.1 HA LYS 19 - HE2 LYS 24 far 4 87 5 - 5.8-13.5 HA ARG 23 - HE3 LYS 24 far 4 84 5 - 4.4-8.2 HA ALA 12 - HE2 LYS 19 far 4 81 5 - 6.0-22.2 HA SER 74 - HE3 LYS 19 far 4 77 5 - 5.2-36.6 HA ALA 16 - HE3 LYS 19 lone 4 98 45 8 2.8-10.3 7131/7.3=1, 11966/10705=1 HA ALA 21 - HE3 LYS 86 far 4 73 5 - 6.1-29.7 HA SER 74 - HE2 LYS 19 far 3 69 5 - 5.8-36.2 HA ALA 16 - HE2 LYS 19 lone 3 92 40 8 2.4-9.8 11966/10705=2, 7131/7.3=1 HA LYS 19 - HE3 LYS 31 far 0 100 0 - 6.3-26.2 HA LYS 31 - HE2 LYS 26 far 0 99 0 - 6.4-11.5 HA THR 25 - HE2 LYS 24 far 0 62 0 - 6.4-9.3 HA LEU 22 - HE3 LYS 26 far 0 100 0 - 6.5-14.0 HA ARG 23 - HE2 LYS 26 far 0 89 0 - 6.5-11.3 HA ALA 12 - HE3 LYS 19 far 0 89 0 - 6.5-22.7 HA ARG 84 - HE3 LYS 86 far 0 73 0 - 6.6-8.1 HA THR 25 - HE3 LYS 24 far 0 74 0 - 6.6-9.1 HA THR 18 - HE3 LYS 24 far 0 72 0 - 6.6-13.8 HA LYS 31 - HE3 LYS 26 far 0 99 0 - 6.8-12.3 HA ALA 16 - HE2 LYS 31 far 0 98 0 - 6.9-30.4 HA LEU 22 - HE2 LYS 26 far 0 100 0 - 6.9-15.6 HA ALA 12 - HE2 LYS 31 far 0 89 0 - 7.0-40.4 HA LYS 19 - HE2 LYS 31 far 0 100 0 - 7.1-26.6 HA ALA 21 - HE3 LYS 31 far 0 81 0 - 7.2-25.5 HA PHE 87 - HE3 LYS 19 far 0 99 0 - 7.2-42.2 HA LYS 31 - HE3 LYS 36 far 0 96 0 - 7.4-9.6 HA LYS 26 - HE3 LYS 31 far 0 100 0 - 7.5-15.0 HA SER 74 - HE3 LYS 86 far 0 71 0 - 7.5-9.7 HA THR 18 - HE2 LYS 24 far 0 59 0 - 7.6-15.0 HA LYS 31 - HE2 LYS 36 far 0 89 0 - 7.6-9.8 HA ALA 21 - HE3 LYS 19 far 0 80 0 - 7.6-10.3 HA LEU 22 - HE3 LYS 86 far 0 96 0 - 7.9-26.6 HA THR 18 - HE3 LYS 86 far 0 68 0 - 7.9-33.5 HA ALA 12 - HE3 LYS 86 far 0 83 0 - 8.1-39.4 HA THR 18 - HE3 LYS 26 far 0 76 0 - 8.2-19.3 HA LYS 26 - HE2 LYS 31 far 0 100 0 - 8.2-15.4 HA ALA 21 - HE2 LYS 31 far 0 80 0 - 8.2-26.1 HA THR 18 - HE3 LYS 31 far 0 76 0 - 8.3-28.4 HA ALA 16 - HE3 LYS 31 far 0 99 0 - 8.4-30.7 HA ALA 21 - HE3 LYS 26 far 0 81 0 - 8.4-15.9 HA ALA 15 - HE3 LYS 86 far 0 83 0 - 8.5-39.8 HA PHE 87 - HE2 LYS 19 far 0 93 0 - 8.5-42.1 HA LYS 26 - HE3 LYS 24 far 0 98 0 - 8.6-11.9 HA ALA 21 - HE2 LYS 19 far 0 71 0 - 8.7-10.4 HA LYS 31 - HE3 LYS 19 far 0 98 0 - 8.7-28.4 HA THR 25 - HE2 LYS 19 far 0 69 0 - 8.8-18.5 HA GLN 27 - HE2 LYS 19 far 0 62 0 - 8.8-22.4 HA THR 25 - HE3 LYS 19 far 0 77 0 - 8.8-18.9 HA THR 18 - HE2 LYS 26 far 0 76 0 - 9.0-20.9 HA ALA 21 - HE2 LYS 26 far 0 81 0 - 9.0-17.3 HA ALA 15 - HE2 LYS 31 far 0 89 0 - 9.0-31.5 HA LEU 22 - HE3 LYS 31 far 0 100 0 - 9.0-24.6 HA ARG 23 - HE3 LYS 19 far 0 88 0 - 9.0-13.3 HA LEU 22 - HE2 LYS 31 far 0 100 0 - 9.1-24.1 HA ARG 23 - HE2 LYS 19 far 0 79 0 - 9.2-14.1 HA LYS 26 - HE2 LYS 24 far 0 87 0 - 9.3-11.8 HA LYS 19 - HE3 LYS 86 far 0 95 0 - 9.3-33.7 HA ALA 16 - HE3 LYS 86 far 0 93 0 - 9.5-38.9 HA LEU 22 - HE3 LYS 19 far 0 100 0 - 9.5-13.0 HA LYS 19 - HE3 LYS 26 far 0 100 0 - 9.6-19.2 HA SER 74 - HE3 LYS 24 far 0 74 0 - 9.6-24.1 HA LYS 26 - HE2 LYS 19 far 0 94 0 - 9.6-18.3 HA ARG 84 - HE3 LYS 19 far 0 80 0 - 9.7-44.8 HA THR 18 - HE2 LYS 31 far 0 75 0 - 9.7-28.5 HA LEU 22 - HE2 LYS 19 far 0 94 0 - 9.9-12.7 HA SER 74 - HE3 LYS 26 far 0 78 0 - 9.9-17.7 HA ARG 84 - HE2 LYS 19 far 0 71 0 - 9.9-44.9 HA LYS 31 - HE2 LYS 19 far 0 91 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 683 from cnoeabs.peaks (1.75, 2.97, 41.80 ppm; 4.55 A): 10 out of 44 assignments used, quality = 1.00: * HB2 LYS 26 + HE3 LYS 26 OK 99 100 100 99 3.5-5.0 4.8=85, 6250/7.1=27...(57) HB2 LYS 19 + HE3 LYS 19 OK 99 100 100 99 2.5-4.5 5.1=72, 6149/7.3=24...(64) HB2 LYS 31 + HE3 LYS 31 OK 98 99 100 99 3.0-5.1 4.8=83, 6331/7.1=26...(56) HB2 LYS 19 + HE2 LYS 19 OK 93 94 100 99 2.9-4.6 5.1=72, 6149/7.3=24...(64) HB2 LYS 24 + HE3 LYS 24 OK 91 98 95 98 2.2-5.4 5.1=72, 6220/7.4=23...(30) HB2 LYS 31 + HE2 LYS 31 OK 83 98 85 99 2.4-5.5 4.8=83, 6331/7.1=26...(56) HB2 LYS 24 + HE2 LYS 24 OK 81 86 95 98 3.6-5.5 5.1=72, 6220/7.4=23...(30) HB2 LYS 26 + HE2 LYS 26 OK 55 100 55 99 4.2-5.5 4.8=85, 6250/7.1=27...(58) HG3 ARG 90 + HE3 LYS 86 OK 36 79 60 76 3.7-8.7 9651/9655=50...(5) HB ILE 80 + HE3 LYS 86 OK 26 87 30 100 2.0-5.4 ~11777=49, ~11877=48...(20) HB2 LYS 31 - HE3 LYS 26 far 10 99 10 - 4.4-12.1 HB2 LYS 31 - HE2 LYS 26 far 10 99 10 - 4.9-11.4 HB2 ARG 23 - HE3 LYS 31 far 5 100 5 - 4.8-21.0 HB2 ARG 23 - HE2 LYS 31 far 5 99 5 - 4.8-21.9 HG3 ARG 90 - HE3 LYS 19 far 4 86 5 - 4.1-39.0 HG3 ARG 90 - HE2 LYS 19 far 4 77 5 - 4.9-38.8 HB2 ARG 23 - HE3 LYS 26 far 0 100 0 - 5.2-11.7 HB2 ARG 23 - HE2 LYS 26 far 0 100 0 - 5.5-13.0 HB2 ARG 23 - HE2 LYS 24 far 0 86 0 - 5.6-10.2 HB2 ARG 23 - HE3 LYS 24 far 0 97 0 - 6.2-9.9 HB2 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.4-27.0 HB ILE 80 - HE3 LYS 19 far 0 94 0 - 6.5-38.3 HB2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.6-15.7 HB2 LYS 19 - HE3 LYS 24 far 0 98 0 - 6.8-15.7 HB2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.8-15.8 HB2 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.3-27.4 HB2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.4-9.9 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 7.5-17.7 HB2 LYS 19 - HE2 LYS 24 far 0 87 0 - 7.8-15.4 HB2 LYS 24 - HE2 LYS 19 far 0 94 0 - 7.8-17.5 HB2 LYS 31 - HE3 LYS 19 far 0 98 0 - 7.9-25.8 HB2 ARG 23 - HE3 LYS 19 far 0 99 0 - 7.9-12.3 HB2 ARG 23 - HE3 LYS 86 far 0 95 0 - 8.0-27.8 HB ILE 80 - HE2 LYS 19 far 0 85 0 - 8.2-38.1 HB2 LYS 19 - HE3 LYS 86 far 0 96 0 - 8.3-35.8 HB2 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-10.9 HB2 LYS 31 - HE2 LYS 24 far 0 84 0 - 8.4-21.1 HB2 LYS 31 - HE2 LYS 19 far 0 92 0 - 8.4-24.2 HB2 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.4-11.9 HB2 ARG 23 - HE2 LYS 19 far 0 93 0 - 8.5-13.2 HB2 LYS 19 - HE3 LYS 26 far 0 100 0 - 8.5-20.9 HB2 LYS 31 - HE2 LYS 36 far 0 89 0 - 8.8-11.9 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.3-21.9 HB2 LYS 31 - HE3 LYS 24 far 0 96 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 684 from cnoeabs.peaks (1.82, 2.97, 41.80 ppm; 5.18 A): 12 out of 63 assignments used, quality = 1.00: HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 3.6-5.0 4.8=100 * HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.7-4.6 4.8=100 HB3 LYS 31 + HE3 LYS 31 OK 99 99 100 100 2.2-5.0 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.0-5.3 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 3.2-5.4 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.8-4.2 4.9=100 HB3 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.4-4.6 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 92 92 100 100 3.5-4.5 4.9=100 HB3 LYS 19 + HE2 LYS 19 OK 92 92 100 100 3.3-5.4 5.1=100 HB3 LYS 24 + HE2 LYS 24 OK 86 86 100 100 2.0-5.0 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 66 66 100 100 1.8-3.6 4.9=100 HB ILE 32 + HE2 LYS 26 OK 65 100 65 100 4.9-6.6 2.1/10766=77...(43) HB3 ARG 23 - HE2 LYS 26 far 10 100 10 - 4.6-12.5 HB ILE 32 - HE3 LYS 26 far 5 100 5 - 4.6-7.5 HB3 ARG 23 - HE3 LYS 26 far 5 100 5 - 3.7-11.8 HB2 LYS 36 - HE2 LYS 26 far 5 100 5 - 5.4-11.8 HB3 LYS 19 - HE3 LYS 31 far 5 99 5 - 4.9-25.2 HB3 LYS 19 - HE2 LYS 31 far 5 98 5 - 5.6-25.7 HB3 LYS 19 - HE3 LYS 24 far 5 96 5 - 5.6-14.9 HB3 ARG 23 - HE2 LYS 24 far 4 86 5 - 4.7-9.9 HB3 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.0-13.3 HB3 ARG 23 - HE3 LYS 24 far 0 98 0 - 6.1-9.9 HB3 ARG 23 - HE2 LYS 31 far 0 99 0 - 6.2-23.1 HB ILE 32 - HE2 LYS 31 far 0 100 0 - 6.3-10.3 HB3 LYS 31 - HE2 LYS 26 far 0 99 0 - 6.3-12.4 HB3 ARG 23 - HE3 LYS 31 far 0 100 0 - 6.4-22.1 HB3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-14.0 HB3 LYS 19 - HE2 LYS 24 far 0 84 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 75 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 91 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 98 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 93 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 100 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 72 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 100 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 97 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 99 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 92 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 90 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 99 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 98 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 92 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 82 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 64 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 100 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 92 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 83 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 95 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 99 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 96 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 93 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 99 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 84 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 83 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 89 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 93 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 96 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 73 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 78 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 685 from cnoeabs.peaks (1.43, 2.97, 41.80 ppm; 3.96 A): 10 out of 56 assignments used, quality = 1.00: * HG2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.8 3.6=100 HG2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.7-4.1 3.6=100 HG2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.2 3.7=100 HG2 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.1-4.0 3.7=100 HG3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.2-3.7 3.8=100 HG3 LYS 24 + HE3 LYS 24 OK 90 91 100 99 2.3-3.9 4.0=98, 484/6.4=22...(17) HG2 LYS 86 + HE3 LYS 86 OK 89 89 100 100 2.5-3.7 3.7=100 HG3 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.1-3.9 3.8=100 HG3 LYS 24 + HE2 LYS 24 OK 77 78 100 99 2.3-4.0 4.0=98, 484/6.4=22...(17) HG13 ILE 32 + HE2 LYS 26 OK 24 99 25 98 3.5-6.7 3.2/10766=45...(40) QB ALA 16 - HE2 LYS 19 poor 19 54 35 - 2.2-8.0 QB ALA 16 - HE3 LYS 19 poor 19 62 30 - 2.7-9.0 QB ALA 34 - HE3 LYS 26 far 9 93 10 - 4.0-7.8 QB ALA 34 - HE2 LYS 26 poor 7 93 35 23 3.1-7.1 908/10766=19, 6364/876=3 HG13 ILE 32 - HE3 LYS 26 far 5 99 5 - 4.5-7.4 HG3 LYS 19 - HE3 LYS 31 far 5 97 5 - 4.4-25.7 QB ALA 16 - HE2 LYS 31 far 3 62 5 - 3.9-25.9 QB ALA 16 - HE3 LYS 31 far 0 63 0 - 5.2-26.1 HG3 LYS 19 - HE2 LYS 31 far 0 96 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 90 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 98 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.5-13.4 HG2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.6-15.6 HG13 ILE 32 - HE2 LYS 31 far 0 99 0 - 6.7-10.1 HG2 LYS 86 - HE3 LYS 19 far 0 95 0 - 6.8-38.5 HG13 ILE 32 - HE3 LYS 31 far 0 99 0 - 6.9-10.1 HG2 LYS 26 - HE3 LYS 31 far 0 100 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 93 0 - 7.0-15.8 QB ALA 34 - HE2 LYS 19 far 0 84 0 - 7.3-24.1 HG3 LYS 19 - HE3 LYS 26 far 0 97 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 95 0 - 7.4-12.4 QB ALA 34 - HE2 LYS 31 far 0 92 0 - 7.5-11.5 HG3 LYS 19 - HE2 LYS 26 far 0 97 0 - 7.6-21.0 QB ALA 34 - HE3 LYS 36 far 0 89 0 - 7.6-8.5 HG2 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.7-26.4 QB ALA 34 - HE2 LYS 36 far 0 82 0 - 7.9-8.4 HG2 LYS 31 - HE2 LYS 36 far 0 88 0 - 8.0-11.8 QB ALA 34 - HE3 LYS 31 far 0 93 0 - 8.0-12.3 HG2 LYS 86 - HE2 LYS 19 far 0 87 0 - 8.4-38.3 HG2 LYS 31 - HE2 LYS 19 far 0 90 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 80 0 - 8.4-15.9 QB ALA 34 - HE3 LYS 19 far 0 92 0 - 8.5-24.4 HG3 LYS 24 - HE3 LYS 19 far 0 94 0 - 8.6-17.0 QB ALA 34 - HE3 LYS 86 far 0 86 0 - 8.7-11.0 HG2 LYS 31 - HE2 LYS 24 far 0 83 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 97 0 - 9.0-11.0 QB ALA 16 - HE2 LYS 24 far 0 48 0 - 9.1-18.0 HG3 LYS 24 - HE2 LYS 19 far 0 85 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 95 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 90 0 - 9.4-11.1 QB ALA 92 - HE3 LYS 86 far 0 95 0 - 9.6-11.3 QB ALA 16 - HE3 LYS 86 far 0 56 0 - 9.6-34.1 HG3 LYS 24 - HE2 LYS 26 far 0 95 0 - 9.7-13.1 HG3 LYS 24 - HE3 LYS 86 far 0 87 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.8-14.5 QB ALA 34 - HE3 LYS 24 far 0 89 0 - 9.9-15.9 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 72 assignments used, quality = 1.00: * HG3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-3.4 3.6=100 HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.3-3.8 3.6=100 HG3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.0 3.7=100 HG2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 98 98 100 100 3.1-4.2 4.0=99, 3.0/1064=25...(20) HG3 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.1-4.2 3.7=100 HG2 LYS 36 + HE2 LYS 36 OK 92 92 100 100 3.1-4.1 4.0=99, 3.0/1064=25...(21) HG2 LYS 19 + HE3 LYS 19 OK 88 88 100 100 2.1-4.1 3.8=100 HG2 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.1-4.1 4.0=100 HG2 LYS 19 + HE2 LYS 19 OK 79 79 100 100 2.8-3.7 3.8=100 QB ALA 15 - HE3 LYS 19 far 15 100 15 - 4.1-12.5 QB ALA 15 - HE2 LYS 19 far 14 94 15 - 3.9-11.9 QB ALA 29 - HE2 LYS 26 far 10 100 10 - 3.3-7.6 QB ALA 29 - HE3 LYS 26 far 10 100 10 - 4.1-8.3 QB ALA 12 - HE3 LYS 31 far 4 78 5 - 3.6-33.9 QB ALA 12 - HE2 LYS 31 far 4 77 5 - 4.1-33.9 QB ALA 16 - HE2 LYS 31 far 4 75 5 - 3.9-25.9 QB ALA 16 - HE2 LYS 19 lone 1 66 35 3 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 1 75 30 3 2.7-9.0 HG2 LYS 19 - HE3 LYS 31 far 0 89 0 - 4.6-26.0 QB ALA 16 - HE3 LYS 31 far 0 76 0 - 5.2-26.1 QB ALA 15 - HE3 LYS 86 far 0 96 0 - 5.8-32.2 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 88 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 98 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 100 0 - 6.1-9.5 HG3 LYS 31 - HE3 LYS 36 far 0 95 0 - 6.3-11.5 QB ALA 12 - HE2 LYS 19 far 0 69 0 - 6.4-19.1 QB ALA 12 - HE3 LYS 19 far 0 77 0 - 6.5-19.6 HG2 LYS 19 - HE3 LYS 24 far 0 84 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 88 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 81 0 - 6.8-34.9 QB ALA 29 - HE3 LYS 36 far 0 98 0 - 6.9-10.3 QB ALA 29 - HE2 LYS 36 far 0 92 0 - 7.1-9.7 HG2 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 100 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 100 0 - 7.5-22.4 QB ALA 29 - HE3 LYS 31 far 0 100 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.7-28.1 QB ALA 28 - HE2 LYS 31 far 0 100 0 - 7.8-11.0 QB ALA 28 - HE3 LYS 24 far 0 98 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 71 0 - 8.0-15.1 QB ALA 28 - HE3 LYS 31 far 0 100 0 - 8.0-11.2 QB ALA 12 - HE3 LYS 86 far 0 71 0 - 8.1-32.9 HG3 LYS 31 - HE2 LYS 24 far 0 83 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 100 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 100 0 - 8.3-23.7 HG3 LYS 26 - HE3 LYS 31 far 0 100 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 90 0 - 8.6-26.5 HG2 LYS 24 - HE3 LYS 26 far 0 100 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 89 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 87 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 100 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 89 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 94 0 - 9.1-20.4 QB ALA 16 - HE2 LYS 24 far 0 59 0 - 9.1-18.0 QB ALA 15 - HE2 LYS 31 far 0 100 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.3-15.5 QB ALA 12 - HE2 LYS 36 far 0 66 0 - 9.4-36.4 QB ALA 16 - HE3 LYS 86 far 0 68 0 - 9.6-34.1 HG2 LYS 36 - HE2 LYS 31 far 0 100 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 100 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 94 0 - 9.7-15.4 QB ALA 12 - HE3 LYS 36 far 0 74 0 - 9.7-37.6 HG3 LYS 26 - HE3 LYS 19 far 0 100 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 95 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 100 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 98 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 87 0 - 9.9-12.6 HG2 LYS 24 - HE3 LYS 31 far 0 100 0 - 10.0-22.2 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 74 assignments used, quality = 1.00: HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-2.9 3.0=100 * HD2 LYS 26 + HE3 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 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 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 2.3-3.0 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 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 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 2.2-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.8-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.5-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.3-3.0 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 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.4-3.0 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 100 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 100 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 94 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 97 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 94 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 97 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 97 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 68 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 92 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 96 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 92 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 97 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 97 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 90 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 68 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 93 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 90 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 93 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 97 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 75 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 80 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 66 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 80 0 - 9.9-17.4 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 74 assignments used, quality = 1.00: HD3 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 2.3-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 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 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + 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 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 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 2.2-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.8-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 92 92 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 92 92 100 100 2.5-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 90 90 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 90 90 100 100 2.3-3.0 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 HD3 LYS 36 + HE2 LYS 36 OK 84 84 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 84 84 100 100 2.4-3.0 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 100 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 100 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 94 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 96 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 94 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 98 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 95 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 98 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 97 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 73 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 91 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 96 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 95 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 92 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 96 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 95 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 96 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 92 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 73 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 95 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 96 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 92 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 95 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 96 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 80 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 83 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 71 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 83 0 - 9.9-17.4 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 8 assignments used, quality = 1.00: * H GLN 27 + HA GLN 27 OK 100 100 100 100 2.3-2.9 3.0=100 H LYS 26 - HA GLN 27 far 0 87 0 - 4.8-5.6 H GLN 27 - HA GLU 30 far 0 41 0 - 6.5-9.1 H LYS 24 - HA GLN 27 far 0 85 0 - 7.2-10.9 H ASP 35 - HA GLN 27 far 0 100 0 - 7.3-12.2 H LYS 26 - HA GLU 30 far 0 31 0 - 7.7-12.1 H LYS 24 - HA GLU 30 far 0 30 0 - 9.5-18.5 H ASP 35 - HA GLU 30 far 0 41 0 - 9.5-11.0 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 4 assignments used, quality = 1.00: * HB2 GLN 27 + HA GLN 27 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 GLU 30 + HA GLU 30 OK 38 38 100 100 2.8-3.0 3.0=100 HB2 GLU 30 - HA GLN 27 far 0 98 0 - 4.3-7.6 HB2 GLN 27 - HA GLU 30 far 0 41 0 - 5.9-10.5 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 3 assignments used, quality = 1.00: * HB3 GLN 27 + HA GLN 27 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 GLN 27 - HA GLU 30 far 0 41 0 - 4.7-9.4 QE MET 11 - HA GLN 27 far 0 83 0 - 9.6-32.6 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 6 assignments used, quality = 1.00: * HG2 GLN 27 + HA GLN 27 OK 100 100 100 100 2.1-3.7 3.7=100 HG3 GLN 27 + HA GLN 27 OK 99 99 100 100 2.8-4.2 3.7=100 HG3 GLU 30 + HA GLU 30 OK 28 28 100 100 2.1-3.6 3.8=96, 1.8/775=61...(14) HG3 GLN 27 - HA GLU 30 far 0 40 0 - 5.1-11.3 HG3 GLU 30 - HA GLN 27 far 0 81 0 - 5.3-9.6 HG2 GLN 27 - HA GLU 30 far 0 41 0 - 6.0-10.2 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 6 assignments used, quality = 1.00: * HG3 GLN 27 + HA GLN 27 OK 100 100 100 100 2.8-4.2 3.7=100 HG2 GLN 27 + HA GLN 27 OK 99 99 100 100 2.1-3.7 3.7=100 HG3 GLU 30 + HA GLU 30 OK 21 21 100 100 2.1-3.6 3.8=96, 1.8/775=61...(14) HG3 GLN 27 - HA GLU 30 far 0 41 0 - 5.1-11.3 HG3 GLU 30 - HA GLN 27 far 0 65 0 - 5.3-9.6 HG2 GLN 27 - HA GLU 30 far 0 40 0 - 6.0-10.2 Violated in 0 structures by 0.00 A. Peak 700 from cnoeabs.peaks (8.33, 4.24, 56.10 ppm; 3.58 A increased from 2.86 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 28 + HA GLN 27 OK 100 100 100 100 2.8-3.6 3.6=100 H ALA 28 - HA GLU 30 far 0 41 0 - 5.1-7.5 H ALA 21 - HA GLN 27 far 0 85 0 - 8.6-17.3 Violated in 0 structures by 0.00 A. Peak 701 from cnoeabs.peaks (8.39, 1.96, 29.32 ppm; 3.57 A increased from 3.17 A): 1 out of 7 assignments used, quality = 1.00: * H GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.2-4.1 6271=100, 710/1.8=73...(11) H GLN 27 - HB2 GLU 30 far 0 84 0 - 4.3-7.0 H LYS 26 - HB2 GLN 27 far 0 87 0 - 4.7-6.9 H LYS 24 - HB2 GLN 27 far 0 85 0 - 4.8-12.3 H LYS 26 - HB2 GLU 30 far 0 67 0 - 4.9-11.0 H LYS 24 - HB2 GLU 30 far 0 65 0 - 7.1-16.7 H ASP 35 - HB2 GLN 27 far 0 100 0 - 9.2-12.7 Violated in 3 structures by 0.05 A. Peak 702 from cnoeabs.peaks (4.24, 1.96, 29.32 ppm; 3.30 A): 2 out of 14 assignments used, quality = 1.00: * HA GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.2-2.9 3.0=100 HA GLU 30 + HB2 GLU 30 OK 67 67 100 100 2.8-3.0 3.0=100 HA LEU 22 - HB2 GLN 27 far 4 73 5 - 3.0-16.2 HA LYS 26 - HB2 GLU 30 far 3 53 5 - 2.2-9.7 HA LYS 26 - HB2 GLN 27 far 0 71 0 - 4.1-6.0 HA GLN 27 - HB2 GLU 30 far 0 84 0 - 4.3-7.6 HA ALA 28 - HB2 GLN 27 far 0 99 0 - 4.7-6.4 HA ALA 28 - HB2 GLU 30 far 0 82 0 - 4.9-5.7 HA ALA 29 - HB2 GLU 30 far 0 72 0 - 4.9-5.3 HA GLU 30 - HB2 GLN 27 far 0 87 0 - 5.9-10.5 HA ALA 29 - HB2 GLN 27 far 0 92 0 - 6.8-8.5 HA LEU 22 - HB2 GLU 30 far 0 55 0 - 7.6-20.8 HA LYS 19 - HB2 GLN 27 far 0 76 0 - 7.9-19.6 HA LYS 19 - HB2 GLU 30 far 0 57 0 - 9.4-23.8 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 3 assignments used, quality = 1.00: * HB3 GLN 27 + HB2 GLN 27 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 27 - HB2 GLU 30 far 8 84 10 - 2.0-7.4 QE MET 11 - HB2 GLN 27 far 0 83 0 - 8.1-33.0 Violated in 0 structures by 0.00 A. Peak 705 from cnoeabs.peaks (2.35, 1.96, 29.32 ppm; 3.69 A): 4 out of 6 assignments used, quality = 1.00: * HG2 GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 27 + HB2 GLN 27 OK 99 99 100 100 2.3-3.0 3.0=100 HG3 GLU 30 + HB2 GLU 30 OK 61 61 100 100 2.2-2.8 3.0=100 HG3 GLN 27 + HB2 GLU 30 OK 22 82 55 48 3.1-9.2 10724/10791=18...(9) HG2 GLN 27 - HB2 GLU 30 poor 13 84 30 53 3.7-8.2 10763/10791=17...(9) HG3 GLU 30 - HB2 GLN 27 far 4 81 5 - 4.0-9.8 Violated in 0 structures by 0.00 A. Peak 706 from cnoeabs.peaks (2.36, 1.96, 29.32 ppm; 3.66 A): 4 out of 6 assignments used, quality = 1.00: * HG3 GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 27 + HB2 GLN 27 OK 99 99 100 100 2.3-3.0 3.0=100 HG3 GLU 30 + HB2 GLU 30 OK 48 48 100 100 2.2-2.8 3.0=100 HG3 GLN 27 + HB2 GLU 30 OK 22 84 55 47 3.1-9.2 10724/10791=17...(9) HG2 GLN 27 - HB2 GLU 30 poor 13 82 30 52 3.7-8.2 10763/10791=17...(9) HG3 GLU 30 - HB2 GLN 27 far 3 65 5 - 4.0-9.8 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 4 assignments used, quality = 1.00: * H ALA 28 + HB2 GLN 27 OK 100 100 100 100 3.1-4.6 6298/1.8=95, 4.6=90...(21) H ALA 28 + HB2 GLU 30 OK 80 84 95 100 3.0-5.1 6304/10791=74, 6297=48...(23) H ALA 21 - HB2 GLN 27 far 0 85 0 - 6.0-18.1 H LYS 19 - HB2 GLN 27 far 0 78 0 - 8.4-21.3 Violated in 0 structures by 0.00 A. Peak 710 from cnoeabs.peaks (8.39, 2.06, 29.32 ppm; 3.55 A increased from 3.34 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 27 + HB3 GLN 27 OK 100 100 100 100 3.0-4.1 6272=98, 6271/1.8=93...(9) H LYS 26 - HB3 GLN 27 far 0 87 0 - 5.5-7.3 H LYS 24 - HB3 GLN 27 far 0 85 0 - 5.6-13.0 H ASP 35 - HB3 GLN 27 far 0 100 0 - 9.8-11.9 Violated in 3 structures by 0.04 A. Peak 711 from cnoeabs.peaks (4.24, 2.06, 29.32 ppm; 3.10 A): 1 out of 7 assignments used, quality = 1.00: * HA GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.6-3.0 3.0=100 HA LEU 22 - HB3 GLN 27 far 4 73 5 - 2.6-17.2 HA ALA 28 - HB3 GLN 27 far 0 99 0 - 3.8-5.5 HA LYS 26 - HB3 GLN 27 far 0 71 0 - 4.5-6.5 HA GLU 30 - HB3 GLN 27 far 0 87 0 - 4.7-9.4 HA ALA 29 - HB3 GLN 27 far 0 92 0 - 5.6-7.2 HA LYS 19 - HB3 GLN 27 far 0 76 0 - 7.1-21.1 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 2 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 10 98 10 - 2.0-7.4 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 3 assignments used, quality = 1.00: * HG2 GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLN 27 + HB3 GLN 27 OK 99 99 100 100 2.2-3.0 3.0=100 HG3 GLU 30 - HB3 GLN 27 far 8 81 10 - 3.4-9.2 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 3 assignments used, quality = 1.00: * HG3 GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 27 + HB3 GLN 27 OK 99 99 100 100 2.4-3.0 3.0=100 HG3 GLU 30 - HB3 GLN 27 far 7 65 10 - 3.4-9.2 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 3 assignments used, quality = 1.00: * H ALA 28 + HB3 GLN 27 OK 100 100 100 100 1.6-3.9 6298=100, 6304/10762=56...(22) H ALA 21 - HB3 GLN 27 far 0 85 0 - 6.1-19.4 H LYS 19 - HB3 GLN 27 far 0 78 0 - 8.0-22.6 Violated in 0 structures by 0.00 A. Peak 719 from cnoeabs.peaks (8.39, 2.35, 33.67 ppm; 3.74 A): 2 out of 9 assignments used, quality = 0.99: * H GLN 27 + HG2 GLN 27 OK 94 100 95 99 1.8-4.6 6271/3.0=76, 710/3.0=60...(14) H GLN 27 + HG3 GLN 27 OK 88 98 90 99 1.9-4.8 6271/3.0=76, 710/3.0=60...(12) H LYS 26 - HG2 GLN 27 far 4 87 5 - 3.9-7.3 H LYS 26 - HG3 GLN 27 far 0 83 0 - 4.4-7.8 H LYS 24 - HG3 GLN 27 far 0 81 0 - 4.5-13.0 H LYS 24 - HG2 GLN 27 far 0 85 0 - 4.7-12.7 H HIS 3 - HG2 GLN 127 far 0 81 0 - 6.0-70.3 H ASP 35 - HG2 GLN 27 far 0 100 0 - 8.0-10.0 H ASP 35 - HG3 GLN 27 far 0 98 0 - 8.6-11.6 Violated in 1 structures by 0.02 A. Peak 720 from cnoeabs.peaks (4.24, 2.35, 33.67 ppm; 3.80 A increased from 3.58 A): 3 out of 17 assignments used, quality = 1.00: * HA GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.1-3.7 3.7=100 HA GLN 27 + HG3 GLN 27 OK 98 98 100 100 2.8-4.2 3.7=100 HA SER 124 + HG2 GLN 127 OK 32 85 40 94 2.7-6.0 4049/3.0=51...(11) HA LYS 26 - HG2 GLN 27 poor 18 71 25 - 3.2-6.5 HA LYS 26 - HG3 GLN 27 poor 13 67 20 - 4.0-7.5 HA ALA 29 - HG2 GLN 27 poor 13 92 25 55 3.9-7.3 ~10788=22...(8) HA ALA 29 - HG3 GLN 27 far 9 88 10 - 4.1-8.4 HA ALA 28 - HG2 GLN 27 far 5 99 5 - 4.3-6.6 HA LEU 22 - HG3 GLN 27 far 0 69 0 - 4.5-17.6 HA ALA 28 - HG3 GLN 27 far 0 97 0 - 4.6-7.1 HA GLU 30 - HG3 GLN 27 far 0 83 0 - 5.1-11.3 HA LEU 22 - HG2 GLN 27 far 0 73 0 - 5.3-16.1 HA GLU 30 - HG2 GLN 27 far 0 87 0 - 6.0-10.2 HA SER 51 - HG2 GLN 127 far 0 49 0 - 7.0-10.4 HA LYS 19 - HG3 GLN 27 far 0 72 0 - 7.1-19.2 HA LYS 19 - HG2 GLN 27 far 0 76 0 - 7.8-20.1 HA ALA 34 - HG2 GLN 27 far 0 85 0 - 10.0-12.2 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 8 assignments used, quality = 1.00: * HB2 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 27 + HG3 GLN 27 OK 98 98 100 100 2.3-3.0 3.0=100 HB2 GLU 30 - HG3 GLN 27 poor 16 95 45 37 3.1-9.2 10791/10724=12...(8) HB2 GLU 30 - HG2 GLN 27 far 15 98 15 - 3.7-8.2 HB3 LEU 53 - HG2 GLN 127 far 0 45 0 - 6.7-9.4 HG LEU 53 - HG2 GLN 127 far 0 45 0 - 6.9-9.7 HB3 LYS 95 - HG2 GLN 127 far 0 54 0 - 9.2-14.0 HB2 LYS 95 - HG2 GLN 127 far 0 47 0 - 9.3-13.3 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 8 assignments used, quality = 1.00: * HB3 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 27 + HG3 GLN 27 OK 98 98 100 100 2.2-3.0 3.0=100 HB2 GLN 127 + HG2 GLN 127 OK 85 85 100 100 2.3-2.8 3.0=100 HB2 GLU 128 - HG2 GLN 127 poor 11 64 40 42 3.0-7.2 3.6/7846=14, 3.0/4081=10...(9) QE MET 11 - HG2 GLN 27 far 0 83 0 - 7.4-32.5 QE MET 11 - HG3 GLN 27 far 0 78 0 - 8.8-32.6 HG3 GLN 134 - HG2 GLN 127 far 0 62 0 - 9.0-11.0 QE MET 11 - HG2 GLN 127 far 0 64 0 - 9.7-43.4 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 2 assignments used, quality = 1.00: * HE21 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.4-3.6 3.5=100 HE21 GLN 27 + HG3 GLN 27 OK 98 98 100 100 2.1-3.5 3.5=100 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 3 assignments used, quality = 1.00: * HE22 GLN 27 + HG2 GLN 27 OK 100 100 100 100 3.5-4.1 3.5=100 HE22 GLN 27 + HG3 GLN 27 OK 98 98 100 100 3.4-4.1 3.5=100 H THR 54 - HG2 GLN 127 far 0 73 0 - 8.4-11.0 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 8 assignments used, quality = 1.00: * H ALA 28 + HG2 GLN 27 OK 100 100 100 100 1.9-5.1 4.9=100 H ALA 28 + HG3 GLN 27 OK 98 98 100 100 1.9-5.4 4.9=100 H ALA 21 - HG3 GLN 27 far 0 81 0 - 6.7-18.3 H LEU 49 - HG2 GLN 127 far 0 56 0 - 7.2-10.0 H LYS 19 - HG3 GLN 27 far 0 74 0 - 7.6-21.0 H ALA 21 - HG2 GLN 27 far 0 85 0 - 7.7-18.4 H LYS 19 - HG2 GLN 27 far 0 78 0 - 8.7-21.7 H GLY 17 - HG3 GLN 27 far 0 96 0 - 9.5-24.6 Violated in 0 structures by 0.00 A. Peak 728 from cnoeabs.peaks (8.39, 2.36, 33.67 ppm; 3.74 A): 2 out of 9 assignments used, quality = 0.99: H GLN 27 + HG2 GLN 27 OK 92 98 95 99 1.8-4.6 6271/3.0=76, 710/3.0=60...(14) * H GLN 27 + HG3 GLN 27 OK 89 100 90 99 1.9-4.8 6271/3.0=76, 710/3.0=60...(12) H LYS 26 - HG2 GLN 27 far 4 83 5 - 3.9-7.3 H LYS 26 - HG3 GLN 27 far 0 87 0 - 4.4-7.8 H LYS 24 - HG3 GLN 27 far 0 85 0 - 4.5-13.0 H LYS 24 - HG2 GLN 27 far 0 81 0 - 4.7-12.7 H HIS 3 - HG2 GLN 127 far 0 80 0 - 6.0-70.3 H ASP 35 - HG2 GLN 27 far 0 98 0 - 8.0-10.0 H ASP 35 - HG3 GLN 27 far 0 100 0 - 8.6-11.6 Violated in 1 structures by 0.02 A. Peak 729 from cnoeabs.peaks (4.24, 2.36, 33.67 ppm; 3.80 A increased from 3.57 A): 3 out of 17 assignments used, quality = 1.00: * HA GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.8-4.2 3.7=100 HA GLN 27 + HG2 GLN 27 OK 98 98 100 100 2.1-3.7 3.7=100 HA SER 124 + HG2 GLN 127 OK 31 84 40 94 2.7-6.0 4049/3.0=51...(11) HA LYS 26 - HG2 GLN 27 poor 17 67 25 - 3.2-6.5 HA LYS 26 - HG3 GLN 27 poor 14 71 20 - 4.0-7.5 HA ALA 29 - HG2 GLN 27 poor 12 88 25 54 3.9-7.3 ~10788=22...(8) HA ALA 29 - HG3 GLN 27 far 9 92 10 - 4.1-8.4 HA ALA 28 - HG2 GLN 27 far 5 97 5 - 4.3-6.6 HA LEU 22 - HG3 GLN 27 far 0 73 0 - 4.5-17.6 HA ALA 28 - HG3 GLN 27 far 0 99 0 - 4.6-7.1 HA GLU 30 - HG3 GLN 27 far 0 87 0 - 5.1-11.3 HA LEU 22 - HG2 GLN 27 far 0 69 0 - 5.3-16.1 HA GLU 30 - HG2 GLN 27 far 0 83 0 - 6.0-10.2 HA SER 51 - HG2 GLN 127 far 0 48 0 - 7.0-10.4 HA LYS 19 - HG3 GLN 27 far 0 76 0 - 7.1-19.2 HA LYS 19 - HG2 GLN 27 far 0 72 0 - 7.8-20.1 HA ALA 34 - HG2 GLN 27 far 0 81 0 - 10.0-12.2 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 8 assignments used, quality = 1.00: * HB2 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 27 + HG2 GLN 27 OK 98 98 100 100 2.3-3.0 3.0=100 HB2 GLU 30 - HG3 GLN 27 poor 16 98 45 36 3.1-9.2 10791/10724=12...(8) HB2 GLU 30 - HG2 GLN 27 far 14 95 15 - 3.7-8.2 HB3 LEU 53 - HG2 GLN 127 far 0 44 0 - 6.7-9.4 HG LEU 53 - HG2 GLN 127 far 0 44 0 - 6.9-9.7 HB3 LYS 95 - HG2 GLN 127 far 0 53 0 - 9.2-14.0 HB2 LYS 95 - HG2 GLN 127 far 0 46 0 - 9.3-13.3 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 8 assignments used, quality = 1.00: * HB3 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 27 + HG2 GLN 27 OK 98 98 100 100 2.4-3.0 3.0=100 HB2 GLN 127 + HG2 GLN 127 OK 83 83 100 100 2.3-2.8 3.0=100 HB2 GLU 128 - HG2 GLN 127 poor 11 63 40 42 3.0-7.2 3.6/7846=14, 3.0/4081=10...(9) QE MET 11 - HG2 GLN 27 far 0 78 0 - 7.4-32.5 QE MET 11 - HG3 GLN 27 far 0 83 0 - 8.8-32.6 HG3 GLN 134 - HG2 GLN 127 far 0 61 0 - 9.0-11.0 QE MET 11 - HG2 GLN 127 far 0 63 0 - 9.7-43.4 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 2 assignments used, quality = 1.00: * HE21 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.1-3.5 3.5=100 HE21 GLN 27 + HG2 GLN 27 OK 98 98 100 100 2.4-3.6 3.5=100 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 3 assignments used, quality = 1.00: * HE22 GLN 27 + HG3 GLN 27 OK 100 100 100 100 3.4-4.1 3.5=100 HE22 GLN 27 + HG2 GLN 27 OK 98 98 100 100 3.5-4.1 3.5=100 H THR 54 - HG2 GLN 127 far 0 72 0 - 8.4-11.0 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 8 assignments used, quality = 1.00: * H ALA 28 + HG3 GLN 27 OK 100 100 100 100 1.9-5.4 4.9=100 H ALA 28 + HG2 GLN 27 OK 98 98 100 100 1.9-5.1 4.9=100 H ALA 21 - HG3 GLN 27 far 0 85 0 - 6.7-18.3 H LEU 49 - HG2 GLN 127 far 0 55 0 - 7.2-10.0 H LYS 19 - HG3 GLN 27 far 0 78 0 - 7.6-21.0 H ALA 21 - HG2 GLN 27 far 0 81 0 - 7.7-18.4 H LYS 19 - HG2 GLN 27 far 0 74 0 - 8.7-21.7 H GLY 17 - HG3 GLN 27 far 0 99 0 - 9.5-24.6 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 3 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 57 93 65 95 4.0-6.0 4.6/6325=36...(19) H ALA 21 - HA ALA 28 far 0 85 0 - 8.5-20.4 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): 2 out of 9 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 far 0 100 0 - 3.7-4.3 QB ALA 28 - HA ALA 29 far 0 93 0 - 4.1-5.1 HG3 LYS 26 - HA ALA 29 far 0 93 0 - 5.0-8.0 HG3 LYS 26 - HA ALA 28 far 0 100 0 - 5.4-8.4 HG3 LYS 31 - HA ALA 29 far 0 90 0 - 7.7-9.0 HG2 LYS 24 - HA ALA 28 far 0 100 0 - 9.0-15.1 HG2 LYS 36 - HA ALA 29 far 0 92 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 740 from cnoeabs.peaks (8.25, 4.24, 52.47 ppm; 2.92 A): 3 out of 9 assignments used, quality = 0.99: H ALA 29 + HA ALA 29 OK 92 93 100 99 2.3-2.9 2.9=99, 4.6/6315=10...(12) * H ALA 29 + HA ALA 28 OK 73 100 100 73 2.1-3.2 3.6=55, 6309/2.1=23...(8) H GLU 30 + HA ALA 29 OK 67 83 100 81 2.9-3.5 3.6=55, 6316/2.1=23...(13) H GLU 30 - HA ALA 28 far 0 93 0 - 3.8-4.3 H LYS 31 - HA ALA 29 far 0 81 0 - 4.6-5.1 H SER 33 - HA ALA 29 far 0 80 0 - 5.4-6.0 H LYS 31 - HA ALA 28 far 0 92 0 - 6.2-7.6 H ARG 23 - HA ALA 28 far 0 100 0 - 6.3-16.5 H SER 33 - HA ALA 28 far 0 90 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 741 from cnoeabs.peaks (8.33, 1.38, 19.08 ppm; 2.79 A): 3 out of 16 assignments used, quality = 1.00: * H ALA 28 + QB ALA 28 OK 100 100 100 100 2.1-3.1 6304=100, 6298/10762=19...(11) H ALA 110 + QB ALA 110 OK 59 66 100 90 2.0-2.9 2.9=86, 360/2.1=9...(6) H GLY 111 + QB ALA 109 OK 30 46 100 64 2.0-3.3 7578=26, 3.0/10117=16...(9) H ALA 110 - QB ALA 109 poor 16 42 65 59 2.4-3.5 3.7=42, 7570/2.1=13...(6) H GLY 17 - QB ALA 15 far 15 99 15 - 2.3-5.8 H GLY 111 - QB ALA 110 poor 14 71 20 - 2.8-3.7 H ALA 28 - QB ALA 29 far 0 100 0 - 4.3-5.9 H ALA 110 - QB ALA 108 far 0 66 0 - 4.4-5.6 H TYR 72 - QB ALA 15 far 0 99 0 - 4.8-30.8 H LYS 19 - QB ALA 15 far 0 77 0 - 4.9-10.3 H GLY 111 - QB ALA 108 far 0 71 0 - 6.4-7.2 H ALA 21 - QB ALA 15 far 0 84 0 - 6.4-11.1 H LEU 69 - QB ALA 15 far 0 62 0 - 6.9-33.9 H LYS 86 - QB ALA 15 far 0 94 0 - 7.3-35.9 H ALA 21 - QB ALA 28 far 0 85 0 - 7.3-18.4 H LYS 19 - QB ALA 28 far 0 78 0 - 10.0-21.3 Violated in 0 structures by 0.00 A. Peak 742 from cnoeabs.peaks (4.24, 1.38, 19.08 ppm; 2.50 A): 2 out of 17 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 far 0 100 0 - 3.7-4.3 HA GLN 27 - QB ALA 28 far 0 99 0 - 3.7-5.0 HA GLU 30 - QB ALA 29 far 0 95 0 - 3.8-4.2 HA GLU 30 - QB ALA 28 far 0 96 0 - 3.9-4.7 HA ALA 29 - QB ALA 28 far 0 98 0 - 4.1-5.1 HA PHE 87 - QB ALA 15 far 0 65 0 - 4.5-35.2 HA GLN 27 - QB ALA 29 far 0 99 0 - 5.4-7.9 HA SER 94 - QB ALA 15 far 0 99 0 - 5.5-33.7 HA HIS 67 - QB ALA 15 far 0 82 0 - 5.7-32.6 HA LYS 19 - QB ALA 15 far 0 59 0 - 6.9-12.4 HA ALA 34 - QB ALA 29 far 0 94 0 - 7.9-9.5 HA ALA 34 - QB ALA 15 far 0 94 0 - 8.1-26.8 HA ARG 84 - QB ALA 15 far 0 97 0 - 8.2-38.4 HA LYS 19 - QB ALA 28 far 0 60 0 - 8.6-20.2 HA GLN 27 - QB ALA 15 far 0 99 0 - 8.7-23.4 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): 4 out of 16 assignments used, quality = 1.00: H ALA 29 + QB ALA 29 OK 100 100 100 100 2.1-3.0 2.9=100 H GLU 30 + QB ALA 28 OK 83 93 100 89 2.4-3.3 6316=49, 6318/10791=35...(10) H GLU 30 + QB ALA 29 OK 77 92 100 83 2.7-3.7 3.7=59, 6315/2.1=27...(8) * H ALA 29 + QB ALA 28 OK 77 100 85 90 1.9-3.7 3.7=58, 6308/2.1=30...(11) H LYS 31 - QB ALA 28 far 0 92 0 - 4.2-5.7 H SER 107 - QB ALA 108 far 0 91 0 - 4.2-4.6 H ARG 23 - QB ALA 28 far 0 100 0 - 4.6-15.2 H LYS 31 - QB ALA 29 far 0 91 0 - 5.0-5.7 H SER 107 - QB ALA 109 far 0 63 0 - 5.4-5.8 H SER 33 - QB ALA 29 far 0 89 0 - 5.7-6.7 H SER 107 - QB ALA 110 far 0 91 0 - 7.8-9.8 H SER 33 - QB ALA 28 far 0 90 0 - 7.8-9.5 H LEU 96 - QB ALA 15 far 0 67 0 - 8.2-36.7 H ARG 23 - QB ALA 15 far 0 100 0 - 8.4-13.9 H ARG 23 - QB ALA 29 far 0 100 0 - 9.0-16.7 H SER 33 - QB ALA 15 far 0 90 0 - 9.6-24.0 Violated in 0 structures by 0.00 A. Peak 745 from cnoeabs.peaks (8.25, 4.23, 52.53 ppm; 2.94 A): 3 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 GLU 30 + HA ALA 29 OK 77 93 100 82 2.9-3.5 3.6=56, 6316/2.1=23...(13) H ALA 29 + HA ALA 28 OK 70 93 100 75 2.1-3.2 3.6=56, 6309/2.1=23...(8) H GLU 30 - HA ALA 28 far 0 83 0 - 3.8-4.3 H LYS 31 - HA ALA 29 far 0 92 0 - 4.6-5.1 H SER 33 - HA ALA 29 far 0 90 0 - 5.4-6.0 H LYS 31 - HA ALA 28 far 0 81 0 - 6.2-7.6 H ARG 23 - HA ALA 28 far 0 92 0 - 6.3-16.5 H SER 33 - HA ALA 28 far 0 80 0 - 8.6-10.6 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): 2 out of 9 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 far 0 93 0 - 3.7-4.3 QB ALA 28 - HA ALA 29 far 0 100 0 - 4.1-5.1 HG3 LYS 26 - HA ALA 29 far 0 100 0 - 5.0-8.0 HG3 LYS 26 - HA ALA 28 far 0 93 0 - 5.4-8.4 HG3 LYS 31 - HA ALA 29 far 0 97 0 - 7.7-9.0 HG2 LYS 24 - HA ALA 28 far 0 93 0 - 9.0-15.1 HG2 LYS 36 - HA ALA 29 far 0 100 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 748 from cnoeabs.peaks (8.26, 4.23, 52.53 ppm; 3.13 A): 3 out of 7 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 90 100 100 90 2.9-3.5 3.6=67, 6316/2.1=29...(13) H ALA 29 + HA ALA 28 OK 67 83 100 81 2.1-3.2 3.6=67, 6309/2.1=23...(7) H GLU 30 - HA ALA 28 far 0 93 0 - 3.8-4.3 H LYS 31 - HA ALA 29 far 0 60 0 - 4.6-5.1 H LYS 31 - HA ALA 28 far 0 51 0 - 6.2-7.6 H ARG 23 - HA ALA 28 far 0 78 0 - 6.3-16.5 Violated in 0 structures by 0.00 A. Peak 749 from cnoeabs.peaks (8.25, 1.38, 19.08 ppm; 3.09 A): 4 out of 16 assignments used, quality = 1.00: * H ALA 29 + QB ALA 29 OK 100 100 100 100 2.1-3.0 2.9=100 H GLU 30 + QB ALA 28 OK 82 92 100 89 2.4-3.3 6316=49, 6318/10791=35...(10) H GLU 30 + QB ALA 29 OK 77 93 100 83 2.7-3.7 3.7=59, 6315/2.1=27...(8) H ALA 29 + QB ALA 28 OK 76 100 85 90 1.9-3.7 3.7=58, 6308/2.1=30...(11) H LYS 31 - QB ALA 28 far 0 91 0 - 4.2-5.7 H SER 107 - QB ALA 108 far 0 89 0 - 4.2-4.6 H ARG 23 - QB ALA 28 far 0 100 0 - 4.6-15.2 H LYS 31 - QB ALA 29 far 0 92 0 - 5.0-5.7 H SER 107 - QB ALA 109 far 0 59 0 - 5.4-5.8 H SER 33 - QB ALA 29 far 0 90 0 - 5.7-6.7 H SER 107 - QB ALA 110 far 0 91 0 - 7.8-9.8 H SER 33 - QB ALA 28 far 0 89 0 - 7.8-9.5 H LEU 96 - QB ALA 15 far 0 67 0 - 8.2-36.7 H ARG 23 - QB ALA 15 far 0 100 0 - 8.4-13.9 H ARG 23 - QB ALA 29 far 0 100 0 - 9.0-16.7 H SER 33 - QB ALA 15 far 0 89 0 - 9.6-24.0 Violated in 0 structures by 0.00 A. Peak 750 from cnoeabs.peaks (4.23, 1.38, 19.08 ppm; 2.50 A): 2 out of 18 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 far 0 98 0 - 3.7-4.3 HA GLN 27 - QB ALA 28 far 0 91 0 - 3.7-5.0 HA GLU 30 - QB ALA 29 far 0 100 0 - 3.8-4.2 HA GLU 30 - QB ALA 28 far 0 100 0 - 3.9-4.7 HA ALA 29 - QB ALA 28 far 0 100 0 - 4.1-5.1 HB THR 25 - QB ALA 29 far 0 65 0 - 4.5-12.0 HA GLN 27 - QB ALA 29 far 0 92 0 - 5.4-7.9 HA SER 94 - QB ALA 15 far 0 99 0 - 5.5-33.7 HA HIS 67 - QB ALA 15 far 0 96 0 - 5.7-32.6 HB THR 25 - QB ALA 28 far 0 64 0 - 6.0-10.1 HB THR 25 - QB ALA 15 far 0 64 0 - 7.0-20.3 HA ALA 88 - QB ALA 15 far 0 70 0 - 7.2-38.3 HA ALA 34 - QB ALA 29 far 0 100 0 - 7.9-9.5 HA ALA 34 - QB ALA 15 far 0 99 0 - 8.1-26.8 HA ARG 84 - QB ALA 15 far 0 84 0 - 8.2-38.4 HA GLN 27 - QB ALA 15 far 0 91 0 - 8.7-23.4 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): 4 out of 14 assignments used, quality = 1.00: H ALA 29 + QB ALA 29 OK 93 93 100 100 2.1-3.0 2.9=100 H GLU 30 + QB ALA 28 OK 92 100 100 92 2.4-3.3 6316=55, 6318/10791=41...(10) * H GLU 30 + QB ALA 29 OK 86 100 100 86 2.7-3.7 3.7=62, 6315/2.1=30...(9) H ALA 29 + QB ALA 28 OK 83 92 100 90 1.9-3.7 3.7=61, 4.6/6304=29...(11) H LYS 31 - QB ALA 28 far 0 59 0 - 4.2-5.7 H SER 107 - QB ALA 108 far 0 59 0 - 4.2-4.6 H ARG 23 - QB ALA 28 far 0 88 0 - 4.6-15.2 H LYS 31 - QB ALA 29 far 0 60 0 - 5.0-5.7 H SER 107 - QB ALA 109 far 0 36 0 - 5.4-5.8 H SER 107 - QB ALA 110 far 0 60 0 - 7.8-9.8 H LEU 96 - QB ALA 15 far 0 95 0 - 8.2-36.7 H ARG 23 - QB ALA 15 far 0 88 0 - 8.4-13.9 H ARG 23 - QB ALA 29 far 0 89 0 - 9.0-16.7 H SER 99 - QB ALA 15 far 0 59 0 - 9.5-37.2 Violated in 0 structures by 0.00 A. Peak 753 from cnoeabs.peaks (8.26, 4.22, 56.42 ppm; 3.58 A): 2 out of 7 assignments used, quality = 1.00: * H GLU 30 + HA GLU 30 OK 100 100 100 100 2.5-2.9 3.0=100 H LYS 31 + HA GLU 30 OK 60 60 100 100 3.5-3.6 3.6=100 H ALA 29 - HA GLN 27 far 5 34 15 - 3.2-7.0 H ALA 29 - HA GLU 30 far 0 93 0 - 4.8-5.4 H GLU 30 - HA GLN 27 far 0 41 0 - 5.0-7.2 H ARG 23 - HA GLN 27 far 0 32 0 - 8.1-13.3 H ARG 23 - HA GLU 30 far 0 89 0 - 9.2-20.7 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 4 assignments used, quality = 1.00: * HB2 GLU 30 + HA GLU 30 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 GLN 27 + HA GLN 27 OK 38 38 100 100 2.2-2.9 3.0=100 HB2 GLU 30 - HA GLN 27 far 0 41 0 - 4.3-7.6 HB2 GLN 27 - HA GLU 30 far 0 98 0 - 5.9-10.5 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 4 assignments used, quality = 1.00: * HB3 GLU 30 + HA GLU 30 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 GLU 30 - HA GLN 27 far 0 41 0 - 5.6-9.2 HB VAL 20 - HA GLN 27 far 0 31 0 - 8.9-18.3 QE MET 11 - HA GLN 27 far 0 28 0 - 9.6-32.6 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 2 assignments used, quality = 1.00: * HG2 GLU 30 + HA GLU 30 OK 100 100 100 100 2.0-3.9 3.8=100 HG2 GLU 30 - HA GLN 27 far 0 41 0 - 6.8-9.8 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 6 assignments used, quality = 1.00: * HG3 GLU 30 + HA GLU 30 OK 100 100 100 100 2.1-3.6 3.8=100 HG2 GLN 27 + HA GLN 27 OK 28 28 100 100 2.1-3.7 3.7=100 HG3 GLN 27 + HA GLN 27 OK 21 21 100 100 2.8-4.2 3.7=100 HG3 GLN 27 - HA GLU 30 far 7 65 10 - 5.1-11.3 HG3 GLU 30 - HA GLN 27 far 2 41 5 - 5.3-9.6 HG2 GLN 27 - HA GLU 30 far 0 81 0 - 6.0-10.2 Violated in 0 structures by 0.00 A. Peak 759 from cnoeabs.peaks (8.23, 4.22, 56.42 ppm; 2.88 A): 1 out of 9 assignments used, quality = 0.59: H GLU 30 + HA GLU 30 OK 59 60 100 98 2.5-2.9 3.0=93, 6318/3.0=19...(9) H ALA 29 - HA GLN 27 far 5 34 15 - 3.2-7.0 ! H LYS 31 - HA GLU 30 far 0 100 0 - 3.5-3.6 H ALA 29 - HA GLU 30 far 0 92 0 - 4.8-5.4 H LYS 31 - HA GLN 27 far 0 41 0 - 5.6-9.0 H SER 33 - HA GLN 27 far 0 41 0 - 6.0-11.3 H ARG 23 - HA GLN 27 far 0 36 0 - 8.1-13.3 H SER 33 - HA GLU 30 far 0 100 0 - 8.2-9.1 H ARG 23 - HA GLU 30 far 0 96 0 - 9.2-20.7 Violated in 0 structures by 0.00 A. Peak 760 from cnoeabs.peaks (8.26, 1.96, 29.50 ppm; 3.76 A): 2 out of 8 assignments used, quality = 1.00: * H GLU 30 + HB2 GLU 30 OK 100 100 100 100 2.1-2.6 6318=89, 6319/1.8=76...(19) H LYS 31 + HB2 GLU 30 OK 56 60 100 93 2.2-2.7 4.6=53, 4.6/6318=39...(14) H LYS 31 - HB2 GLN 27 far 0 44 0 - 4.4-8.7 H ALA 29 - HB2 GLU 30 far 0 93 0 - 4.4-4.9 H GLU 30 - HB2 GLN 27 far 0 84 0 - 4.6-8.4 H ALA 29 - HB2 GLN 27 far 0 73 0 - 4.9-7.6 H ARG 23 - HB2 GLN 27 far 0 69 0 - 5.6-14.4 H ARG 23 - HB2 GLU 30 far 0 89 0 - 8.1-18.2 Violated in 0 structures by 0.00 A. Peak 761 from cnoeabs.peaks (4.22, 1.96, 29.50 ppm; 3.20 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 30 + HB2 GLU 30 OK 100 100 100 100 2.8-3.0 3.0=100 HA GLN 27 + HB2 GLN 27 OK 67 67 100 100 2.2-2.9 3.0=100 HB THR 25 - HB2 GLN 27 far 3 55 5 - 3.4-9.7 HA GLN 27 - HB2 GLU 30 far 0 87 0 - 4.3-7.6 HA ALA 28 - HB2 GLN 27 far 0 76 0 - 4.7-6.4 HA ALA 28 - HB2 GLU 30 far 0 96 0 - 4.9-5.7 HA ALA 29 - HB2 GLU 30 far 0 100 0 - 4.9-5.3 HA GLU 30 - HB2 GLN 27 far 0 84 0 - 5.9-10.5 HA ALA 29 - HB2 GLN 27 far 0 83 0 - 6.8-8.5 HB THR 25 - HB2 GLU 30 far 0 73 0 - 6.8-14.2 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 4 assignments used, quality = 1.00: * HB3 GLU 30 + HB2 GLU 30 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 30 - HB2 GLN 27 far 0 84 0 - 3.8-9.7 HB VAL 20 - HB2 GLN 27 far 0 67 0 - 7.1-18.6 QE MET 11 - HB2 GLN 27 far 0 61 0 - 8.1-33.0 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 2 assignments used, quality = 1.00: * HG2 GLU 30 + HB2 GLU 30 OK 100 100 100 100 2.2-2.9 3.0=100 HG2 GLU 30 - HB2 GLN 27 far 0 84 0 - 5.4-10.3 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 6 assignments used, quality = 1.00: * HG3 GLU 30 + HB2 GLU 30 OK 100 100 100 100 2.2-2.8 3.0=100 HG2 GLN 27 + HB2 GLN 27 OK 61 61 100 100 2.3-3.0 3.0=100 HG3 GLN 27 + HB2 GLN 27 OK 48 48 100 100 2.3-3.0 3.0=100 HG2 GLN 27 - HB2 GLU 30 poor 16 81 20 - 3.7-8.2 HG3 GLN 27 - HB2 GLU 30 poor 10 65 45 33 3.1-9.2 4.9/6297=12...(7) HG3 GLU 30 - HB2 GLN 27 far 0 84 0 - 4.0-9.8 Violated in 0 structures by 0.00 A. Peak 766 from cnoeabs.peaks (8.23, 1.96, 29.50 ppm; 3.74 A): 2 out of 10 assignments used, quality = 1.00: * H LYS 31 + HB2 GLU 30 OK 100 100 100 100 2.2-2.7 6326=100, 6327/1.8=83...(14) H GLU 30 + HB2 GLU 30 OK 60 60 100 100 2.1-2.6 4.0=82, 759/3.0=71...(17) H LYS 31 - HB2 GLN 27 far 0 84 0 - 4.4-8.7 H ALA 29 - HB2 GLU 30 far 0 92 0 - 4.4-4.9 H GLU 30 - HB2 GLN 27 far 0 44 0 - 4.6-8.4 H ALA 29 - HB2 GLN 27 far 0 72 0 - 4.9-7.6 H ARG 23 - HB2 GLN 27 far 0 76 0 - 5.6-14.4 H SER 33 - HB2 GLU 30 far 0 100 0 - 8.1-8.9 H ARG 23 - HB2 GLU 30 far 0 96 0 - 8.1-18.2 H SER 33 - HB2 GLN 27 far 0 84 0 - 8.5-11.3 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 4 assignments used, quality = 1.00: * H GLU 30 + HB3 GLU 30 OK 100 100 100 100 2.9-3.7 6319=99, 6318/1.8=83...(14) H LYS 31 + HB3 GLU 30 OK 54 60 100 91 1.9-3.7 4.6=50, 6326/1.8=36...(9) H ALA 29 - HB3 GLU 30 far 0 93 0 - 5.5-6.4 H ARG 23 - HB3 GLU 30 far 0 89 0 - 6.9-19.4 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 5 assignments used, quality = 1.00: * HA GLU 30 + HB3 GLU 30 OK 100 100 100 100 2.3-2.9 3.0=100 HA GLN 27 - HB3 GLU 30 far 0 87 0 - 5.6-9.2 HA ALA 29 - HB3 GLU 30 far 0 100 0 - 5.7-6.2 HA ALA 28 - HB3 GLU 30 far 0 96 0 - 5.7-7.3 HB THR 25 - HB3 GLU 30 far 0 73 0 - 7.8-15.8 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 3 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 - 3.8-9.7 HG2 PRO 113 - HB3 PRO 56 far 0 26 0 - 5.3-7.5 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 3 assignments used, quality = 1.00: * HG2 GLU 30 + HB3 GLU 30 OK 100 100 100 100 2.4-2.8 3.0=100 HB3 PRO 113 - HB3 PRO 56 far 0 37 0 - 5.2-7.6 HG2 GLN 61 - HB3 PRO 56 far 0 42 0 - 9.3-11.5 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 3 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 27 - HB3 GLU 30 poor 20 65 30 - 3.5-10.9 HG2 GLN 27 - HB3 GLU 30 far 8 81 10 - 4.3-9.8 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 5 assignments used, quality = 1.00: * H LYS 31 + HB3 GLU 30 OK 100 100 100 100 1.9-3.7 6327=100, 6326/1.8=77...(10) H GLU 30 + HB3 GLU 30 OK 60 60 100 99 2.9-3.7 4.0=76, 759/3.0=69...(14) H ALA 29 - HB3 GLU 30 far 0 92 0 - 5.5-6.4 H ARG 23 - HB3 GLU 30 far 0 96 0 - 6.9-19.4 H SER 33 - HB3 GLU 30 far 0 100 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 774 from cnoeabs.peaks (8.26, 2.29, 35.22 ppm; 3.95 A): 3 out of 7 assignments used, quality = 0.99: * H GLU 30 + HG2 GLU 30 OK 95 100 95 100 3.0-4.6 6320=100, 6321/1.8=75...(11) H LEU 96 + HG2 GLU 97 OK 58 63 100 91 3.9-4.2 7330/4.6=42...(16) H LYS 31 + HG2 GLU 30 OK 57 60 100 96 3.6-4.5 3.6/775=56, 4.9=52...(9) H ALA 29 - HG2 GLU 30 far 0 93 0 - 5.4-7.1 H SER 99 - HG2 GLU 97 far 0 35 0 - 5.8-6.7 H VAL 126 - HG2 GLU 97 far 0 37 0 - 8.4-9.4 H ARG 23 - HG2 GLU 30 far 0 89 0 - 8.8-21.0 Violated in 0 structures by 0.00 A. Peak 775 from cnoeabs.peaks (4.22, 2.29, 35.22 ppm; 3.78 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 30 + HG2 GLU 30 OK 100 100 100 100 2.0-3.9 3.8=100 HA SER 94 + HG2 GLU 97 OK 65 68 100 95 2.3-3.7 11456/1.8=50...(15) HA ALA 28 - HG2 GLU 30 far 0 96 0 - 6.0-7.7 HA ALA 29 - HG2 GLU 30 far 0 100 0 - 6.1-7.5 HA GLN 27 - HG2 GLU 30 far 0 87 0 - 6.8-9.8 HA HIS 67 - HG2 GLU 97 far 0 67 0 - 6.9-8.0 HB THR 25 - HG2 GLU 30 far 0 73 0 - 8.0-16.6 HA SER 99 - HG2 GLU 97 far 0 67 0 - 8.6-9.1 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 5 assignments used, quality = 1.00: * HB2 GLU 30 + HG2 GLU 30 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 GLN 27 - HG2 GLU 30 far 0 98 0 - 5.4-10.3 HB2 LYS 95 - HG2 GLU 97 far 0 53 0 - 6.3-6.9 HB3 LYS 95 - HG2 GLU 97 far 0 58 0 - 6.9-7.4 HB3 ARG 90 - HG2 GLU 97 far 0 69 0 - 7.4-8.2 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 5 assignments used, quality = 1.00: * HB3 GLU 30 + HG2 GLU 30 OK 100 100 100 100 2.4-2.8 3.0=100 QE MET 11 - HG2 GLU 97 far 0 50 0 - 6.7-32.8 HG2 ARG 90 - HG2 GLU 97 far 0 70 0 - 8.2-9.6 HB ILE 129 - HG2 GLU 97 far 0 57 0 - 8.5-10.0 HB3 MET 11 - HG2 GLU 97 far 0 70 0 - 9.3-37.3 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 5 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 0 65 0 - 4.2-11.3 HG2 GLN 27 - HG2 GLU 30 far 0 81 0 - 5.2-10.0 HB VAL 77 - HG2 GLU 97 far 0 70 0 - 8.8-9.6 HG2 GLU 102 - HG2 GLU 97 far 0 39 0 - 9.5-13.4 Violated in 0 structures by 0.00 A. Peak 780 from cnoeabs.peaks (8.23, 2.29, 35.22 ppm; 4.14 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 31 + HG2 GLU 30 OK 100 100 100 100 3.6-4.5 6328=76, 6327/3.0=73...(9) H GLU 30 + HG2 GLU 30 OK 60 60 100 99 3.0-4.6 759/775=71, 5.1=55...(12) H ALA 29 - HG2 GLU 30 far 0 92 0 - 5.4-7.1 H ARG 23 - HG2 GLU 30 far 0 96 0 - 8.8-21.0 Violated in 0 structures by 0.00 A. Peak 781 from cnoeabs.peaks (8.26, 2.33, 35.22 ppm; 4.13 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 30 + HG3 GLU 30 OK 100 100 100 100 3.0-4.1 6321=91, 6320/1.8=82...(11) H LYS 31 + HG3 GLU 30 OK 59 60 100 98 2.1-4.6 3.6/782=63, 4.9=59...(10) H GLU 40 + HG2 GLU 40 OK 52 52 100 99 1.9-4.5 4.8=66, 6460/3.0=55...(11) H ALA 29 - HG3 GLU 30 far 0 93 0 - 4.9-6.5 H LEU 43 - HG2 GLU 40 far 0 41 0 - 5.8-6.8 H ARG 23 - HG3 GLU 30 far 0 89 0 - 9.6-20.7 Violated in 0 structures by 0.00 A. Peak 782 from cnoeabs.peaks (4.22, 2.33, 35.22 ppm; 3.49 A): 1 out of 6 assignments used, quality = 0.98: * HA GLU 30 + HG3 GLU 30 OK 98 100 100 98 2.1-3.6 3.8=79, 3.0/6321=47...(14) HB3 SER 38 - HG2 GLU 40 far 3 67 5 - 3.8-7.1 HA ALA 28 - HG3 GLU 30 far 0 96 0 - 5.0-7.9 HA GLN 27 - HG3 GLU 30 far 0 87 0 - 5.3-9.6 HA ALA 29 - HG3 GLU 30 far 0 100 0 - 5.9-6.9 HB THR 25 - HG3 GLU 30 far 0 73 0 - 9.3-16.1 Violated in 1 structures by 0.00 A. Peak 783 from cnoeabs.peaks (1.96, 2.33, 35.22 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 30 + HG3 GLU 30 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 GLN 27 - HG3 GLU 30 far 5 98 5 - 4.0-9.8 HB ILE 37 - HG2 GLU 40 far 0 61 0 - 9.2-10.8 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 5 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 0 67 0 - 5.7-9.3 HB2 GLN 134 - HG2 GLU 40 far 0 68 0 - 8.4-13.3 HG2 PRO 81 - HG2 GLU 40 far 0 48 0 - 8.6-15.6 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 1 assignment used, quality = 1.00: * HG2 GLU 30 + HG3 GLU 30 OK 100 100 100 100 1.8-1.8 1.8=100 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): 2 out of 5 assignments used, quality = 1.00: * H LYS 31 + HG3 GLU 30 OK 100 100 100 100 2.1-4.6 6327/3.0=74, 6326/3.0=72...(10) H GLU 30 + HG3 GLU 30 OK 60 60 100 99 3.0-4.1 759/782=75, 5.1=56...(10) H ALA 29 - HG3 GLU 30 far 0 92 0 - 4.9-6.5 H SER 33 - HG3 GLU 30 far 0 100 0 - 8.8-10.9 H ARG 23 - HG3 GLU 30 far 0 96 0 - 9.6-20.7 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 15 assignments used, quality = 1.00: * H LYS 31 + HA LYS 31 OK 100 100 100 100 2.9-2.9 3.0=100 H LYS 31 - HA LYS 26 far 4 89 5 - 2.8-10.0 H ALA 29 - HA LYS 26 far 4 77 5 - 3.8-9.7 H GLU 30 - HA LYS 26 far 2 48 5 - 3.4-9.6 H ARG 23 - HA LYS 19 far 0 81 0 - 5.2-7.9 H GLU 30 - HA LYS 31 far 0 60 0 - 5.3-5.7 H SER 33 - HA LYS 26 far 0 89 0 - 5.8-10.2 H ARG 23 - HA LYS 31 far 0 96 0 - 5.8-20.2 H SER 33 - HA LYS 31 far 0 100 0 - 6.3-6.4 H SER 33 - HA LYS 36 far 0 58 0 - 6.6-7.3 H ALA 29 - HA LYS 31 far 0 92 0 - 6.9-8.1 H LYS 31 - HA LYS 19 far 0 89 0 - 8.2-23.5 H ARG 23 - HA LYS 26 far 0 82 0 - 8.4-9.5 H ALA 29 - HA LYS 36 far 0 48 0 - 9.1-12.2 H GLU 30 - HA LYS 36 far 0 28 0 - 9.8-12.6 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): 3 out of 18 assignments used, quality = 1.00: * HB2 LYS 31 + HA LYS 31 OK 100 100 100 100 3.0-3.0 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 2.3-2.4 3.0=100 HB2 LYS 31 - HA LYS 26 far 4 89 5 - 4.3-11.2 HB2 LYS 24 - HA LYS 19 far 4 88 5 - 4.0-13.5 HB2 ARG 23 - HA LYS 19 far 0 81 0 - 4.5-9.3 HB2 LYS 26 - HA LYS 31 far 0 99 0 - 4.9-11.8 HB2 ARG 23 - HA LYS 31 far 0 96 0 - 5.8-19.1 HB2 LYS 24 - HA LYS 26 far 0 88 0 - 6.2-8.2 HB2 LYS 31 - HA LYS 19 far 0 89 0 - 6.8-22.9 HB2 ARG 23 - HA LYS 26 far 0 82 0 - 6.9-10.2 HB2 LYS 19 - HA LYS 31 far 0 99 0 - 7.3-26.4 HB2 LYS 26 - HA LYS 36 far 0 56 0 - 7.9-15.0 HG3 ARG 90 - HA LYS 19 far 0 83 0 - 9.2-34.8 HB2 LYS 19 - HA LYS 26 far 0 87 0 - 9.4-17.1 HB2 LYS 24 - HA LYS 31 far 0 100 0 - 9.6-19.4 HB2 LYS 26 - HA LYS 19 far 0 87 0 - 9.7-17.9 HB ILE 80 - HA LYS 19 far 0 87 0 - 9.9-34.2 Violated in 0 structures by 0.00 A. Peak 791 from cnoeabs.peaks (1.81, 4.28, 56.44 ppm; 3.50 A): 4 out of 22 assignments used, quality = 1.00: * HB3 LYS 31 + HA LYS 31 OK 100 100 100 100 2.5-2.6 3.0=100 HB3 LYS 19 + HA LYS 19 OK 89 89 100 100 2.5-2.7 3.0=100 HB3 LYS 26 + HA LYS 26 OK 87 87 100 100 2.3-3.0 3.0=100 HB2 LYS 36 + HA LYS 36 OK 57 57 100 100 2.2-2.9 3.0=100 HB3 LYS 31 - HA LYS 26 far 0 89 0 - 4.5-12.4 HB3 LYS 26 - HA LYS 31 far 0 99 0 - 4.5-10.2 HB ILE 32 - HA LYS 26 far 0 87 0 - 4.8-10.0 HB ILE 32 - HA LYS 31 far 0 99 0 - 4.8-5.6 HB3 ARG 23 - HA LYS 26 far 0 83 0 - 5.4-10.0 HB3 LYS 24 - HA LYS 19 far 0 89 0 - 5.5-13.9 HB3 LYS 19 - HA LYS 31 far 0 100 0 - 5.6-24.7 HB3 LYS 31 - HA LYS 19 far 0 89 0 - 5.7-24.3 HB3 ARG 23 - HA LYS 19 far 0 83 0 - 5.8-10.6 HB ILE 32 - HA LYS 36 far 0 56 0 - 6.4-7.7 HB3 LYS 24 - HA LYS 26 far 0 89 0 - 6.7-8.2 HB3 ARG 23 - HA LYS 31 far 0 97 0 - 7.2-20.2 HB2 CYS 79 - HA LYS 36 far 0 31 0 - 7.7-10.1 HB3 LYS 19 - HA LYS 26 far 0 89 0 - 7.7-15.6 HB2 LYS 36 - HA LYS 31 far 0 100 0 - 7.8-9.5 HB2 CYS 79 - HA LYS 19 far 0 52 0 - 8.0-30.8 HB3 LYS 26 - HA LYS 36 far 0 56 0 - 8.7-14.1 HB2 LYS 36 - HA LYS 26 far 0 88 0 - 9.4-16.2 Violated in 0 structures by 0.00 A. Peak 792 from cnoeabs.peaks (1.44, 4.28, 56.44 ppm; 3.86 A): 4 out of 20 assignments used, quality = 1.00: * HG2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.2-3.7 3.8=100 HG3 LYS 19 + HA LYS 19 OK 89 89 100 100 4.2-4.2 4.2=80, 6152/3.0=43...(40) HG2 LYS 26 + HA LYS 26 OK 85 85 100 100 2.9-4.2 4.0=86, 6252/2.9=62...(31) HG3 LYS 36 + HA LYS 36 OK 34 34 100 99 3.4-3.5 4.1=81, ~6394=37...(27) HG13 ILE 32 - HA LYS 26 far 9 89 10 - 3.1-8.1 HG3 LYS 24 - HA LYS 19 far 4 88 5 - 4.3-12.8 HG13 ILE 32 - HA LYS 31 far 0 100 0 - 5.0-5.6 HG2 LYS 26 - HA LYS 31 far 0 98 0 - 5.1-11.8 HG3 LYS 19 - HA LYS 31 far 0 100 0 - 6.2-25.0 HG2 LYS 31 - HA LYS 19 far 0 89 0 - 6.3-23.8 QB ALA 34 - HA LYS 26 far 0 62 0 - 6.3-10.4 QB ALA 34 - HA LYS 36 far 0 37 0 - 6.3-6.4 HG2 LYS 31 - HA LYS 26 far 0 89 0 - 6.5-13.6 QB ALA 34 - HA LYS 19 far 0 61 0 - 7.7-21.5 HG3 LYS 19 - HA LYS 26 far 0 89 0 - 7.8-16.3 HG2 LYS 26 - HA LYS 36 far 0 54 0 - 8.1-13.8 HG3 LYS 24 - HA LYS 26 far 0 88 0 - 8.4-9.7 QB ALA 34 - HA LYS 31 far 0 76 0 - 8.5-8.9 HG13 ILE 32 - HA LYS 36 far 0 58 0 - 8.5-10.0 HG3 LYS 36 - HA LYS 31 far 0 71 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 793 from cnoeabs.peaks (1.39, 4.28, 56.44 ppm; 3.75 A): 4 out of 27 assignments used, quality = 1.00: * HG3 LYS 31 + HA LYS 31 OK 100 100 100 100 2.2-3.7 3.8=95, 1.8/822=31...(21) HG3 LYS 26 + HA LYS 26 OK 85 85 100 100 2.6-3.7 4.0=79, 6253/2.9=60...(31) HG2 LYS 19 + HA LYS 19 OK 54 55 100 99 3.5-3.6 4.2=73, 6151/3.0=40...(39) HG2 LYS 36 + HA LYS 36 OK 53 54 100 100 3.1-3.3 4.1=75, 6394/3.0=54...(29) QB ALA 28 - HA LYS 26 far 13 87 15 - 3.8-7.7 HG2 LYS 24 - HA LYS 19 far 0 83 0 - 4.8-11.2 HG3 LYS 31 - HA LYS 19 far 0 89 0 - 4.8-25.5 QB ALA 29 - HA LYS 36 far 0 54 0 - 5.2-8.8 QB ALA 29 - HA LYS 31 far 0 97 0 - 5.5-6.6 QB ALA 29 - HA LYS 26 far 0 84 0 - 5.6-9.5 QB ALA 16 - HA LYS 19 far 0 79 0 - 6.1-9.7 QB ALA 34 - HA LYS 26 far 0 50 0 - 6.3-10.4 QB ALA 34 - HA LYS 36 far 0 30 0 - 6.3-6.4 QB ALA 28 - HA LYS 31 far 0 99 0 - 6.6-7.7 HG3 LYS 26 - HA LYS 31 far 0 98 0 - 6.6-12.4 HG3 LYS 31 - HA LYS 26 far 0 89 0 - 6.8-12.7 QB ALA 15 - HA LYS 19 far 0 86 0 - 6.9-12.4 HG2 LYS 19 - HA LYS 31 far 0 68 0 - 6.9-25.0 QB ALA 34 - HA LYS 19 far 0 50 0 - 7.7-21.5 HG3 LYS 26 - HA LYS 36 far 0 54 0 - 7.8-13.9 QB ALA 16 - HA LYS 31 far 0 93 0 - 7.9-25.4 HG2 LYS 24 - HA LYS 26 far 0 83 0 - 8.0-9.2 QB ALA 34 - HA LYS 31 far 0 63 0 - 8.5-8.9 QB ALA 28 - HA LYS 19 far 0 87 0 - 8.6-20.2 HG2 LYS 19 - HA LYS 26 far 0 55 0 - 8.9-15.8 HG2 LYS 24 - HA LYS 31 far 0 97 0 - 9.5-19.9 HG3 LYS 26 - HA LYS 19 far 0 85 0 - 9.9-17.8 Violated in 0 structures by 0.00 A. Peak 794 from cnoeabs.peaks (1.66, 4.28, 56.44 ppm; 4.49 A): 8 out of 28 assignments used, quality = 1.00: HD3 LYS 31 + HA LYS 31 OK 100 100 100 100 1.9-4.8 5.2=64, ~6332=33...(32) * HD2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.0-4.7 5.2=64, ~6332=33...(32) HD2 LYS 26 + HA LYS 26 OK 84 89 95 100 2.0-5.1 5.0=74, ~6253=39...(34) HD2 LYS 19 + HA LYS 19 OK 81 81 100 99 3.5-4.4 5.2=66, ~6151=37...(42) HD3 LYS 19 + HA LYS 19 OK 81 81 100 99 3.8-5.0 5.2=66, ~6151=37...(41) HD3 LYS 26 + HA LYS 26 OK 71 89 80 100 2.0-5.3 5.0=74, ~6253=39...(34) HD2 LYS 36 + HA LYS 36 OK 54 54 100 100 4.6-4.6 5.3=62, 1042/3.0=39...(29) HD3 LYS 36 + HA LYS 36 OK 35 54 65 100 4.9-5.2 5.3=62, 1042/3.0=39...(30) HD3 LYS 26 - HA LYS 31 far 10 100 10 - 4.0-10.4 HD3 LYS 31 - HA LYS 19 far 4 89 5 - 4.2-24.3 HD2 LYS 31 - HA LYS 19 far 4 89 5 - 5.1-24.1 HD2 LYS 26 - HA LYS 31 far 0 100 0 - 5.1-10.1 HD2 LYS 26 - HA LYS 36 far 0 58 0 - 5.9-11.4 HD3 LYS 26 - HA LYS 36 far 0 58 0 - 6.0-12.7 HD2 LYS 31 - HA LYS 26 far 0 89 0 - 6.5-14.6 HD2 LYS 24 - HA LYS 19 far 0 89 0 - 6.5-12.9 HD3 LYS 24 - HA LYS 19 far 0 89 0 - 6.6-13.2 HD3 LYS 24 - HA LYS 26 far 0 89 0 - 6.8-10.5 HD2 LYS 36 - HA LYS 31 far 0 98 0 - 7.5-8.1 HD3 LYS 31 - HA LYS 26 far 0 89 0 - 7.8-13.5 HD2 LYS 24 - HA LYS 26 far 0 89 0 - 7.8-10.9 HD3 LYS 19 - HA LYS 31 far 0 96 0 - 8.3-27.0 HD2 LYS 86 - HA LYS 19 far 0 89 0 - 8.6-32.1 HD2 LYS 19 - HA LYS 31 far 0 96 0 - 8.9-27.5 HD3 LYS 36 - HA LYS 31 far 0 98 0 - 9.1-9.5 HD3 LYS 86 - HA LYS 19 far 0 89 0 - 9.3-32.9 HD3 LYS 26 - HA LYS 19 far 0 89 0 - 9.7-20.2 HD3 LYS 19 - HA LYS 26 far 0 82 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 795 from cnoeabs.peaks (1.66, 4.28, 56.44 ppm; 4.50 A): 8 out of 28 assignments used, quality = 1.00: * HD3 LYS 31 + HA LYS 31 OK 100 100 100 100 1.9-4.8 5.2=64, ~6332=33...(32) HD2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.0-4.7 5.2=64, ~6332=33...(32) HD2 LYS 26 + HA LYS 26 OK 84 89 95 100 2.0-5.1 5.0=74, ~6253=39...(34) HD2 LYS 19 + HA LYS 19 OK 82 83 100 100 3.5-4.4 5.2=66, ~6151=37...(42) HD3 LYS 19 + HA LYS 19 OK 82 83 100 99 3.8-5.0 5.2=66, ~6151=37...(41) HD3 LYS 26 + HA LYS 26 OK 71 89 80 100 2.0-5.3 5.0=74, ~6253=39...(34) HD2 LYS 36 + HA LYS 36 OK 53 54 100 100 4.6-4.6 5.3=62, 1042/3.0=39...(29) HD3 LYS 36 + HA LYS 36 OK 35 54 65 100 4.9-5.2 5.3=62, 1042/3.0=39...(30) HD3 LYS 26 - HA LYS 31 far 10 100 10 - 4.0-10.4 HD2 LYS 26 - HA LYS 31 far 5 100 5 - 5.1-10.1 HD3 LYS 31 - HA LYS 19 far 4 89 5 - 4.2-24.3 HD2 LYS 31 - HA LYS 19 far 4 89 5 - 5.1-24.1 HD2 LYS 26 - HA LYS 36 far 0 58 0 - 5.9-11.4 HD3 LYS 26 - HA LYS 36 far 0 58 0 - 6.0-12.7 HD2 LYS 31 - HA LYS 26 far 0 89 0 - 6.5-14.6 HD2 LYS 24 - HA LYS 19 far 0 89 0 - 6.5-12.9 HD3 LYS 24 - HA LYS 19 far 0 89 0 - 6.6-13.2 HD3 LYS 24 - HA LYS 26 far 0 89 0 - 6.8-10.5 HD2 LYS 36 - HA LYS 31 far 0 97 0 - 7.5-8.1 HD3 LYS 31 - HA LYS 26 far 0 89 0 - 7.8-13.5 HD2 LYS 24 - HA LYS 26 far 0 89 0 - 7.8-10.9 HD3 LYS 19 - HA LYS 31 far 0 97 0 - 8.3-27.0 HD2 LYS 86 - HA LYS 19 far 0 89 0 - 8.6-32.1 HD2 LYS 19 - HA LYS 31 far 0 97 0 - 8.9-27.5 HD3 LYS 36 - HA LYS 31 far 0 97 0 - 9.1-9.5 HD3 LYS 86 - HA LYS 19 far 0 89 0 - 9.3-32.9 HD3 LYS 26 - HA LYS 19 far 0 89 0 - 9.7-20.2 HD3 LYS 19 - HA LYS 26 far 0 83 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 798 from cnoeabs.peaks (8.14, 4.28, 56.44 ppm; 3.26 A increased from 3.07 A): 1 out of 7 assignments used, quality = 1.00: * H ILE 32 + HA LYS 31 OK 100 100 100 100 2.9-3.2 6342=100, 809/3.0=38...(9) H LEU 22 - HA LYS 19 lone 1 86 30 3 3.6-5.5 6192/11764=2 H ILE 32 - HA LYS 26 far 0 89 0 - 4.6-9.8 H LEU 22 - HA LYS 31 far 0 99 0 - 7.9-22.0 H ILE 32 - HA LYS 36 far 0 58 0 - 8.3-9.6 H LEU 22 - HA LYS 26 far 0 86 0 - 9.0-11.4 H ILE 32 - HA LYS 19 far 0 89 0 - 9.9-24.1 Violated in 0 structures by 0.00 A. Peak 799 from cnoeabs.peaks (8.23, 1.74, 32.78 ppm; 3.07 A): 1 out of 17 assignments used, quality = 1.00: * H LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.6-2.8 6331=100, 6332/1.8=74...(51) H LYS 31 - HB2 LYS 26 far 14 96 15 - 2.8-9.9 H ARG 23 - HB2 LYS 31 far 5 96 5 - 3.3-18.7 H ALA 29 - HB2 LYS 26 far 0 85 0 - 3.7-9.5 H ARG 23 - HB2 LYS 24 far 0 93 0 - 4.2-6.6 H GLU 30 - HB2 LYS 26 far 0 54 0 - 4.4-9.0 H GLU 30 - HB2 LYS 31 far 0 60 0 - 5.5-6.6 H SER 33 - HB2 LYS 26 far 0 96 0 - 6.2-9.2 H SER 33 - HB2 LYS 31 far 0 100 0 - 6.4-6.7 H ALA 29 - HB2 LYS 31 far 0 92 0 - 6.7-8.6 H ARG 23 - HB2 LYS 19 far 0 90 0 - 6.9-9.7 H LYS 31 - HB2 LYS 24 far 0 99 0 - 8.3-17.4 H LYS 31 - HB2 LYS 19 far 0 97 0 - 8.7-24.7 H ALA 29 - HB2 LYS 24 far 0 89 0 - 9.1-15.1 H ARG 23 - HB2 LYS 26 far 0 89 0 - 9.3-11.5 H GLU 30 - HB2 LYS 24 far 0 57 0 - 9.5-15.9 H SER 33 - HB2 LYS 24 far 0 99 0 - 9.8-15.7 Violated in 0 structures by 0.00 A. Peak 800 from cnoeabs.peaks (4.28, 1.74, 32.78 ppm; 3.34 A): 3 out of 37 assignments used, quality = 1.00: * HA LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.0-3.0 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 2.3-2.4 3.0=100 HA ARG 23 - HB2 LYS 31 far 5 98 5 - 2.6-16.6 HA ALA 21 - HB2 LYS 24 far 5 92 5 - 3.2-10.2 HA LYS 19 - HB2 LYS 24 far 0 95 0 - 4.0-13.5 HA THR 25 - HB2 LYS 24 far 0 91 0 - 4.2-5.0 HA LEU 22 - HB2 LYS 24 far 0 96 0 - 4.2-7.1 HA LYS 26 - HB2 LYS 31 far 0 99 0 - 4.3-11.2 HA THR 25 - HB2 LYS 26 far 0 86 0 - 4.5-5.6 HA ARG 23 - HB2 LYS 24 far 0 96 0 - 4.6-6.1 HA LYS 31 - HB2 LYS 26 far 0 96 0 - 4.9-11.8 HA SER 74 - HB2 LYS 19 far 0 88 0 - 5.6-34.6 HA THR 18 - HB2 LYS 19 far 0 86 0 - 6.0-6.2 HA LYS 26 - HB2 LYS 24 far 0 97 0 - 6.2-8.2 HA ALA 16 - HB2 LYS 19 far 0 97 0 - 6.3-10.0 HA ARG 23 - HB2 LYS 19 far 0 93 0 - 6.3-11.2 HA LEU 22 - HB2 LYS 31 far 0 98 0 - 6.8-20.4 HA LYS 19 - HB2 LYS 31 far 0 97 0 - 6.8-22.9 HA ALA 15 - HB2 LYS 19 far 0 94 0 - 6.9-13.3 HA ARG 23 - HB2 LYS 26 far 0 92 0 - 7.0-10.2 HA THR 25 - HB2 LYS 31 far 0 93 0 - 7.1-15.0 HA THR 18 - HB2 LYS 24 far 0 89 0 - 7.3-14.1 HA LYS 31 - HB2 LYS 19 far 0 97 0 - 7.3-26.4 HA ALA 12 - HB2 LYS 19 far 0 94 0 - 7.3-22.3 HA THR 25 - HB2 LYS 19 far 0 88 0 - 7.6-17.0 HA LYS 36 - HB2 LYS 26 far 0 96 0 - 7.9-15.0 HA LEU 22 - HB2 LYS 19 far 0 93 0 - 7.9-10.4 HA ALA 21 - HB2 LYS 31 far 0 95 0 - 8.0-21.9 HA ALA 21 - HB2 LYS 19 far 0 89 0 - 8.1-8.5 HA SER 74 - HB2 LYS 24 far 0 91 0 - 8.6-21.9 HA LEU 22 - HB2 LYS 26 far 0 92 0 - 8.7-13.8 HA ALA 12 - HB2 LYS 31 far 0 99 0 - 9.0-37.5 HA LYS 26 - HB2 LYS 19 far 0 94 0 - 9.4-17.1 HA LYS 31 - HB2 LYS 24 far 0 99 0 - 9.6-19.4 HA LYS 19 - HB2 LYS 26 far 0 91 0 - 9.7-17.9 HA ALA 16 - HB2 LYS 31 far 0 100 0 - 9.8-27.0 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 27 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 26 - HB2 LYS 31 far 5 99 5 - 2.8-9.8 HB3 LYS 31 - HB2 LYS 26 far 0 96 0 - 3.3-12.5 HB3 LYS 19 - HB2 LYS 24 far 0 99 0 - 4.2-14.4 HB3 ARG 23 - HB2 LYS 31 far 0 97 0 - 5.4-19.6 HB ILE 32 - HB2 LYS 26 far 0 94 0 - 5.4-8.5 HB ILE 32 - HB2 LYS 31 far 0 99 0 - 6.0-6.4 HB3 ARG 23 - HB2 LYS 24 far 0 94 0 - 6.1-7.3 HB3 LYS 19 - HB2 LYS 31 far 0 100 0 - 6.3-22.1 HB3 ARG 23 - HB2 LYS 26 far 0 90 0 - 6.4-12.2 HB3 LYS 31 - HB2 LYS 19 far 0 97 0 - 6.5-25.3 HB3 ARG 23 - HB2 LYS 19 far 0 92 0 - 6.5-12.1 HB3 LYS 24 - HB2 LYS 19 far 0 97 0 - 6.6-15.6 HB2 CYS 79 - HB2 LYS 19 far 0 60 0 - 7.0-32.6 HB3 LYS 31 - HB2 LYS 24 far 0 99 0 - 7.9-19.1 HB3 LYS 24 - HB2 LYS 31 far 0 100 0 - 7.9-18.7 HB3 LYS 24 - HB2 LYS 26 far 0 96 0 - 8.1-9.9 HB2 LYS 36 - HB2 LYS 26 far 0 95 0 - 8.3-14.6 HB3 ARG 135 - HB2 LYS 39 far 0 34 0 - 8.3-11.2 HB3 LYS 26 - HB2 LYS 24 far 0 97 0 - 8.6-10.2 HB2 LYS 36 - HB2 LYS 31 far 0 100 0 - 9.1-11.4 HB2 CYS 79 - HB2 LYS 24 far 0 63 0 - 9.4-22.1 HB2 LYS 86 - HB2 LYS 19 far 0 83 0 - 9.5-37.3 HB3 LYS 19 - HB2 LYS 26 far 0 96 0 - 9.7-17.7 Violated in 0 structures by 0.00 A. Peak 803 from cnoeabs.peaks (1.44, 1.74, 32.78 ppm; 3.51 A): 4 out of 23 assignments used, quality = 1.00: * HG2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.2-2.9 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 2.7-2.8 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 poor 20 98 20 - 2.4-11.6 HG2 LYS 31 - HB2 LYS 26 far 0 96 0 - 4.5-14.0 HG13 ILE 32 - HB2 LYS 26 far 0 96 0 - 4.5-7.0 HG13 ILE 32 - HB2 LYS 31 far 0 100 0 - 4.6-6.1 QB ALA 34 - HB2 LYS 26 far 0 69 0 - 5.3-9.6 HG3 LYS 24 - HB2 LYS 19 far 0 96 0 - 6.1-14.5 HG3 LYS 19 - HB2 LYS 24 far 0 99 0 - 6.3-15.3 HG3 LYS 19 - HB2 LYS 31 far 0 100 0 - 6.6-22.5 QB ALA 34 - HB2 LYS 19 far 0 70 0 - 7.0-22.9 HG2 LYS 31 - HB2 LYS 19 far 0 97 0 - 7.2-24.6 HG2 LYS 26 - HB2 LYS 24 far 0 96 0 - 7.3-9.8 HG3 LYS 24 - HB2 LYS 31 far 0 100 0 - 7.4-19.6 QB ALA 34 - HB2 LYS 24 far 0 73 0 - 7.6-13.6 QB ALA 34 - HB2 LYS 31 far 0 76 0 - 8.0-8.8 HG2 LYS 31 - HB2 LYS 24 far 0 99 0 - 8.1-20.1 HG2 LYS 86 - HB2 LYS 19 far 0 75 0 - 8.6-36.3 HG13 ILE 32 - HB2 LYS 24 far 0 99 0 - 9.1-14.3 HG3 LYS 19 - HB2 LYS 26 far 0 96 0 - 9.5-17.7 HG3 LYS 24 - HB2 LYS 26 far 0 95 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 804 from cnoeabs.peaks (1.39, 1.74, 32.78 ppm; 3.54 A): 4 out of 30 assignments used, quality = 1.00: * HG3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HB2 LYS 24 OK 94 94 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HB2 LYS 26 OK 92 92 100 100 2.5-3.0 3.0=100 HG2 LYS 19 + HB2 LYS 19 OK 63 63 100 100 2.9-2.9 3.0=100 HG3 LYS 26 - HB2 LYS 31 far 10 98 10 - 4.0-11.8 QB ALA 28 - HB2 LYS 26 far 0 94 0 - 4.3-7.9 QB ALA 29 - HB2 LYS 26 far 0 91 0 - 4.8-8.9 HG3 LYS 31 - HB2 LYS 26 far 0 96 0 - 5.1-12.9 HB2 LEU 42 - HB2 LYS 39 far 0 31 0 - 5.3-6.0 QB ALA 34 - HB2 LYS 26 far 0 56 0 - 5.3-9.6 QB ALA 15 - HB2 LYS 19 far 0 94 0 - 5.5-12.4 QB ALA 16 - HB2 LYS 19 far 0 88 0 - 5.7-9.3 QB ALA 28 - HB2 LYS 24 far 0 97 0 - 5.9-13.1 HG3 LYS 31 - HB2 LYS 19 far 0 97 0 - 6.0-26.3 QB ALA 28 - HB2 LYS 31 far 0 99 0 - 6.3-7.9 HG2 LYS 19 - HB2 LYS 24 far 0 65 0 - 6.4-14.3 HG2 LYS 24 - HB2 LYS 31 far 0 97 0 - 6.6-18.9 HG2 LYS 24 - HB2 LYS 19 far 0 92 0 - 6.7-13.0 QB ALA 16 - HB2 LYS 31 far 0 93 0 - 6.8-23.1 QB ALA 34 - HB2 LYS 19 far 0 57 0 - 7.0-22.9 QB ALA 29 - HB2 LYS 31 far 0 97 0 - 7.0-7.5 HG3 LYS 26 - HB2 LYS 24 far 0 96 0 - 7.1-8.9 QB ALA 34 - HB2 LYS 24 far 0 60 0 - 7.6-13.6 HG2 LYS 19 - HB2 LYS 31 far 0 68 0 - 7.6-22.5 HG3 LYS 31 - HB2 LYS 24 far 0 99 0 - 7.7-20.6 QB ALA 29 - HB2 LYS 24 far 0 95 0 - 7.9-14.1 QB ALA 34 - HB2 LYS 31 far 0 63 0 - 8.0-8.8 QB ALA 15 - HB2 LYS 24 far 0 97 0 - 9.2-18.3 HG2 LYS 24 - HB2 LYS 26 far 0 90 0 - 9.2-11.0 HG3 LYS 26 - HB2 LYS 19 far 0 93 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 805 from cnoeabs.peaks (1.66, 1.74, 32.78 ppm; 4.35 A): 9 out of 34 assignments used, quality = 1.00: * HD2 LYS 31 + HB2 LYS 31 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 24 + HB2 LYS 24 OK 99 99 100 100 2.6-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.6-3.7 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.1-4.0 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.3-3.9 3.5=100 HD3 LYS 19 + HB2 LYS 19 OK 90 90 100 100 2.0-3.5 3.9=100 HD2 LYS 19 + HB2 LYS 19 OK 90 90 100 100 2.2-3.2 3.9=100 HD2 LYS 39 + HB2 LYS 39 OK 27 27 100 100 2.6-3.7 3.6=100 HD2 LYS 26 - HB2 LYS 31 poor 20 100 20 - 3.7-10.0 HG LEU 43 - HB2 LYS 39 poor 18 26 70 - 3.4-5.3 HD3 LYS 26 - HB2 LYS 31 far 15 100 15 - 2.1-9.6 HD3 LYS 31 - HB2 LYS 19 far 5 97 5 - 4.6-25.0 HD2 LYS 31 - HB2 LYS 19 far 0 97 0 - 5.2-25.0 HD2 LYS 31 - HB2 LYS 26 far 0 96 0 - 5.4-13.3 HD3 LYS 31 - HB2 LYS 26 far 0 96 0 - 6.1-13.8 HD2 LYS 86 - HB2 LYS 19 far 0 97 0 - 6.5-34.1 HD3 LYS 86 - HB2 LYS 19 far 0 97 0 - 7.1-35.0 HD2 LYS 19 - HB2 LYS 24 far 0 93 0 - 7.3-16.3 HD3 LYS 24 - HB2 LYS 19 far 0 97 0 - 7.9-15.5 HD3 LYS 26 - HB2 LYS 24 far 0 99 0 - 7.9-11.0 HD3 LYS 19 - HB2 LYS 31 far 0 96 0 - 8.2-24.6 HD2 LYS 24 - HB2 LYS 19 far 0 97 0 - 8.2-15.2 HD3 LYS 19 - HB2 LYS 24 far 0 93 0 - 8.2-16.3 HD2 LYS 36 - HB2 LYS 31 far 0 98 0 - 8.4-9.8 HD3 LYS 24 - HB2 LYS 26 far 0 96 0 - 8.4-11.9 HD2 LYS 26 - HB2 LYS 24 far 0 99 0 - 8.6-11.1 HD2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.8-21.3 HD2 LYS 19 - HB2 LYS 31 far 0 96 0 - 9.2-25.0 HD3 LYS 24 - HB2 LYS 31 far 0 100 0 - 9.4-20.4 HD2 LYS 24 - HB2 LYS 26 far 0 96 0 - 9.6-12.5 HD3 LYS 36 - HB2 LYS 31 far 0 98 0 - 9.7-11.4 HD3 LYS 31 - HB2 LYS 24 far 0 99 0 - 9.9-20.2 HD2 LYS 31 - HB2 LYS 24 far 0 99 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 806 from cnoeabs.peaks (1.66, 1.74, 32.78 ppm; 4.35 A): 9 out of 34 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 2.1-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.6-3.7 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.6-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.1-4.0 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.3-3.9 3.5=100 HD3 LYS 19 + HB2 LYS 19 OK 92 92 100 100 2.0-3.5 3.9=100 HD2 LYS 19 + HB2 LYS 19 OK 92 92 100 100 2.2-3.2 3.9=100 HD2 LYS 39 + HB2 LYS 39 OK 26 26 100 100 2.6-3.7 3.6=100 HG LEU 43 - HB2 LYS 39 poor 19 27 70 - 3.4-5.3 HD3 LYS 26 - HB2 LYS 31 far 15 100 15 - 2.1-9.6 HD3 LYS 31 - HB2 LYS 19 far 5 97 5 - 4.6-25.0 HD2 LYS 26 - HB2 LYS 31 lone 2 100 20 10 3.7-10.0 6348/809=6, 6335/6331=2 HD2 LYS 31 - HB2 LYS 19 far 0 97 0 - 5.2-25.0 HD2 LYS 31 - HB2 LYS 26 far 0 96 0 - 5.4-13.3 HD3 LYS 31 - HB2 LYS 26 far 0 96 0 - 6.1-13.8 HD2 LYS 86 - HB2 LYS 19 far 0 97 0 - 6.5-34.1 HD3 LYS 86 - HB2 LYS 19 far 0 97 0 - 7.1-35.0 HD2 LYS 19 - HB2 LYS 24 far 0 94 0 - 7.3-16.3 HD3 LYS 24 - HB2 LYS 19 far 0 97 0 - 7.9-15.5 HD3 LYS 26 - HB2 LYS 24 far 0 99 0 - 7.9-11.0 HD3 LYS 19 - HB2 LYS 31 far 0 97 0 - 8.2-24.6 HD2 LYS 24 - HB2 LYS 19 far 0 97 0 - 8.2-15.2 HD3 LYS 19 - HB2 LYS 24 far 0 94 0 - 8.2-16.3 HD2 LYS 36 - HB2 LYS 31 far 0 97 0 - 8.4-9.8 HD3 LYS 24 - HB2 LYS 26 far 0 96 0 - 8.4-11.9 HD2 LYS 26 - HB2 LYS 24 far 0 99 0 - 8.6-11.1 HD2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.8-21.3 HD2 LYS 19 - HB2 LYS 31 far 0 97 0 - 9.2-25.0 HD3 LYS 24 - HB2 LYS 31 far 0 100 0 - 9.4-20.4 HD2 LYS 24 - HB2 LYS 26 far 0 96 0 - 9.6-12.5 HD3 LYS 36 - HB2 LYS 31 far 0 97 0 - 9.7-11.4 HD3 LYS 31 - HB2 LYS 24 far 0 99 0 - 9.9-20.2 HD2 LYS 31 - HB2 LYS 24 far 0 99 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 807 from cnoeabs.peaks (2.96, 1.74, 32.78 ppm; 6.80 A): 8 out of 29 assignments used, quality = 1.00: * HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.4-5.5 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.0-5.1 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.2-5.4 5.1=100 HE3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.5-4.5 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 96 96 100 100 3.6-5.5 5.1=100 HE3 LYS 26 + HB2 LYS 26 OK 96 96 100 100 3.5-5.0 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 4.2-5.5 4.8=100 HE2 LYS 19 + HB2 LYS 19 OK 95 95 100 100 2.9-4.6 5.1=100 HE2 LYS 31 - HB2 LYS 19 far 5 97 5 - 7.3-27.4 HE3 LYS 31 - HB2 LYS 19 far 5 97 5 - 6.4-27.0 HE3 LYS 24 - HB2 LYS 19 far 5 97 5 - 6.8-15.7 HE2 LYS 31 - HB2 LYS 26 far 5 96 5 - 6.8-15.8 HE3 LYS 31 - HB2 LYS 26 far 5 96 5 - 6.6-15.7 HE3 LYS 26 - HB2 LYS 31 lone 2 100 25 8 4.4-12.1 6337/6331=2, 3.0/294=1 HE2 LYS 26 - HB2 LYS 31 lone 2 100 25 8 4.9-11.4 6338/6331=2, 3.0/294=1 HE3 LYS 26 - HB2 LYS 24 far 0 99 0 - 7.4-9.9 HE3 LYS 19 - HB2 LYS 24 far 0 99 0 - 7.5-17.7 HE2 LYS 24 - HB2 LYS 19 far 0 93 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 98 0 - 7.8-17.5 HE3 LYS 19 - HB2 LYS 31 far 0 100 0 - 7.9-25.8 HE3 LYS 86 - HB2 LYS 19 far 0 96 0 - 8.3-35.8 HE2 LYS 26 - HB2 LYS 24 far 0 99 0 - 8.3-10.9 HE2 LYS 24 - HB2 LYS 31 far 0 98 0 - 8.4-21.1 HE2 LYS 19 - HB2 LYS 31 far 0 99 0 - 8.4-24.2 HE3 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.4-11.9 HE3 LYS 26 - HB2 LYS 19 far 0 97 0 - 8.5-20.9 HE2 LYS 36 - HB2 LYS 31 far 0 99 0 - 8.8-11.9 HE2 LYS 26 - HB2 LYS 19 far 0 97 0 - 9.3-21.9 HE3 LYS 24 - HB2 LYS 31 far 0 100 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 808 from cnoeabs.peaks (2.97, 1.74, 32.78 ppm; 6.80 A): 8 out of 29 assignments used, quality = 1.00: * HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.0-5.1 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.4-5.5 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 98 98 100 100 2.2-5.4 5.1=100 HE3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.5-4.5 5.1=100 HE3 LYS 26 + HB2 LYS 26 OK 96 96 100 100 3.5-5.0 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 4.2-5.5 4.8=100 HE2 LYS 19 + HB2 LYS 19 OK 93 93 100 100 2.9-4.6 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 93 93 100 100 3.6-5.5 5.1=100 HE3 LYS 31 - HB2 LYS 19 far 5 97 5 - 6.4-27.0 HE2 LYS 31 - HB2 LYS 19 far 5 97 5 - 7.3-27.4 HE3 LYS 31 - HB2 LYS 26 far 5 96 5 - 6.6-15.7 HE2 LYS 31 - HB2 LYS 26 far 5 96 5 - 6.8-15.8 HE3 LYS 24 - HB2 LYS 19 far 5 95 5 - 6.8-15.7 HE3 LYS 26 - HB2 LYS 31 lone 2 100 25 8 4.4-12.1 6337/6331=2, 3.0/294=1 HE2 LYS 26 - HB2 LYS 31 lone 2 100 25 8 4.9-11.4 6338/6331=2, 3.0/294=1 HE3 LYS 26 - HB2 LYS 24 far 0 99 0 - 7.4-9.9 HE3 LYS 19 - HB2 LYS 24 far 0 99 0 - 7.5-17.7 HE2 LYS 24 - HB2 LYS 19 far 0 90 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 96 0 - 7.8-17.5 HE3 LYS 19 - HB2 LYS 31 far 0 100 0 - 7.9-25.8 HE3 LYS 86 - HB2 LYS 19 far 0 94 0 - 8.3-35.8 HE2 LYS 26 - HB2 LYS 24 far 0 99 0 - 8.3-10.9 HE2 LYS 24 - HB2 LYS 31 far 0 96 0 - 8.4-21.1 HE2 LYS 19 - HB2 LYS 31 far 0 98 0 - 8.4-24.2 HE3 LYS 36 - HB2 LYS 31 far 0 99 0 - 8.4-11.9 HE3 LYS 26 - HB2 LYS 19 far 0 97 0 - 8.5-20.9 HE2 LYS 36 - HB2 LYS 31 far 0 97 0 - 8.8-11.9 HE2 LYS 26 - HB2 LYS 19 far 0 97 0 - 9.3-21.9 HE3 LYS 24 - HB2 LYS 31 far 0 99 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 809 from cnoeabs.peaks (8.14, 1.74, 32.78 ppm; 4.07 A increased from 3.83 A): 1 out of 8 assignments used, quality = 1.00: * H ILE 32 + HB2 LYS 31 OK 100 100 100 100 3.8-4.1 6343=92, 6342/3.0=76...(9) H ILE 32 - HB2 LYS 26 far 5 96 5 - 4.5-8.7 H LEU 22 - HB2 LYS 24 far 0 97 0 - 5.1-8.6 H LEU 22 - HB2 LYS 19 far 0 94 0 - 5.7-7.5 H LEU 22 - HB2 LYS 31 far 0 99 0 - 6.0-19.7 H VAL 133 - HB2 LYS 39 far 0 34 0 - 6.7-8.6 H ILE 32 - HB2 LYS 24 far 0 99 0 - 9.3-16.5 H ALA 15 - HB2 LYS 19 far 0 97 0 - 9.5-14.9 Violated in 1 structures by 0.00 A. Peak 810 from cnoeabs.peaks (8.23, 1.81, 32.78 ppm; 3.08 A): 1 out of 21 assignments used, quality = 1.00: * H LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.5-2.9 6332=100, 6331/1.8=72...(50) H LYS 31 - HB3 LYS 26 far 14 96 15 - 2.4-8.3 H ALA 29 - HB3 LYS 26 poor 9 85 45 23 2.9-7.9 4.6/10769=11, 934/929=4...(6) H GLU 30 - HB3 LYS 26 far 5 54 10 - 3.4-7.3 H ARG 23 - HB3 LYS 31 far 0 96 0 - 4.1-20.2 H SER 33 - HB2 LYS 36 far 0 98 0 - 4.5-6.6 H GLU 30 - HB3 LYS 31 far 0 60 0 - 5.4-6.3 H ARG 23 - HB3 LYS 24 far 0 94 0 - 5.5-7.2 H SER 33 - HB3 LYS 26 far 0 96 0 - 5.8-7.9 H ARG 23 - HB3 LYS 19 far 0 96 0 - 5.8-8.7 H LYS 31 - HB3 LYS 19 far 0 100 0 - 7.1-23.0 H ALA 29 - HB3 LYS 31 far 0 92 0 - 7.2-8.7 H SER 33 - HB3 LYS 31 far 0 100 0 - 7.7-7.9 H ALA 29 - HB2 LYS 36 far 0 87 0 - 8.5-11.0 H GLU 30 - HB2 LYS 36 far 0 56 0 - 8.9-11.0 H LYS 31 - HB2 LYS 36 far 0 98 0 - 9.0-10.6 H ALA 29 - HB3 LYS 24 far 0 90 0 - 9.5-15.7 H LYS 31 - HB3 LYS 24 far 0 100 0 - 9.6-17.5 H GLU 30 - HB3 LYS 19 far 0 60 0 - 9.6-24.8 H GLU 30 - HB3 LYS 24 far 0 59 0 - 9.8-16.4 H SER 33 - HB3 LYS 24 far 0 100 0 - 10.0-15.8 Violated in 0 structures by 0.00 A. Peak 811 from cnoeabs.peaks (4.28, 1.81, 32.78 ppm; 3.30 A): 5 out of 50 assignments used, quality = 1.00: * HA LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.5-2.6 3.0=100 HA LYS 36 + HB2 LYS 36 OK 98 98 100 100 2.2-2.9 3.0=100 HA LYS 19 + HB3 LYS 19 OK 97 97 100 100 2.5-2.7 3.0=100 HA LYS 26 + HB3 LYS 26 OK 93 93 100 100 2.3-3.0 3.0=100 HA PHE 87 + HB2 LYS 86 OK 34 61 60 93 3.8-5.6 2.9/7156=36, ~7157=27...(17) HA THR 25 - HB3 LYS 24 far 0 92 0 - 4.0-5.1 HA ARG 23 - HB3 LYS 31 far 0 98 0 - 4.2-18.0 HA LYS 26 - HB3 LYS 31 far 0 99 0 - 4.5-12.4 HA LYS 31 - HB3 LYS 26 far 0 96 0 - 4.5-10.2 HA ALA 21 - HB3 LYS 24 far 0 93 0 - 4.9-10.5 HA ARG 23 - HB3 LYS 24 far 0 97 0 - 5.0-6.4 HA THR 25 - HB3 LYS 26 far 0 86 0 - 5.0-5.9 HA LEU 22 - HB3 LYS 24 far 0 97 0 - 5.3-7.5 HA ARG 23 - HB3 LYS 19 far 0 98 0 - 5.5-10.2 HA LYS 19 - HB3 LYS 24 far 0 96 0 - 5.5-13.9 HA LYS 31 - HB3 LYS 19 far 0 100 0 - 5.6-24.7 HA ARG 84 - HB2 LYS 86 far 0 34 0 - 5.6-6.3 HA LYS 19 - HB3 LYS 31 far 0 97 0 - 5.7-24.3 HA ALA 16 - HB3 LYS 19 far 0 100 0 - 5.7-10.7 HA SER 74 - HB3 LYS 19 far 0 93 0 - 5.9-33.4 HA THR 25 - HB3 LYS 19 far 0 93 0 - 6.3-15.9 HA ALA 12 - HB3 LYS 19 far 0 99 0 - 6.3-23.2 HA THR 18 - HB3 LYS 19 far 0 92 0 - 6.4-6.6 HA ALA 15 - HB3 LYS 19 far 0 99 0 - 6.5-13.8 HA LYS 26 - HB3 LYS 24 far 0 98 0 - 6.7-8.2 HA ALA 21 - HB2 LYS 86 far 0 60 0 - 7.1-31.4 HA ALA 21 - HB3 LYS 19 far 0 94 0 - 7.2-8.0 HA SER 74 - HB3 LYS 24 far 0 92 0 - 7.3-23.2 HA THR 18 - HB2 LYS 86 far 0 57 0 - 7.4-35.1 HA LEU 22 - HB3 LYS 31 far 0 98 0 - 7.4-21.9 HA THR 25 - HB3 LYS 31 far 0 93 0 - 7.6-16.2 HA LEU 22 - HB3 LYS 19 far 0 98 0 - 7.6-9.6 HA LYS 26 - HB3 LYS 19 far 0 99 0 - 7.7-15.6 HA LYS 31 - HB2 LYS 36 far 0 98 0 - 7.8-9.5 HA ARG 23 - HB3 LYS 26 far 0 92 0 - 8.1-10.1 HA LEU 22 - HB3 LYS 26 far 0 92 0 - 8.2-13.9 HA ALA 16 - HB2 LYS 86 far 0 68 0 - 8.3-40.6 HA ALA 21 - HB3 LYS 31 far 0 95 0 - 8.4-23.5 HA SER 74 - HB2 LYS 86 far 0 58 0 - 8.4-10.0 HA LYS 36 - HB3 LYS 26 far 0 96 0 - 8.7-14.1 HA THR 25 - HB2 LYS 36 far 0 89 0 - 9.0-16.2 HA ALA 15 - HB2 LYS 86 far 0 65 0 - 9.0-41.5 HA THR 18 - HB3 LYS 24 far 0 90 0 - 9.0-14.7 HA ALA 12 - HB3 LYS 31 far 0 99 0 - 9.4-38.7 HA LYS 26 - HB2 LYS 36 far 0 95 0 - 9.4-16.2 HA THR 18 - HB3 LYS 31 far 0 92 0 - 9.5-26.0 HA ALA 16 - HB3 LYS 31 far 0 100 0 - 9.6-28.5 HA ALA 12 - HB2 LYS 86 far 0 65 0 - 9.6-40.8 HA PHE 87 - HB3 LYS 19 far 0 96 0 - 9.8-38.8 HA LEU 22 - HB2 LYS 86 far 0 64 0 - 9.9-28.1 Violated in 0 structures by 0.00 A. Peak 812 from cnoeabs.peaks (1.74, 1.81, 32.78 ppm; 2.50 A): 4 out of 28 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 far 7 66 10 - 3.0-5.2 HB2 LYS 31 - HB3 LYS 26 far 5 96 5 - 2.8-9.8 HB2 LYS 26 - HB3 LYS 31 far 0 99 0 - 3.3-12.5 HB2 ARG 23 - HB3 LYS 19 far 0 96 0 - 4.0-9.5 HB2 LYS 24 - HB3 LYS 19 far 0 100 0 - 4.2-14.4 HG3 ARG 90 - HB2 LYS 86 far 0 62 0 - 4.4-7.4 HB2 ARG 23 - HB3 LYS 31 far 0 96 0 - 5.4-20.0 HB2 LYS 31 - HB3 LYS 19 far 0 100 0 - 6.3-22.1 HB2 ARG 23 - HB3 LYS 24 far 0 94 0 - 6.3-7.9 HB2 LYS 19 - HB3 LYS 31 far 0 99 0 - 6.5-25.3 HB2 LYS 19 - HB3 LYS 24 far 0 98 0 - 6.6-15.6 HG3 ARG 90 - HB3 LYS 19 far 0 97 0 - 7.1-35.7 HB2 LYS 24 - HB3 LYS 31 far 0 100 0 - 7.9-19.1 HB2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.9-18.7 HB2 LYS 26 - HB3 LYS 24 far 0 98 0 - 8.1-9.9 HB ILE 80 - HB3 LYS 19 far 0 99 0 - 8.3-34.8 HB2 LYS 26 - HB2 LYS 36 far 0 96 0 - 8.3-14.6 HB2 LYS 24 - HB3 LYS 26 far 0 95 0 - 8.6-10.2 HB2 ARG 23 - HB3 LYS 26 far 0 89 0 - 8.8-12.3 HB3 LEU 70 - HB3 LYS 24 far 0 59 0 - 9.0-28.8 HB2 LYS 31 - HB2 LYS 36 far 0 98 0 - 9.1-11.4 HB2 ARG 23 - HB2 LYS 86 far 0 61 0 - 9.5-29.3 HB2 LYS 19 - HB2 LYS 86 far 0 66 0 - 9.5-37.3 HB2 LYS 26 - HB3 LYS 19 far 0 99 0 - 9.7-17.7 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): 7 out of 31 assignments used, quality = 1.00: * HG2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.2-2.2 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.4-2.7 2.9=100 HG2 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.3-3.0 3.0=100 HG3 LYS 36 + HB2 LYS 36 OK 66 66 100 100 2.2-2.9 3.0=100 HG2 LYS 86 + HB2 LYS 86 OK 48 48 100 100 2.3-2.7 3.0=100 HG13 ILE 32 + HB3 LYS 26 OK 32 96 40 84 3.2-5.7 1.8/913=25, 2.1/929=22...(20) HG2 LYS 26 - HB3 LYS 31 far 10 98 10 - 3.5-12.8 HG2 LYS 31 - HB3 LYS 26 far 0 96 0 - 5.1-12.2 QB ALA 34 - HB2 LYS 36 far 0 71 0 - 5.4-6.8 HG13 ILE 32 - HB3 LYS 31 far 0 100 0 - 5.5-6.8 HG2 LYS 31 - HB3 LYS 19 far 0 100 0 - 5.6-22.9 HG3 LYS 24 - HB3 LYS 19 far 0 100 0 - 5.6-13.8 QB ALA 34 - HB3 LYS 26 far 0 69 0 - 6.0-8.6 HG3 LYS 19 - HB3 LYS 31 far 0 100 0 - 6.3-24.1 QB ALA 34 - HB3 LYS 19 far 0 76 0 - 6.8-21.7 QB ALA 34 - HB3 LYS 24 far 0 74 0 - 7.1-14.4 HG13 ILE 32 - HB2 LYS 36 far 0 98 0 - 7.2-9.3 HG2 LYS 26 - HB3 LYS 24 far 0 97 0 - 7.5-10.2 HG3 LYS 19 - HB2 LYS 86 far 0 68 0 - 7.6-37.3 HG3 LYS 19 - HB3 LYS 24 far 0 99 0 - 7.9-15.5 HG2 LYS 86 - HB3 LYS 19 far 0 81 0 - 8.2-35.0 HG2 LYS 26 - HB2 LYS 36 far 0 95 0 - 8.3-12.6 HG3 LYS 24 - HB3 LYS 31 far 0 100 0 - 8.8-21.0 HG2 LYS 31 - HB2 LYS 36 far 0 98 0 - 9.0-11.1 QB ALA 92 - HB2 LYS 86 far 0 61 0 - 9.0-9.9 HG2 LYS 31 - HB3 LYS 24 far 0 100 0 - 9.1-21.2 QB ALA 34 - HB3 LYS 31 far 0 76 0 - 9.3-10.0 HG2 LYS 26 - HB3 LYS 19 far 0 98 0 - 9.5-18.7 HG3 LYS 19 - HB3 LYS 26 far 0 96 0 - 9.9-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 99 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 815 from cnoeabs.peaks (1.39, 1.81, 32.78 ppm; 3.50 A): 5 out of 36 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 2.4-3.0 2.9=100 HG2 LYS 36 + HB2 LYS 36 OK 94 94 100 100 2.7-2.9 3.0=100 HG3 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.5-3.0 3.0=100 HG2 LYS 19 + HB3 LYS 19 OK 68 68 100 100 2.7-2.8 3.0=100 QB ALA 28 - HB3 LYS 26 far 9 94 10 - 3.7-6.5 QB ALA 29 - HB3 LYS 26 far 5 91 5 - 4.0-7.6 HG3 LYS 31 - HB3 LYS 19 far 0 100 0 - 4.5-24.5 QB ALA 29 - HB2 LYS 36 far 0 94 0 - 5.0-8.1 HG3 LYS 31 - HB3 LYS 26 far 0 96 0 - 5.1-11.5 QB ALA 15 - HB3 LYS 19 far 0 99 0 - 5.1-12.8 HG3 LYS 26 - HB3 LYS 31 far 0 98 0 - 5.2-13.1 QB ALA 34 - HB2 LYS 36 far 0 59 0 - 5.4-6.8 HG2 LYS 24 - HB3 LYS 19 far 0 97 0 - 5.9-12.2 QB ALA 34 - HB3 LYS 26 far 0 56 0 - 6.0-8.6 QB ALA 28 - HB3 LYS 31 far 0 99 0 - 6.3-7.6 QB ALA 28 - HB3 LYS 24 far 0 98 0 - 6.4-12.7 QB ALA 16 - HB3 LYS 31 far 0 93 0 - 6.4-24.2 QB ALA 16 - HB3 LYS 19 far 0 93 0 - 6.6-10.0 QB ALA 15 - HB2 LYS 86 far 0 65 0 - 6.7-33.6 HG2 LYS 19 - HB3 LYS 31 far 0 68 0 - 6.7-24.1 QB ALA 34 - HB3 LYS 19 far 0 63 0 - 6.8-21.7 QB ALA 29 - HB3 LYS 31 far 0 97 0 - 7.0-7.7 QB ALA 34 - HB3 LYS 24 far 0 61 0 - 7.1-14.4 HG3 LYS 31 - HB2 LYS 36 far 0 98 0 - 7.5-12.4 HG3 LYS 26 - HB3 LYS 24 far 0 97 0 - 7.5-8.6 HG2 LYS 24 - HB3 LYS 31 far 0 97 0 - 7.8-20.3 QB ALA 29 - HB3 LYS 24 far 0 96 0 - 7.8-14.9 HG3 LYS 26 - HB3 LYS 19 far 0 98 0 - 7.9-18.0 HG2 LYS 19 - HB3 LYS 24 far 0 67 0 - 8.1-14.8 HG3 LYS 26 - HB2 LYS 36 far 0 95 0 - 8.6-13.7 HG2 LYS 19 - HB2 LYS 86 far 0 39 0 - 8.6-36.4 HG3 LYS 31 - HB3 LYS 24 far 0 100 0 - 8.9-20.1 QB ALA 16 - HB2 LYS 86 far 0 58 0 - 8.9-35.5 QB ALA 34 - HB3 LYS 31 far 0 63 0 - 9.3-10.0 QB ALA 28 - HB2 LYS 36 far 0 96 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 816 from cnoeabs.peaks (1.66, 1.81, 32.78 ppm; 3.94 A): 12 out of 43 assignments used, quality = 1.00: * HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-3.8 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-4.1 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.1-3.7 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.0-3.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.0-3.3 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 95 96 100 100 3.3-4.2 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 95 96 100 100 3.5-4.1 3.9=100 HD2 LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.0-3.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 95 95 100 100 3.0-4.0 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 68 68 100 100 2.5-2.9 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 68 68 100 100 3.5-3.8 3.5=100 HD3 LYS 26 - HB3 LYS 31 far 10 100 10 - 3.5-10.7 HD3 LYS 31 - HB3 LYS 19 far 5 100 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 19 far 5 100 5 - 3.4-23.3 HD2 LYS 26 - HB3 LYS 31 far 0 100 0 - 4.7-11.2 HD2 LYS 31 - HB3 LYS 26 far 0 96 0 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 98 0 - 6.1-12.6 QB ALA 88 - HB2 LYS 86 far 0 68 0 - 6.3-6.9 HD2 LYS 26 - HB2 LYS 36 far 0 98 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 100 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 96 0 - 6.8-12.2 HG2 ARG 84 - HB2 LYS 86 far 0 43 0 - 7.2-8.5 HD3 LYS 86 - HB3 LYS 19 far 0 100 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 96 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 98 0 - 8.1-12.5 HG3 ARG 84 - HB2 LYS 86 far 0 43 0 - 8.2-9.7 HD2 LYS 31 - HB2 LYS 36 far 0 98 0 - 8.3-12.3 HD3 LYS 19 - HB2 LYS 86 far 0 61 0 - 8.4-38.5 HD2 LYS 19 - HB3 LYS 31 far 0 96 0 - 8.4-26.6 HD3 LYS 26 - HB3 LYS 24 far 0 99 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 94 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 98 0 - 9.3-10.5 HD2 LYS 19 - HB2 LYS 86 far 0 61 0 - 9.3-38.4 HD3 LYS 24 - HB3 LYS 26 far 0 96 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 100 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 100 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 92 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 94 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 817 from cnoeabs.peaks (1.66, 1.81, 32.78 ppm; 3.94 A): 12 out of 43 assignments used, quality = 1.00: * HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-4.1 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-3.8 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.1-3.7 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 96 97 100 100 3.3-4.2 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 96 97 100 100 3.5-4.1 3.9=100 HD2 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.0-3.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.0-3.3 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 94 94 100 100 2.0-3.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 94 94 100 100 3.0-4.0 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 68 68 100 100 2.5-2.9 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 68 68 100 100 3.5-3.8 3.5=100 HD3 LYS 26 - HB3 LYS 31 far 10 100 10 - 3.5-10.7 HD3 LYS 31 - HB3 LYS 19 far 5 100 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 19 far 5 100 5 - 3.4-23.3 HD2 LYS 26 - HB3 LYS 31 far 0 100 0 - 4.7-11.2 HD2 LYS 31 - HB3 LYS 26 far 0 96 0 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 98 0 - 6.1-12.6 QB ALA 88 - HB2 LYS 86 far 0 68 0 - 6.3-6.9 HD2 LYS 26 - HB2 LYS 36 far 0 98 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 100 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 96 0 - 6.8-12.2 HG2 ARG 84 - HB2 LYS 86 far 0 44 0 - 7.2-8.5 HD3 LYS 86 - HB3 LYS 19 far 0 100 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 97 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 98 0 - 8.1-12.5 HG3 ARG 84 - HB2 LYS 86 far 0 44 0 - 8.2-9.7 HD2 LYS 31 - HB2 LYS 36 far 0 98 0 - 8.3-12.3 HD3 LYS 19 - HB2 LYS 86 far 0 62 0 - 8.4-38.5 HD2 LYS 19 - HB3 LYS 31 far 0 97 0 - 8.4-26.6 HD3 LYS 26 - HB3 LYS 24 far 0 99 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 95 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 97 0 - 9.3-10.5 HD2 LYS 19 - HB2 LYS 86 far 0 62 0 - 9.3-38.4 HD3 LYS 24 - HB3 LYS 26 far 0 96 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 100 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 100 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 91 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 95 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 818 from cnoeabs.peaks (2.96, 1.81, 32.78 ppm; 6.80 A): 11 out of 37 assignments used, quality = 1.00: * HE2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-5.3 4.8=100 HE3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.2-5.4 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-5.0 4.8=100 HE2 LYS 19 + HB3 LYS 19 OK 99 99 100 100 3.3-5.4 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.4-4.6 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 98 98 100 100 2.8-4.2 4.9=100 HE2 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.0-5.0 5.1=100 HE2 LYS 36 + HB2 LYS 36 OK 96 96 100 100 3.5-4.5 4.9=100 HE2 LYS 26 + HB3 LYS 26 OK 96 96 100 100 3.6-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 96 96 100 100 3.7-4.6 4.8=100 HE3 LYS 86 + HB2 LYS 86 OK 67 67 100 100 1.8-3.6 4.9=100 HE3 LYS 26 - HB3 LYS 31 far 15 100 15 - 6.0-13.3 HE2 LYS 26 - HB3 LYS 31 far 15 100 15 - 6.3-12.4 HE2 LYS 26 - HB2 LYS 36 far 10 98 10 - 5.4-11.8 HE3 LYS 31 - HB3 LYS 19 far 5 100 5 - 4.9-25.2 HE2 LYS 31 - HB3 LYS 19 far 5 100 5 - 5.6-25.7 HE3 LYS 24 - HB3 LYS 19 far 5 100 5 - 5.6-14.9 HE3 LYS 26 - HB3 LYS 19 far 5 100 5 - 7.3-19.5 HE3 LYS 86 - HB3 LYS 19 far 5 100 5 - 6.9-34.7 HE2 LYS 24 - HB3 LYS 19 far 5 98 5 - 6.7-14.4 HE3 LYS 26 - HB2 LYS 36 far 5 98 5 - 7.1-12.9 HE2 LYS 31 - HB3 LYS 26 far 5 96 5 - 6.8-14.2 HE3 LYS 31 - HB3 LYS 26 far 5 96 5 - 6.5-14.0 HE3 LYS 19 - HB2 LYS 86 far 3 68 5 - 7.1-39.5 HE3 LYS 26 - HB3 LYS 24 far 0 99 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 98 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 100 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 100 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 99 0 - 8.2-25.8 HE2 LYS 19 - HB2 LYS 86 far 0 66 0 - 8.2-39.5 HE2 LYS 26 - HB3 LYS 24 far 0 99 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 98 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 100 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 100 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 99 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 98 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 819 from cnoeabs.peaks (2.97, 1.81, 32.78 ppm; 6.80 A): 11 out of 37 assignments used, quality = 1.00: * HE3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-5.0 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-5.3 4.8=100 HE3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.2-5.4 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.4-4.6 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 98 98 100 100 3.3-5.4 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 96 96 100 100 2.8-4.2 4.9=100 HE2 LYS 26 + HB3 LYS 26 OK 96 96 100 100 3.6-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 96 96 100 100 3.7-4.6 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 94 94 100 100 2.0-5.0 5.1=100 HE2 LYS 36 + HB2 LYS 36 OK 94 94 100 100 3.5-4.5 4.9=100 HE3 LYS 86 + HB2 LYS 86 OK 65 65 100 100 1.8-3.6 4.9=100 HE3 LYS 26 - HB3 LYS 31 far 15 100 15 - 6.0-13.3 HE2 LYS 26 - HB3 LYS 31 far 15 100 15 - 6.3-12.4 HE2 LYS 26 - HB2 LYS 36 far 10 98 10 - 5.4-11.8 HE3 LYS 31 - HB3 LYS 19 far 5 100 5 - 4.9-25.2 HE2 LYS 31 - HB3 LYS 19 far 5 100 5 - 5.6-25.7 HE3 LYS 26 - HB3 LYS 19 far 5 100 5 - 7.3-19.5 HE3 LYS 24 - HB3 LYS 19 far 5 99 5 - 5.6-14.9 HE3 LYS 86 - HB3 LYS 19 far 5 99 5 - 6.9-34.7 HE3 LYS 26 - HB2 LYS 36 far 5 98 5 - 7.1-12.9 HE3 LYS 31 - HB3 LYS 26 far 5 96 5 - 6.5-14.0 HE2 LYS 24 - HB3 LYS 19 far 5 96 5 - 6.7-14.4 HE2 LYS 31 - HB3 LYS 26 far 5 96 5 - 6.8-14.2 HE3 LYS 19 - HB2 LYS 86 far 3 68 5 - 7.1-39.5 HE3 LYS 26 - HB3 LYS 24 far 0 100 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 98 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 100 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 100 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 98 0 - 8.2-25.8 HE2 LYS 19 - HB2 LYS 86 far 0 64 0 - 8.2-39.5 HE2 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 98 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 99 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 97 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 96 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 97 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 820 from cnoeabs.peaks (8.14, 1.81, 32.78 ppm; 3.95 A): 2 out of 14 assignments used, quality = 1.00: * H ILE 32 + HB3 LYS 31 OK 99 100 100 99 4.3-4.5 6342/3.0=73, 809/1.8=72...(9) H PHE 87 + HB2 LYS 86 OK 42 43 100 98 2.4-3.7 4.6=64, 7157/1.8=49...(16) H ILE 32 - HB3 LYS 26 far 14 96 15 - 3.1-7.3 H LEU 22 - HB3 LYS 19 far 0 99 0 - 5.1-6.7 H LEU 22 - HB3 LYS 31 far 0 99 0 - 6.1-21.1 H ILE 32 - HB2 LYS 36 far 0 98 0 - 6.4-8.2 H LEU 22 - HB3 LYS 24 far 0 98 0 - 6.4-9.0 H GLU 91 - HB2 LYS 86 far 0 57 0 - 6.6-8.5 H ALA 15 - HB2 LYS 86 far 0 68 0 - 7.8-38.7 H ILE 32 - HB3 LYS 19 far 0 100 0 - 8.5-23.5 H ALA 15 - HB3 LYS 19 far 0 100 0 - 8.8-15.2 H ASP 71 - HB3 LYS 24 far 0 99 0 - 9.2-26.4 H LEU 22 - HB2 LYS 86 far 0 65 0 - 9.6-30.6 H VAL 133 - HB2 LYS 86 far 0 67 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 821 from cnoeabs.peaks (8.23, 1.44, 24.73 ppm; 5.05 A): 2 out of 15 assignments used, quality = 1.00: * H LYS 31 + HG2 LYS 31 OK 100 100 100 100 4.4-4.9 5.0=100 H ARG 23 + HG3 LYS 24 OK 55 91 65 94 4.3-7.2 6211/6223=79, 832/1.8=33...(18) H LYS 31 - HG2 LYS 26 poor 17 83 20 - 3.3-10.4 H SER 33 - HG2 LYS 26 poor 17 83 20 - 4.4-8.6 H ALA 29 - HG2 LYS 26 poor 14 71 20 - 2.7-8.7 H ARG 23 - HG2 LYS 31 far 5 96 5 - 3.5-20.8 H GLU 30 - HG2 LYS 26 far 2 43 5 - 5.3-8.7 H SER 33 - HG2 LYS 31 far 0 100 0 - 6.3-8.0 H GLU 30 - HG2 LYS 31 far 0 60 0 - 7.3-8.6 H ARG 23 - HG3 LYS 19 far 0 92 0 - 7.3-9.5 H ARG 23 - HG2 LYS 26 far 0 76 0 - 7.8-12.0 H LYS 31 - HG3 LYS 19 far 0 98 0 - 8.4-23.5 H ALA 29 - HG2 LYS 31 far 0 92 0 - 8.6-10.7 H LYS 31 - HG3 LYS 24 far 0 97 0 - 9.7-18.6 H SER 33 - HG3 LYS 24 far 0 97 0 - 9.9-17.7 Violated in 0 structures by 0.00 A. Peak 822 from cnoeabs.peaks (4.28, 1.44, 24.73 ppm; 5.78 A): 6 out of 37 assignments used, quality = 1.00: * HA LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.7 3.8=100 HA LYS 19 + HG3 LYS 19 OK 94 94 100 100 4.2-4.2 4.2=100 HA LYS 26 + HG2 LYS 26 OK 80 80 100 100 2.9-4.2 4.0=100 HA ARG 23 + HG3 LYS 24 OK 78 94 85 98 4.8-6.7 424/6223=94, 2.9/821=30...(13) HA LEU 22 + HG3 LYS 24 OK 74 94 90 88 3.6-7.2 ~1309=27, 375/821=27...(12) HA THR 25 + HG2 LYS 26 OK 73 73 100 100 3.4-5.7 3.6/6252=91...(12) HA ALA 16 - HG3 LYS 19 poor 20 98 20 - 4.0-9.6 HA ALA 21 - HG3 LYS 24 poor 18 90 20 - 5.0-10.5 HA LYS 31 - HG2 LYS 26 poor 17 83 20 - 5.1-11.8 HA ARG 23 - HG2 LYS 31 far 5 98 5 - 3.0-18.6 HA LYS 31 - HG3 LYS 19 far 5 98 5 - 6.2-25.0 HA LYS 19 - HG2 LYS 31 far 5 97 5 - 6.3-23.8 HA ALA 15 - HG3 LYS 19 far 5 95 5 - 4.4-13.1 HA ALA 12 - HG3 LYS 19 far 5 95 5 - 5.5-22.9 HA LYS 19 - HG3 LYS 24 far 5 93 5 - 4.3-12.8 HA SER 74 - HG3 LYS 19 far 4 89 5 - 5.1-34.0 HA THR 25 - HG3 LYS 24 far 4 88 5 - 6.4-6.9 HA THR 18 - HG3 LYS 19 far 0 87 0 - 6.4-6.9 HA LYS 26 - HG2 LYS 31 far 0 99 0 - 6.5-13.6 HA ARG 23 - HG2 LYS 26 far 0 79 0 - 6.6-11.4 HA ALA 21 - HG2 LYS 31 far 0 95 0 - 6.7-24.0 HA LEU 22 - HG2 LYS 31 far 0 98 0 - 7.0-21.4 HA ALA 12 - HG2 LYS 31 far 0 99 0 - 7.1-37.0 HA ARG 23 - HG3 LYS 19 far 0 94 0 - 7.2-11.5 HA THR 25 - HG3 LYS 19 far 0 89 0 - 7.7-16.4 HA ALA 21 - HG3 LYS 19 far 0 90 0 - 7.8-8.4 HA LYS 26 - HG3 LYS 19 far 0 95 0 - 7.8-16.3 HA PHE 87 - HG3 LYS 19 far 0 92 0 - 8.0-39.9 HA LYS 36 - HG2 LYS 26 far 0 83 0 - 8.1-13.8 HA THR 18 - HG3 LYS 24 far 0 87 0 - 8.1-14.4 HA LYS 26 - HG3 LYS 24 far 0 95 0 - 8.4-9.7 HA THR 25 - HG2 LYS 31 far 0 93 0 - 8.5-17.3 HA THR 18 - HG2 LYS 31 far 0 92 0 - 8.8-25.6 HA LEU 22 - HG3 LYS 19 far 0 94 0 - 9.1-10.5 HA LEU 22 - HG2 LYS 26 far 0 79 0 - 9.1-14.4 HA ALA 16 - HG2 LYS 31 far 0 100 0 - 9.2-27.3 HA SER 74 - HG3 LYS 24 far 0 88 0 - 9.4-24.1 Violated in 0 structures by 0.00 A. Peak 823 from cnoeabs.peaks (1.74, 1.44, 24.73 ppm; 5.08 A): 4 out of 22 assignments used, quality = 1.00: * HB2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-2.9 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 2.7-2.8 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 poor 17 83 20 - 2.4-11.6 HB2 ARG 23 - HG3 LYS 24 far 9 91 10 - 4.8-8.2 HB2 LYS 26 - HG2 LYS 31 far 5 99 5 - 4.5-14.0 HB2 ARG 23 - HG2 LYS 31 far 5 96 5 - 3.0-20.5 HG3 ARG 90 - HG3 LYS 19 far 5 93 5 - 5.3-36.6 HB2 ARG 23 - HG3 LYS 19 far 0 92 0 - 5.8-11.0 HB2 ARG 23 - HG2 LYS 26 far 0 76 0 - 6.1-13.4 HB2 LYS 19 - HG3 LYS 24 far 0 95 0 - 6.1-14.5 HB2 LYS 24 - HG3 LYS 19 far 0 97 0 - 6.3-15.3 HB2 LYS 31 - HG3 LYS 19 far 0 98 0 - 6.6-22.5 HB2 LYS 19 - HG2 LYS 31 far 0 99 0 - 7.2-24.6 HB2 LYS 24 - HG2 LYS 26 far 0 82 0 - 7.3-9.8 HB2 LYS 31 - HG3 LYS 24 far 0 97 0 - 7.4-19.6 HB2 LYS 24 - HG2 LYS 31 far 0 100 0 - 8.1-20.1 HB ILE 80 - HG3 LYS 19 far 0 96 0 - 8.2-35.9 HB2 LYS 26 - HG3 LYS 19 far 0 96 0 - 9.5-17.7 HB3 LEU 70 - HG3 LYS 24 far 0 55 0 - 10.0-29.7 HB2 LYS 26 - HG3 LYS 24 far 0 95 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 824 from cnoeabs.peaks (1.81, 1.44, 24.73 ppm; 4.48 A): 4 out of 28 assignments used, quality = 1.00: * HB3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 19 + HG3 LYS 19 OK 98 98 100 100 2.2-2.2 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 97 97 100 100 2.4-2.7 2.9=100 HB3 LYS 26 + HG2 LYS 26 OK 81 81 100 100 2.3-3.0 3.0=100 HB3 LYS 31 - HG2 LYS 26 far 12 83 15 - 3.5-12.8 HB3 ARG 23 - HG3 LYS 24 far 9 92 10 - 4.3-7.9 HB3 ARG 23 - HG2 LYS 31 far 5 97 5 - 4.5-21.6 HB ILE 32 - HG2 LYS 26 far 4 81 5 - 5.1-7.5 HB3 ARG 23 - HG2 LYS 26 far 4 77 5 - 4.5-13.3 HB3 LYS 26 - HG2 LYS 31 far 0 99 0 - 5.1-12.2 HB3 LYS 19 - HG2 LYS 31 far 0 100 0 - 5.6-22.9 HB3 LYS 19 - HG3 LYS 24 far 0 97 0 - 5.6-13.8 HB3 LYS 31 - HG3 LYS 19 far 0 98 0 - 6.3-24.1 HB ILE 32 - HG2 LYS 31 far 0 99 0 - 6.8-8.1 HB3 ARG 23 - HG3 LYS 19 far 0 93 0 - 7.1-11.4 HB3 LYS 24 - HG2 LYS 26 far 0 83 0 - 7.5-10.2 HB2 LYS 86 - HG3 LYS 19 far 0 84 0 - 7.6-37.3 HB3 LYS 24 - HG3 LYS 19 far 0 98 0 - 7.9-15.5 HB2 CYS 79 - HG3 LYS 24 far 0 60 0 - 8.1-24.5 HB2 LYS 36 - HG2 LYS 26 far 0 82 0 - 8.3-12.6 HB2 CYS 79 - HG3 LYS 19 far 0 61 0 - 8.4-32.1 HB VAL 93 - HG3 LYS 19 far 0 86 0 - 8.6-39.5 HB3 LYS 31 - HG3 LYS 24 far 0 97 0 - 8.8-21.0 HB2 LYS 36 - HG2 LYS 31 far 0 100 0 - 9.0-11.1 HB3 LYS 24 - HG2 LYS 31 far 0 100 0 - 9.1-21.2 HB2 CYS 79 - HG2 LYS 26 far 0 48 0 - 9.3-16.4 HB3 LYS 19 - HG2 LYS 26 far 0 83 0 - 9.5-18.7 HB3 LYS 26 - HG3 LYS 19 far 0 96 0 - 9.9-18.0 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 29 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 29 - HG2 LYS 26 far 4 78 5 - 3.0-8.2 QB ALA 15 - HG3 LYS 19 far 0 95 0 - 3.8-11.7 QB ALA 34 - HG2 LYS 26 far 0 46 0 - 4.0-8.5 HG3 LYS 31 - HG2 LYS 26 far 0 83 0 - 4.7-13.7 QB ALA 16 - HG3 LYS 19 far 0 89 0 - 4.9-8.8 QB ALA 28 - HG2 LYS 26 far 0 81 0 - 5.0-8.7 HG3 LYS 31 - HG3 LYS 19 far 0 98 0 - 5.7-24.8 HG3 LYS 26 - HG2 LYS 31 far 0 98 0 - 5.9-14.2 QB ALA 16 - HG2 LYS 31 far 0 93 0 - 6.1-23.6 HG2 LYS 19 - HG2 LYS 31 far 0 68 0 - 6.2-23.2 QB ALA 28 - HG3 LYS 24 far 0 95 0 - 6.3-14.2 HG2 LYS 24 - HG2 LYS 31 far 0 97 0 - 7.5-21.3 HG2 LYS 19 - HG3 LYS 24 far 0 63 0 - 7.6-13.9 HG3 LYS 31 - HG3 LYS 24 far 0 97 0 - 7.7-21.4 QB ALA 34 - HG3 LYS 24 far 0 58 0 - 7.8-15.6 QB ALA 29 - HG2 LYS 31 far 0 97 0 - 7.9-9.1 QB ALA 34 - HG3 LYS 19 far 0 59 0 - 7.9-22.3 HG2 LYS 24 - HG3 LYS 19 far 0 93 0 - 8.0-13.2 QB ALA 34 - HG2 LYS 31 far 0 63 0 - 8.1-9.8 QB ALA 28 - HG2 LYS 31 far 0 99 0 - 8.2-9.6 HG3 LYS 26 - HG3 LYS 19 far 0 94 0 - 8.4-18.3 HG2 LYS 24 - HG2 LYS 26 far 0 77 0 - 9.0-11.7 HG3 LYS 26 - HG3 LYS 24 far 0 94 0 - 9.1-10.6 QB ALA 15 - HG2 LYS 26 far 0 80 0 - 9.1-21.9 QB ALA 29 - HG3 LYS 24 far 0 93 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 827 from cnoeabs.peaks (1.66, 1.44, 24.73 ppm; 5.04 A): 8 out of 32 assignments used, quality = 1.00: * HD2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 92 92 100 100 2.3-2.8 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 92 92 100 100 2.9-3.0 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 2.2-3.0 2.9=100 HD3 LYS 26 - HG2 LYS 31 far 10 100 10 - 4.0-11.7 HD2 LYS 31 - HG3 LYS 19 far 10 98 10 - 4.2-23.7 HD3 LYS 31 - HG3 LYS 19 far 5 98 5 - 3.5-23.9 HD2 LYS 31 - HG2 LYS 26 far 4 83 5 - 5.2-13.9 HD3 LYS 31 - HG2 LYS 26 far 4 83 5 - 5.1-14.0 HD2 LYS 26 - HG2 LYS 31 far 0 100 0 - 5.7-12.1 HD2 LYS 86 - HG3 LYS 19 far 0 98 0 - 6.6-34.0 HD3 LYS 86 - HG3 LYS 19 far 0 98 0 - 7.2-35.0 HD3 LYS 24 - HG3 LYS 19 far 0 98 0 - 7.6-15.9 HD2 LYS 19 - HG3 LYS 24 far 0 91 0 - 8.0-16.0 HD2 LYS 36 - HG2 LYS 31 far 0 98 0 - 8.0-10.5 HD3 LYS 24 - HG2 LYS 26 far 0 83 0 - 8.3-12.6 HD2 LYS 24 - HG3 LYS 19 far 0 98 0 - 8.4-15.6 HD3 LYS 19 - HG2 LYS 31 far 0 96 0 - 8.5-25.2 HD2 LYS 19 - HG2 LYS 31 far 0 96 0 - 8.5-25.7 HD3 LYS 26 - HG3 LYS 19 far 0 97 0 - 9.0-20.4 HD3 LYS 36 - HG2 LYS 31 far 0 98 0 - 9.2-11.8 HD2 LYS 36 - HG2 LYS 26 far 0 79 0 - 9.2-12.8 HD3 LYS 19 - HG3 LYS 24 far 0 91 0 - 9.2-16.2 HD2 LYS 24 - HG2 LYS 26 far 0 83 0 - 9.4-13.2 HD2 LYS 26 - HG3 LYS 19 far 0 98 0 - 9.5-19.8 HD2 LYS 86 - HG3 LYS 24 far 0 97 0 - 9.7-25.0 HD3 LYS 31 - HG3 LYS 24 far 0 97 0 - 9.8-22.2 HD2 LYS 24 - HG2 LYS 31 far 0 100 0 - 10.0-23.6 Violated in 0 structures by 0.00 A. Peak 828 from cnoeabs.peaks (1.66, 1.44, 24.73 ppm; 5.05 A): 8 out of 32 assignments used, quality = 1.00: * HD3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HG3 LYS 24 OK 97 97 100 100 2.3-3.0 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 2.3-2.8 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 93 93 100 100 2.9-3.0 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 2.2-3.0 2.9=100 HD3 LYS 26 - HG2 LYS 31 far 10 100 10 - 4.0-11.7 HD2 LYS 31 - HG3 LYS 19 far 10 98 10 - 4.2-23.7 HD3 LYS 31 - HG3 LYS 19 far 5 98 5 - 3.5-23.9 HD3 LYS 31 - HG2 LYS 26 far 4 83 5 - 5.1-14.0 HD2 LYS 31 - HG2 LYS 26 far 4 83 5 - 5.2-13.9 HD2 LYS 26 - HG2 LYS 31 far 0 100 0 - 5.7-12.1 HD2 LYS 86 - HG3 LYS 19 far 0 98 0 - 6.6-34.0 HD3 LYS 86 - HG3 LYS 19 far 0 98 0 - 7.2-35.0 HD3 LYS 24 - HG3 LYS 19 far 0 98 0 - 7.6-15.9 HD2 LYS 19 - HG3 LYS 24 far 0 92 0 - 8.0-16.0 HD2 LYS 36 - HG2 LYS 31 far 0 97 0 - 8.0-10.5 HD3 LYS 24 - HG2 LYS 26 far 0 83 0 - 8.3-12.6 HD2 LYS 24 - HG3 LYS 19 far 0 98 0 - 8.4-15.6 HD3 LYS 19 - HG2 LYS 31 far 0 97 0 - 8.5-25.2 HD2 LYS 19 - HG2 LYS 31 far 0 97 0 - 8.5-25.7 HD3 LYS 26 - HG3 LYS 19 far 0 98 0 - 9.0-20.4 HD3 LYS 36 - HG2 LYS 31 far 0 97 0 - 9.2-11.8 HD2 LYS 36 - HG2 LYS 26 far 0 78 0 - 9.2-12.8 HD3 LYS 19 - HG3 LYS 24 far 0 92 0 - 9.2-16.2 HD2 LYS 24 - HG2 LYS 26 far 0 83 0 - 9.4-13.2 HD2 LYS 26 - HG3 LYS 19 far 0 98 0 - 9.5-19.8 HD2 LYS 86 - HG3 LYS 24 far 0 97 0 - 9.7-25.0 HD3 LYS 31 - HG3 LYS 24 far 0 97 0 - 9.8-22.2 HD2 LYS 24 - HG2 LYS 31 far 0 100 0 - 10.0-23.6 Violated in 0 structures by 0.00 A. Peak 829 from cnoeabs.peaks (2.96, 1.44, 24.73 ppm; 6.80 A): 8 out of 30 assignments used, quality = 1.00: * HE2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.1-4.0 3.7=100 HE3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HE3 LYS 19 + HG3 LYS 19 OK 98 98 100 100 2.2-3.7 3.8=100 HE3 LYS 24 + HG3 LYS 24 OK 97 97 100 100 2.3-3.9 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 96 96 100 100 2.1-3.9 3.8=100 HE2 LYS 24 + HG3 LYS 24 OK 94 94 100 100 2.3-4.0 4.0=100 HE3 LYS 26 + HG2 LYS 26 OK 83 83 100 100 2.2-3.8 3.6=100 HE2 LYS 26 + HG2 LYS 26 OK 83 83 100 100 2.7-4.1 3.6=100 HE2 LYS 26 - HG2 LYS 31 far 15 100 15 - 6.5-13.4 HE2 LYS 31 - HG2 LYS 26 far 12 83 15 - 6.6-15.6 HE3 LYS 26 - HG2 LYS 31 far 10 100 10 - 5.9-14.3 HE2 LYS 31 - HG3 LYS 19 far 10 98 10 - 5.6-26.1 HE3 LYS 31 - HG3 LYS 19 far 10 97 10 - 4.4-25.7 HE3 LYS 31 - HG2 LYS 26 far 8 83 10 - 7.0-15.5 HE3 LYS 24 - HG3 LYS 19 far 5 97 5 - 7.0-15.8 HE3 LYS 26 - HG3 LYS 19 far 5 97 5 - 7.3-20.0 HE3 LYS 86 - HG3 LYS 19 far 5 97 5 - 5.8-35.8 HE3 LYS 36 - HG2 LYS 31 far 0 100 0 - 7.4-12.4 HE2 LYS 26 - HG3 LYS 19 far 0 97 0 - 7.6-21.0 HE3 LYS 19 - HG2 LYS 31 far 0 100 0 - 7.7-26.4 HE2 LYS 36 - HG2 LYS 31 far 0 99 0 - 8.0-11.8 HE2 LYS 19 - HG2 LYS 31 far 0 99 0 - 8.4-24.8 HE2 LYS 24 - HG3 LYS 19 far 0 94 0 - 8.4-15.9 HE3 LYS 19 - HG3 LYS 24 far 0 97 0 - 8.6-17.0 HE2 LYS 24 - HG2 LYS 31 far 0 98 0 - 9.0-23.6 HE2 LYS 19 - HG3 LYS 24 far 0 96 0 - 9.3-16.7 HE3 LYS 26 - HG3 LYS 24 far 0 97 0 - 9.3-11.4 HE2 LYS 26 - HG3 LYS 24 far 0 97 0 - 9.7-13.1 HE3 LYS 86 - HG3 LYS 24 far 0 96 0 - 9.8-26.1 HE3 LYS 36 - HG2 LYS 26 far 0 83 0 - 9.8-14.5 Violated in 0 structures by 0.00 A. Peak 830 from cnoeabs.peaks (2.97, 1.44, 24.73 ppm; 6.80 A): 8 out of 30 assignments used, quality = 1.00: * HE3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.1-4.0 3.7=100 HE3 LYS 19 + HG3 LYS 19 OK 97 97 100 100 2.2-3.7 3.8=100 HE3 LYS 24 + HG3 LYS 24 OK 96 96 100 100 2.3-3.9 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 94 94 100 100 2.1-3.9 3.8=100 HE2 LYS 24 + HG3 LYS 24 OK 91 91 100 100 2.3-4.0 4.0=100 HE3 LYS 26 + HG2 LYS 26 OK 83 83 100 100 2.2-3.8 3.6=100 HE2 LYS 26 + HG2 LYS 26 OK 83 83 100 100 2.7-4.1 3.6=100 HE2 LYS 26 - HG2 LYS 31 far 15 100 15 - 6.5-13.4 HE2 LYS 31 - HG2 LYS 26 far 12 83 15 - 6.6-15.6 HE3 LYS 26 - HG2 LYS 31 far 10 100 10 - 5.9-14.3 HE3 LYS 31 - HG3 LYS 19 far 10 98 10 - 4.4-25.7 HE2 LYS 31 - HG3 LYS 19 far 10 97 10 - 5.6-26.1 HE3 LYS 31 - HG2 LYS 26 far 8 83 10 - 7.0-15.5 HE3 LYS 26 - HG3 LYS 19 far 5 98 5 - 7.3-20.0 HE3 LYS 24 - HG3 LYS 19 far 5 96 5 - 7.0-15.8 HE3 LYS 86 - HG3 LYS 19 far 5 95 5 - 5.8-35.8 HE3 LYS 36 - HG2 LYS 31 far 0 99 0 - 7.4-12.4 HE2 LYS 26 - HG3 LYS 19 far 0 98 0 - 7.6-21.0 HE3 LYS 19 - HG2 LYS 31 far 0 100 0 - 7.7-26.4 HE2 LYS 36 - HG2 LYS 31 far 0 97 0 - 8.0-11.8 HE2 LYS 19 - HG2 LYS 31 far 0 98 0 - 8.4-24.8 HE2 LYS 24 - HG3 LYS 19 far 0 92 0 - 8.4-15.9 HE3 LYS 19 - HG3 LYS 24 far 0 97 0 - 8.6-17.0 HE2 LYS 24 - HG2 LYS 31 far 0 96 0 - 9.0-23.6 HE2 LYS 19 - HG3 LYS 24 far 0 94 0 - 9.3-16.7 HE3 LYS 26 - HG3 LYS 24 far 0 97 0 - 9.3-11.4 HE2 LYS 26 - HG3 LYS 24 far 0 97 0 - 9.7-13.1 HE3 LYS 86 - HG3 LYS 24 far 0 95 0 - 9.8-26.1 HE3 LYS 36 - HG2 LYS 26 far 0 81 0 - 9.8-14.5 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 10 assignments used, quality = 1.00: * H ILE 32 + HG2 LYS 31 OK 100 100 100 100 4.8-5.8 6342/3.8=98, 809/3.0=97...(7) H LEU 22 + HG3 LYS 24 OK 42 95 50 88 5.1-8.3 842/1.8=27, 4.6/821=25...(29) H ILE 32 + HG2 LYS 26 OK 25 83 35 84 4.8-8.7 ~10763=40, ~10832=39...(8) H LEU 22 - HG2 LYS 31 far 5 99 5 - 5.7-20.9 H LEU 22 - HG3 LYS 19 lone 3 95 30 11 6.2-7.8 6192/10712=8 H ALA 15 - HG3 LYS 19 far 0 98 0 - 6.8-13.8 H GLU 91 - HG3 LYS 19 far 0 87 0 - 9.1-41.5 H ILE 32 - HG3 LYS 19 far 0 98 0 - 9.2-23.8 H PHE 87 - HG3 LYS 19 far 0 69 0 - 9.5-40.2 H LEU 22 - HG2 LYS 26 far 0 80 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 832 from cnoeabs.peaks (8.23, 1.39, 24.73 ppm; 4.90 A): 2 out of 13 assignments used, quality = 1.00: * H LYS 31 + HG3 LYS 31 OK 100 100 100 100 4.4-4.8 5.0=97, 6332/3.0=96...(41) H ARG 23 + HG2 LYS 24 OK 66 78 90 94 3.5-5.7 6211/6222=77, 821/1.8=27...(17) H ALA 29 - HG3 LYS 26 poor 18 71 25 - 4.5-9.0 H LYS 31 - HG3 LYS 26 far 12 83 15 - 4.6-10.8 H ARG 23 - HG3 LYS 31 far 5 96 5 - 2.7-20.7 H SER 33 - HG3 LYS 26 far 4 83 5 - 5.4-9.0 H GLU 30 - HG3 LYS 26 far 0 43 0 - 6.1-9.5 H SER 33 - HG3 LYS 31 far 0 100 0 - 6.2-8.4 H SER 33 - HG2 LYS 36 far 0 81 0 - 6.7-7.0 H GLU 30 - HG3 LYS 31 far 0 60 0 - 7.3-8.0 H ARG 23 - HG3 LYS 26 far 0 76 0 - 8.3-10.8 H ALA 29 - HG3 LYS 31 far 0 92 0 - 8.5-10.2 H LYS 31 - HG2 LYS 24 far 0 86 0 - 8.8-18.0 Violated in 0 structures by 0.00 A. Peak 833 from cnoeabs.peaks (4.28, 1.39, 24.73 ppm; 4.56 A): 6 out of 28 assignments used, quality = 1.00: * HA LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.2-3.7 3.8=100 HA LYS 36 + HG2 LYS 36 OK 81 81 100 100 3.1-3.3 4.1=100 HA LYS 26 + HG3 LYS 26 OK 80 80 100 100 2.6-3.7 4.0=100 HA THR 25 + HG3 LYS 26 OK 72 73 100 99 3.1-4.0 11150=88, 582/6253=73...(11) HA ARG 23 + HG2 LYS 24 OK 69 82 95 89 4.1-5.3 424/6222=77, 2.9/832=23...(10) HA LEU 22 + HG2 LYS 24 OK 58 82 90 79 2.7-6.3 374/10714=26...(13) HA ARG 23 - HG3 LYS 31 far 5 98 5 - 3.3-17.9 HA LYS 19 - HG3 LYS 31 far 5 97 5 - 4.8-25.5 HA LYS 19 - HG2 LYS 24 far 4 81 5 - 4.8-11.2 HA ALA 21 - HG2 LYS 24 far 4 77 5 - 3.3-8.9 HA LEU 22 - HG3 LYS 31 far 0 98 0 - 6.0-22.9 HA ALA 21 - HG3 LYS 31 far 0 95 0 - 6.0-24.0 HA THR 25 - HG2 LYS 24 far 0 76 0 - 6.3-6.5 HA LYS 31 - HG3 LYS 26 far 0 83 0 - 6.6-12.4 HA LYS 26 - HG3 LYS 31 far 0 99 0 - 6.8-12.7 HA ARG 23 - HG3 LYS 26 far 0 79 0 - 6.9-9.9 HA ALA 12 - HG3 LYS 31 far 0 99 0 - 6.9-38.6 HA LEU 22 - HG3 LYS 26 far 0 79 0 - 7.5-13.1 HA THR 18 - HG2 LYS 24 far 0 74 0 - 7.5-12.7 HA THR 18 - HG3 LYS 31 far 0 92 0 - 7.6-27.1 HA LYS 36 - HG3 LYS 26 far 0 83 0 - 7.8-13.9 HA LYS 26 - HG2 LYS 24 far 0 83 0 - 8.0-9.2 HA ALA 21 - HG3 LYS 26 far 0 74 0 - 8.9-15.7 HA THR 25 - HG3 LYS 31 far 0 93 0 - 9.2-16.6 HA THR 18 - HG3 LYS 26 far 0 71 0 - 9.4-18.6 HA ALA 16 - HG3 LYS 31 far 0 100 0 - 9.4-28.3 HA LYS 31 - HG2 LYS 24 far 0 86 0 - 9.5-19.9 HA LYS 19 - HG3 LYS 26 far 0 78 0 - 9.9-17.8 Violated in 0 structures by 0.00 A. Peak 834 from cnoeabs.peaks (1.74, 1.39, 24.73 ppm; 5.31 A): 3 out of 15 assignments used, quality = 1.00: * HB2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 24 + HG2 LYS 24 OK 85 85 100 100 2.3-3.0 2.9=100 HB2 LYS 26 + HG3 LYS 26 OK 81 81 100 100 2.5-3.0 3.0=100 HB2 LYS 31 - HG3 LYS 26 poor 17 83 20 - 4.0-11.8 HB2 ARG 23 - HG2 LYS 24 far 12 78 15 - 4.9-6.7 HB2 LYS 26 - HG3 LYS 31 far 5 99 5 - 5.1-12.9 HB2 ARG 23 - HG3 LYS 31 far 5 96 5 - 3.4-19.1 HB2 LYS 19 - HG3 LYS 31 far 0 99 0 - 6.0-26.3 HB2 LYS 31 - HG2 LYS 24 far 0 86 0 - 6.6-18.9 HB2 LYS 19 - HG2 LYS 24 far 0 83 0 - 6.7-13.0 HB2 ARG 23 - HG3 LYS 26 far 0 76 0 - 6.8-11.8 HB2 LYS 24 - HG3 LYS 26 far 0 82 0 - 7.1-8.9 HB2 LYS 24 - HG3 LYS 31 far 0 100 0 - 7.7-20.6 HB2 LYS 26 - HG2 LYS 24 far 0 83 0 - 9.2-11.0 HB2 LYS 19 - HG3 LYS 26 far 0 81 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 835 from cnoeabs.peaks (1.81, 1.39, 24.73 ppm; 4.22 A): 4 out of 23 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 2.4-3.0 2.9=100 HB3 LYS 26 + HG3 LYS 26 OK 81 81 100 100 2.5-3.0 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 80 80 100 100 2.7-2.9 3.0=100 HB3 LYS 19 - HG3 LYS 31 far 5 100 5 - 4.5-24.5 HB3 ARG 23 - HG2 LYS 24 far 4 80 5 - 4.5-6.6 HB3 ARG 23 - HG3 LYS 31 far 0 97 0 - 5.0-20.1 HB3 LYS 26 - HG3 LYS 31 far 0 99 0 - 5.1-11.5 HB3 LYS 31 - HG3 LYS 26 far 0 83 0 - 5.2-13.1 HB3 ARG 23 - HG3 LYS 26 far 0 77 0 - 5.2-11.9 HB ILE 32 - HG3 LYS 26 far 0 81 0 - 5.4-7.7 HB3 LYS 19 - HG2 LYS 24 far 0 86 0 - 5.9-12.2 HB ILE 32 - HG3 LYS 31 far 0 99 0 - 6.3-8.2 HB2 LYS 36 - HG3 LYS 31 far 0 100 0 - 7.5-12.4 HB3 LYS 24 - HG3 LYS 26 far 0 83 0 - 7.5-8.6 HB ILE 32 - HG2 LYS 36 far 0 79 0 - 7.6-8.8 HB3 LYS 31 - HG2 LYS 24 far 0 86 0 - 7.8-20.3 HB3 LYS 19 - HG3 LYS 26 far 0 83 0 - 7.9-18.0 HB2 LYS 36 - HG3 LYS 26 far 0 82 0 - 8.6-13.7 HB2 CYS 79 - HG2 LYS 36 far 0 46 0 - 8.7-10.3 HB3 LYS 24 - HG3 LYS 31 far 0 100 0 - 8.9-20.1 HB2 CYS 79 - HG3 LYS 26 far 0 48 0 - 9.7-15.8 HB2 CYS 79 - HG2 LYS 24 far 0 50 0 - 9.7-23.7 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 21 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 QB ALA 34 - HG3 LYS 26 far 0 56 0 - 4.6-8.5 HG2 LYS 26 - HG3 LYS 31 far 0 98 0 - 4.7-13.7 HG13 ILE 32 - HG3 LYS 26 far 0 83 0 - 4.7-7.3 HG3 LYS 19 - HG3 LYS 31 far 0 100 0 - 5.7-24.8 HG2 LYS 31 - HG3 LYS 26 far 0 83 0 - 5.9-14.2 QB ALA 34 - HG2 LYS 36 far 0 54 0 - 6.3-6.8 HG13 ILE 32 - HG3 LYS 31 far 0 100 0 - 6.4-7.6 HG2 LYS 31 - HG2 LYS 24 far 0 86 0 - 7.5-21.3 HG3 LYS 24 - HG3 LYS 31 far 0 100 0 - 7.7-21.4 HG3 LYS 19 - HG2 LYS 24 far 0 86 0 - 8.0-13.2 QB ALA 34 - HG3 LYS 31 far 0 76 0 - 8.0-10.4 HG3 LYS 19 - HG3 LYS 26 far 0 83 0 - 8.4-18.3 QB ALA 34 - HG2 LYS 24 far 0 59 0 - 8.5-15.1 HG3 LYS 36 - HG3 LYS 31 far 0 71 0 - 8.7-13.1 HG2 LYS 26 - HG2 LYS 24 far 0 82 0 - 9.0-11.7 HG3 LYS 24 - HG3 LYS 26 far 0 82 0 - 9.1-10.6 HG13 ILE 32 - HG2 LYS 36 far 0 80 0 - 9.9-10.8 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 28 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 2.2-3.0 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 2.4-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.3-3.0 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.6-3.0 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 77 77 100 100 2.2-2.3 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 77 77 100 100 2.7-2.9 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 5 100 5 - 4.1-12.0 HD2 LYS 26 - HG3 LYS 31 far 0 100 0 - 5.4-12.2 HD2 LYS 36 - HG3 LYS 31 far 0 98 0 - 6.6-10.5 HD3 LYS 31 - HG3 LYS 26 far 0 83 0 - 6.8-14.4 HD2 LYS 31 - HG3 LYS 26 far 0 83 0 - 6.9-14.3 HD2 LYS 19 - HG3 LYS 31 far 0 96 0 - 7.5-27.4 HD3 LYS 19 - HG3 LYS 31 far 0 96 0 - 7.7-26.9 HD3 LYS 36 - HG3 LYS 31 far 0 98 0 - 7.9-11.7 HD2 LYS 19 - HG2 LYS 24 far 0 78 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 80 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 81 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 83 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 86 0 - 9.0-21.0 HD2 LYS 36 - HG3 LYS 26 far 0 79 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 86 0 - 9.3-12.6 HD2 LYS 24 - HG3 LYS 31 far 0 100 0 - 9.3-22.5 HD2 LYS 31 - HG2 LYS 24 far 0 86 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 78 0 - 9.5-14.5 HD3 LYS 24 - HG3 LYS 31 far 0 100 0 - 9.8-21.7 HD2 LYS 24 - HG3 LYS 26 far 0 83 0 - 9.8-11.8 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 28 assignments used, quality = 1.00: * HD3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.2-3.0 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 2.4-3.0 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 2.3-3.0 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.6-3.0 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 76 76 100 100 2.2-2.3 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 76 76 100 100 2.7-2.9 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 5 100 5 - 4.1-12.0 HD2 LYS 26 - HG3 LYS 31 far 0 100 0 - 5.4-12.2 HD2 LYS 36 - HG3 LYS 31 far 0 97 0 - 6.6-10.5 HD3 LYS 31 - HG3 LYS 26 far 0 83 0 - 6.8-14.4 HD2 LYS 31 - HG3 LYS 26 far 0 83 0 - 6.9-14.3 HD2 LYS 19 - HG3 LYS 31 far 0 97 0 - 7.5-27.4 HD3 LYS 19 - HG3 LYS 31 far 0 97 0 - 7.7-26.9 HD3 LYS 36 - HG3 LYS 31 far 0 97 0 - 7.9-11.7 HD2 LYS 19 - HG2 LYS 24 far 0 80 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 81 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 81 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 83 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 86 0 - 9.0-21.0 HD2 LYS 36 - HG3 LYS 26 far 0 78 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 86 0 - 9.3-12.6 HD2 LYS 24 - HG3 LYS 31 far 0 100 0 - 9.3-22.5 HD2 LYS 31 - HG2 LYS 24 far 0 86 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 80 0 - 9.5-14.5 HD3 LYS 24 - HG3 LYS 31 far 0 100 0 - 9.8-21.7 HD2 LYS 24 - HG3 LYS 26 far 0 83 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 840 from cnoeabs.peaks (2.96, 1.39, 24.73 ppm; 5.44 A): 8 out of 32 assignments used, quality = 1.00: * HE2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.1-4.2 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.0-4.0 3.7=100 HE3 LYS 24 + HG2 LYS 24 OK 86 86 100 100 2.0-4.2 4.0=100 HE3 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.0-3.4 3.6=100 HE2 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.3-3.8 3.6=100 HE2 LYS 24 + HG2 LYS 24 OK 82 82 100 100 2.1-4.1 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 80 80 100 100 3.1-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 78 78 100 100 3.1-4.1 4.0=100 HE2 LYS 26 - HG3 LYS 31 far 0 100 0 - 6.1-13.8 HE3 LYS 26 - HG3 LYS 31 far 0 100 0 - 6.1-14.7 HE3 LYS 36 - HG3 LYS 31 far 0 100 0 - 6.3-11.5 HE2 LYS 36 - HG3 LYS 31 far 0 99 0 - 6.5-12.0 HE2 LYS 26 - HG2 LYS 36 far 0 80 0 - 7.3-12.6 HE3 LYS 19 - HG3 LYS 31 far 0 100 0 - 7.7-28.1 HE2 LYS 24 - HG3 LYS 31 far 0 98 0 - 8.1-23.8 HE2 LYS 31 - HG3 LYS 26 far 0 83 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 83 0 - 8.6-15.9 HE2 LYS 19 - HG3 LYS 31 far 0 99 0 - 8.6-26.5 HE3 LYS 26 - HG2 LYS 24 far 0 86 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 36 far 0 80 0 - 8.9-13.8 HE2 LYS 19 - HG3 LYS 26 far 0 81 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 86 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 56 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 81 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 86 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 84 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 83 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 83 0 - 9.8-15.3 HE3 LYS 24 - HG3 LYS 31 far 0 100 0 - 9.8-23.3 HE2 LYS 26 - HG2 LYS 24 far 0 86 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 79 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 86 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 841 from cnoeabs.peaks (2.97, 1.39, 24.73 ppm; 5.43 A): 8 out of 32 assignments used, quality = 1.00: * HE3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.0-4.0 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.1-4.2 3.7=100 HE3 LYS 24 + HG2 LYS 24 OK 84 84 100 100 2.0-4.2 4.0=100 HE3 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.0-3.4 3.6=100 HE2 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.3-3.8 3.6=100 HE3 LYS 36 + HG2 LYS 36 OK 79 79 100 100 3.1-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 78 78 100 100 2.1-4.1 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 76 76 100 100 3.1-4.1 4.0=100 HE2 LYS 26 - HG3 LYS 31 far 0 100 0 - 6.1-13.8 HE3 LYS 26 - HG3 LYS 31 far 0 100 0 - 6.1-14.7 HE3 LYS 36 - HG3 LYS 31 far 0 99 0 - 6.3-11.5 HE2 LYS 36 - HG3 LYS 31 far 0 97 0 - 6.5-12.0 HE2 LYS 26 - HG2 LYS 36 far 0 81 0 - 7.3-12.6 HE3 LYS 19 - HG3 LYS 31 far 0 100 0 - 7.7-28.1 HE2 LYS 24 - HG3 LYS 31 far 0 96 0 - 8.1-23.8 HE2 LYS 31 - HG3 LYS 26 far 0 83 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 83 0 - 8.6-15.9 HE2 LYS 19 - HG3 LYS 31 far 0 98 0 - 8.6-26.5 HE3 LYS 26 - HG2 LYS 24 far 0 86 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 36 far 0 81 0 - 8.9-13.8 HE2 LYS 19 - HG3 LYS 26 far 0 79 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 86 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 50 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 80 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 86 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 82 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 83 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 81 0 - 9.8-15.3 HE3 LYS 24 - HG3 LYS 31 far 0 99 0 - 9.8-23.3 HE2 LYS 26 - HG2 LYS 24 far 0 86 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 76 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 86 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 842 from cnoeabs.peaks (8.14, 1.39, 24.73 ppm; 6.80 A): 2 out of 7 assignments used, quality = 1.00: * H ILE 32 + HG3 LYS 31 OK 100 100 100 100 4.6-5.9 6342/3.8=100...(10) H LEU 22 + HG2 LYS 24 OK 79 83 100 95 3.9-7.2 4.9/10714=35...(29) H ILE 32 - HG3 LYS 26 poor 19 83 25 92 5.5-9.3 ~10763=48, ~10832=47...(8) H LEU 22 - HG3 LYS 31 far 5 99 5 - 4.3-22.4 H ILE 32 - HG2 LYS 36 far 0 81 0 - 9.1-9.9 H LEU 22 - HG3 LYS 26 far 0 80 0 - 9.5-13.5 H ILE 32 - HG2 LYS 24 far 0 86 0 - 9.9-17.8 Violated in 0 structures by 0.00 A. Peak 843 from cnoeabs.peaks (8.23, 1.66, 28.90 ppm; 5.05 A increased from 4.49 A): 9 out of 30 assignments used, quality = 1.00: H SER 33 + HD2 LYS 36 OK 92 94 100 98 4.7-4.9 10855=51, 10896/6.1=40...(16) * H LYS 31 + HD2 LYS 31 OK 90 100 90 100 4.2-5.8 6332/3.5=93, 6331/3.5=92...(66) H SER 33 + HD2 LYS 26 OK 60 100 65 93 3.9-7.4 6360/10763=54...(11) H LYS 31 + HD3 LYS 31 OK 60 100 60 100 4.5-6.0 6332/3.5=93, 6331/3.5=92...(66) H ALA 29 + HD2 LYS 26 OK 41 92 70 64 3.5-6.6 4.6/10771=19...(16) H ARG 23 + HD2 LYS 24 OK 37 96 45 85 3.8-7.9 6211/5.9=47, 832/3.0=28...(20) H ARG 23 + HD3 LYS 24 OK 36 96 45 85 3.9-8.1 6211/5.9=47, 832/3.0=28...(20) H ALA 29 + HD3 LYS 26 OK 31 91 55 62 3.3-6.7 4.6/10771=18...(19) H SER 33 + HD3 LYS 26 OK 21 100 25 85 4.7-7.7 6363/10767=33...(11) H LYS 31 - HD2 LYS 26 poor 20 100 20 - 3.1-9.0 H LYS 31 - HD3 LYS 26 poor 20 100 20 - 2.8-8.6 H GLU 30 - HD2 LYS 26 poor 15 60 25 - 4.1-7.6 H GLU 30 - HD3 LYS 26 poor 12 59 20 - 5.0-7.9 H ARG 23 - HD3 LYS 31 far 5 96 5 - 4.8-20.3 H ARG 23 - HD2 LYS 31 far 5 96 5 - 5.3-21.5 H SER 33 - HD3 LYS 36 far 0 94 0 - 6.0-6.3 H SER 33 - HD3 LYS 31 far 0 100 0 - 6.1-9.2 H SER 33 - HD2 LYS 31 far 0 100 0 - 6.3-9.1 H GLU 30 - HD2 LYS 31 far 0 60 0 - 7.0-8.9 H GLU 30 - HD3 LYS 31 far 0 60 0 - 7.4-9.6 H ARG 23 - HD2 LYS 19 far 0 79 0 - 8.4-10.5 H ALA 29 - HD2 LYS 31 far 0 92 0 - 8.5-10.9 H ARG 23 - HD3 LYS 19 far 0 79 0 - 8.5-10.9 H ARG 23 - HD3 LYS 26 far 0 95 0 - 8.7-13.3 H ALA 29 - HD3 LYS 31 far 0 92 0 - 8.7-11.9 H LYS 31 - HD2 LYS 36 far 0 94 0 - 9.3-9.8 H ARG 23 - HD2 LYS 26 far 0 96 0 - 9.7-13.3 H GLU 30 - HD2 LYS 36 far 0 52 0 - 9.7-11.5 H ALA 29 - HD2 LYS 36 far 0 82 0 - 9.8-11.8 H LYS 31 - HD3 LYS 19 far 0 87 0 - 9.8-25.4 Violated in 0 structures by 0.00 A. Peak 844 from cnoeabs.peaks (4.28, 1.66, 28.90 ppm; 4.56 A): 11 out of 79 assignments used, quality = 1.00: HA LYS 31 + HD3 LYS 31 OK 100 100 100 100 1.9-4.8 5.2=67, ~6332=35...(32) * HA LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.0-4.7 5.2=67, ~6332=35...(32) HA LYS 26 + HD2 LYS 26 OK 98 99 100 100 2.0-5.1 5.0=77, ~6253=40...(34) HA LYS 36 + HD2 LYS 36 OK 94 94 100 100 4.6-4.6 5.3=65, ~6394=37...(29) HA LYS 19 + HD2 LYS 19 OK 81 82 100 100 3.5-4.4 5.2=69, ~6151=39...(42) HA LYS 19 + HD3 LYS 19 OK 81 82 100 100 3.8-5.0 5.2=69, ~6151=39...(41) HA LYS 26 + HD3 LYS 26 OK 78 98 80 100 2.0-5.3 5.0=77, ~6253=40...(34) HA LYS 36 + HD3 LYS 36 OK 75 94 80 100 4.9-5.2 5.3=65, ~6394=37...(30) HA LEU 22 + HD2 LYS 24 OK 32 98 55 60 3.2-9.0 ~1309=13, 11967/3.0=11...(11) HA LEU 22 + HD3 LYS 24 OK 26 98 45 59 3.7-8.5 ~1309=13, 11967/3.0=11...(11) HA THR 18 + HD2 LYS 19 OK 21 75 30 93 5.0-5.5 3.2/10696=65...(15) HA ALA 16 - HD3 LYS 19 far 13 87 15 - 4.7-9.2 HA LYS 31 - HD2 LYS 26 far 10 100 10 - 5.1-10.1 HA LYS 31 - HD3 LYS 26 far 10 100 10 - 4.0-10.4 HA ARG 23 - HD3 LYS 24 far 10 98 10 - 4.0-7.6 HA ARG 23 - HD2 LYS 24 far 10 98 10 - 5.0-7.8 HA LYS 19 - HD3 LYS 31 far 5 97 5 - 4.2-24.3 HA LYS 19 - HD2 LYS 31 far 5 97 5 - 5.1-24.1 HA ALA 21 - HD3 LYS 24 far 5 94 5 - 5.0-11.3 HA THR 25 - HD2 LYS 26 far 5 93 5 - 4.9-6.7 HA SER 74 - HD3 LYS 19 far 4 76 5 - 4.6-35.1 HA ALA 16 - HD2 LYS 19 lone 1 87 25 4 4.1-8.2 HA THR 25 - HD3 LYS 26 far 0 92 0 - 5.2-6.8 HA ALA 21 - HD2 LYS 24 far 0 95 0 - 5.2-10.9 HA ARG 23 - HD3 LYS 31 far 0 98 0 - 5.4-17.9 HA ARG 23 - HD2 LYS 31 far 0 98 0 - 5.5-19.1 HA THR 18 - HD3 LYS 19 far 0 75 0 - 5.6-7.0 HA ALA 15 - HD2 LYS 19 far 0 83 0 - 5.7-11.6 HA THR 25 - HD3 LYS 24 far 0 93 0 - 5.8-7.0 HA LYS 36 - HD2 LYS 26 far 0 100 0 - 5.9-11.4 HA LYS 36 - HD3 LYS 26 far 0 100 0 - 6.0-12.7 HA ALA 15 - HD3 LYS 19 far 0 83 0 - 6.2-11.9 HA SER 74 - HD2 LYS 19 far 0 76 0 - 6.2-35.4 HA ARG 23 - HD3 LYS 26 far 0 97 0 - 6.4-12.1 HA THR 25 - HD2 LYS 24 far 0 93 0 - 6.5-8.0 HA LYS 26 - HD2 LYS 31 far 0 99 0 - 6.5-14.6 HA ALA 12 - HD3 LYS 19 far 0 83 0 - 6.5-20.5 HA LYS 19 - HD2 LYS 24 far 0 97 0 - 6.5-12.9 HA ALA 21 - HD3 LYS 31 far 0 94 0 - 6.6-23.8 HA LYS 19 - HD3 LYS 24 far 0 97 0 - 6.6-13.2 HA LYS 26 - HD3 LYS 24 far 0 99 0 - 6.8-10.5 HA ALA 16 - HD3 LYS 31 far 0 100 0 - 7.0-28.5 HA THR 18 - HD3 LYS 31 far 0 92 0 - 7.1-26.4 HA ALA 16 - HD2 LYS 31 far 0 100 0 - 7.3-28.5 HA LYS 31 - HD2 LYS 36 far 0 94 0 - 7.5-8.1 HA ALA 12 - HD2 LYS 19 far 0 83 0 - 7.6-20.3 HA SER 74 - HD3 LYS 24 far 0 93 0 - 7.6-23.3 HA ALA 21 - HD3 LYS 19 far 0 78 0 - 7.7-9.8 HA ALA 12 - HD2 LYS 31 far 0 99 0 - 7.7-38.2 HA LEU 22 - HD3 LYS 31 far 0 98 0 - 7.8-22.1 HA LYS 26 - HD3 LYS 31 far 0 99 0 - 7.8-13.5 HA LYS 26 - HD2 LYS 24 far 0 99 0 - 7.8-10.9 HA ALA 21 - HD2 LYS 19 far 0 78 0 - 7.8-8.6 HA ARG 23 - HD2 LYS 26 far 0 98 0 - 7.9-11.1 HA ALA 21 - HD2 LYS 31 far 0 95 0 - 8.2-24.8 HA LYS 31 - HD3 LYS 19 far 0 87 0 - 8.3-27.0 HA LEU 22 - HD2 LYS 26 far 0 98 0 - 8.4-15.7 HA SER 74 - HD2 LYS 24 far 0 93 0 - 8.4-24.9 HA ARG 23 - HD3 LYS 19 far 0 83 0 - 8.4-12.6 HA ALA 12 - HD3 LYS 31 far 0 99 0 - 8.4-38.1 HA LEU 22 - HD3 LYS 26 far 0 97 0 - 8.5-15.5 HA LEU 22 - HD2 LYS 19 far 0 83 0 - 8.6-11.0 HA LEU 22 - HD2 LYS 31 far 0 98 0 - 8.6-22.9 HA ARG 23 - HD2 LYS 19 far 0 83 0 - 8.7-12.2 HA THR 18 - HD2 LYS 24 far 0 92 0 - 8.7-12.7 HA THR 18 - HD2 LYS 31 far 0 92 0 - 8.7-26.2 HA THR 25 - HD3 LYS 31 far 0 93 0 - 8.7-17.7 HA LYS 31 - HD2 LYS 19 far 0 87 0 - 8.9-27.5 HA LYS 31 - HD3 LYS 36 far 0 94 0 - 9.1-9.5 HA THR 18 - HD3 LYS 24 far 0 92 0 - 9.1-13.3 HA THR 25 - HD2 LYS 31 far 0 93 0 - 9.2-17.6 HA ALA 15 - HD3 LYS 31 far 0 99 0 - 9.4-29.3 HA LEU 22 - HD3 LYS 19 far 0 83 0 - 9.5-12.1 HA ARG 23 - HD2 LYS 36 far 0 90 0 - 9.5-19.6 HA THR 25 - HD2 LYS 19 far 0 76 0 - 9.6-17.8 HA LYS 19 - HD3 LYS 26 far 0 97 0 - 9.7-20.2 HA PHE 87 - HD3 LYS 19 far 0 79 0 - 9.9-41.0 HA PHE 87 - HD2 LYS 19 far 0 79 0 - 10.0-40.9 HA LYS 26 - HD3 LYS 19 far 0 83 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 845 from cnoeabs.peaks (1.74, 1.66, 28.90 ppm; 4.35 A): 8 out of 44 assignments used, quality = 1.00: * HB2 LYS 31 + HD2 LYS 31 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 24 + HD2 LYS 24 OK 100 100 100 100 2.6-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.6-3.7 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.1-4.0 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 98 98 100 100 2.3-3.9 3.5=100 HB2 LYS 19 + HD3 LYS 19 OK 84 84 100 100 2.0-3.5 3.9=100 HB2 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-3.2 3.9=100 HB2 LYS 31 - HD2 LYS 26 poor 20 100 20 - 3.7-10.0 HB2 LYS 31 - HD3 LYS 26 far 15 100 15 - 2.1-9.6 HB2 LYS 19 - HD3 LYS 31 far 5 99 5 - 4.6-25.0 HB2 ARG 23 - HD3 LYS 31 far 5 96 5 - 4.8-19.6 HB2 LYS 19 - HD2 LYS 31 far 0 99 0 - 5.2-25.0 HB2 LYS 26 - HD2 LYS 31 far 0 99 0 - 5.4-13.3 HG3 ARG 90 - HD3 LYS 19 far 0 80 0 - 5.6-37.6 HB2 ARG 23 - HD3 LYS 24 far 0 96 0 - 5.6-9.0 HB2 ARG 23 - HD2 LYS 31 far 0 96 0 - 5.7-20.8 HB2 ARG 23 - HD2 LYS 24 far 0 96 0 - 6.0-9.1 HB2 LYS 26 - HD3 LYS 31 far 0 99 0 - 6.1-13.8 HG3 ARG 90 - HD2 LYS 19 far 0 80 0 - 6.5-37.7 HB2 ARG 23 - HD3 LYS 19 far 0 79 0 - 7.3-12.6 HB2 LYS 24 - HD2 LYS 19 far 0 86 0 - 7.3-16.3 HB2 ARG 23 - HD2 LYS 19 far 0 79 0 - 7.5-11.9 HB2 ARG 23 - HD3 LYS 26 far 0 95 0 - 7.5-14.0 HB ILE 80 - HD3 LYS 19 far 0 85 0 - 7.8-37.4 HB2 ARG 23 - HD2 LYS 26 far 0 96 0 - 7.8-13.1 HB2 LYS 19 - HD3 LYS 24 far 0 99 0 - 7.9-15.5 HB2 LYS 24 - HD3 LYS 26 far 0 99 0 - 7.9-11.0 HB2 LYS 31 - HD3 LYS 19 far 0 87 0 - 8.2-24.6 HB2 LYS 19 - HD2 LYS 24 far 0 99 0 - 8.2-15.2 HB2 LYS 24 - HD3 LYS 19 far 0 86 0 - 8.2-16.3 HB2 LYS 31 - HD2 LYS 36 far 0 94 0 - 8.4-9.8 HB2 LYS 26 - HD3 LYS 24 far 0 99 0 - 8.4-11.9 HB2 LYS 24 - HD2 LYS 26 far 0 100 0 - 8.6-11.1 HB2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.8-21.3 HB ILE 80 - HD2 LYS 19 far 0 85 0 - 9.2-37.4 HB2 LYS 31 - HD2 LYS 19 far 0 87 0 - 9.2-25.0 HB2 LYS 31 - HD3 LYS 24 far 0 100 0 - 9.4-20.4 HB2 ARG 23 - HD2 LYS 36 far 0 87 0 - 9.5-21.1 HB2 LYS 26 - HD2 LYS 24 far 0 99 0 - 9.6-12.5 HB2 LYS 31 - HD3 LYS 36 far 0 94 0 - 9.7-11.4 HG3 ARG 90 - HD3 LYS 24 far 0 96 0 - 9.8-25.6 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 9.9-20.2 HB2 LYS 24 - HD2 LYS 31 far 0 100 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 846 from cnoeabs.peaks (1.81, 1.66, 28.90 ppm; 4.23 A): 12 out of 60 assignments used, quality = 1.00: * HB3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.0-3.8 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.1-4.1 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.1-3.7 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.0-3.2 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 98 98 100 100 2.0-3.3 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 93 93 100 100 2.0-3.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 93 93 100 100 3.0-4.0 3.5=100 HB3 LYS 19 + HD3 LYS 19 OK 87 87 100 100 3.3-4.2 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 3.5-4.1 3.9=100 HB ILE 32 + HD2 LYS 26 OK 69 99 70 100 4.2-5.1 3.0/10763=37, ~10767=37...(49) HB ILE 32 + HD3 LYS 26 OK 35 99 35 100 3.4-6.5 10833/1.8=39, ~10766=32...(54) HB3 LYS 31 - HD3 LYS 26 far 10 100 10 - 3.5-10.7 HB3 LYS 19 - HD3 LYS 31 far 5 100 5 - 3.0-23.2 HB3 LYS 19 - HD2 LYS 31 far 5 100 5 - 3.4-23.3 HB3 LYS 31 - HD2 LYS 26 far 5 100 5 - 4.7-11.2 HB3 ARG 23 - HD3 LYS 24 far 5 96 5 - 4.2-8.9 HB3 ARG 23 - HD2 LYS 24 far 0 97 0 - 5.3-8.9 HB ILE 32 - HD2 LYS 36 far 0 92 0 - 5.9-6.8 HB3 LYS 26 - HD2 LYS 31 far 0 99 0 - 5.9-12.3 HB2 LYS 36 - HD3 LYS 26 far 0 99 0 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 26 far 0 96 0 - 6.3-14.3 HB2 LYS 36 - HD2 LYS 26 far 0 100 0 - 6.3-11.2 HB3 LYS 19 - HD3 LYS 24 far 0 100 0 - 6.4-14.8 HB ILE 32 - HD3 LYS 31 far 0 99 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 96 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 96 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 99 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 100 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 99 0 - 6.8-12.2 HB3 ARG 23 - HD2 LYS 31 far 0 97 0 - 7.3-22.1 HB ILE 32 - HD3 LYS 36 far 0 92 0 - 7.6-8.5 HB3 LYS 31 - HD3 LYS 19 far 0 87 0 - 8.1-26.2 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.1-12.5 HB2 CYS 79 - HD3 LYS 19 far 0 50 0 - 8.3-33.8 HB2 LYS 36 - HD2 LYS 31 far 0 100 0 - 8.3-12.3 HB2 LYS 86 - HD3 LYS 19 far 0 71 0 - 8.4-38.5 HB3 LYS 31 - HD2 LYS 19 far 0 87 0 - 8.4-26.6 HB VAL 93 - HD3 LYS 19 far 0 73 0 - 8.4-40.5 HB3 ARG 23 - HD3 LYS 19 far 0 80 0 - 8.5-12.9 HB2 CYS 79 - HD2 LYS 24 far 0 65 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 65 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 100 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 19 far 0 87 0 - 8.8-16.9 HB3 LYS 24 - HD2 LYS 26 far 0 100 0 - 8.8-11.0 HB3 ARG 23 - HD2 LYS 19 far 0 80 0 - 8.9-12.7 HB VAL 93 - HD2 LYS 19 far 0 73 0 - 9.3-40.8 HB3 LYS 31 - HD2 LYS 36 far 0 94 0 - 9.3-10.5 HB2 LYS 86 - HD2 LYS 19 far 0 71 0 - 9.3-38.4 HB3 LYS 26 - HD3 LYS 24 far 0 99 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 100 0 - 9.5-19.2 HB3 LYS 26 - HD2 LYS 36 far 0 92 0 - 9.7-12.7 HB2 CYS 79 - HD3 LYS 36 far 0 57 0 - 9.8-11.3 HB2 CYS 79 - HD2 LYS 36 far 0 57 0 - 9.8-11.7 HB3 LYS 24 - HD3 LYS 19 far 0 87 0 - 9.8-17.0 HB3 ARG 23 - HD2 LYS 36 far 0 88 0 - 9.9-20.6 HB2 CYS 79 - HD3 LYS 24 far 0 65 0 - 9.9-24.7 HB2 CYS 79 - HD2 LYS 19 far 0 50 0 - 9.9-33.8 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 847 from cnoeabs.peaks (1.44, 1.66, 28.90 ppm; 3.43 A): 12 out of 53 assignments used, quality = 1.00: * HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 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 2.2-3.0 2.9=100 HG3 LYS 19 + HD3 LYS 19 OK 87 87 100 100 2.3-2.8 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.9-3.0 3.0=100 HG13 ILE 32 + HD2 LYS 26 OK 63 100 65 97 2.3-5.4 ~10767=29, 892/10763=21...(49) HG3 LYS 36 + HD3 LYS 36 OK 62 62 100 100 2.7-2.9 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 62 62 100 100 2.8-3.0 3.0=100 HG13 ILE 32 + HD3 LYS 26 OK 24 100 25 96 3.4-5.5 1.8/10767=21, ~10833=15...(58) HG3 LYS 19 - HD3 LYS 31 far 5 100 5 - 3.5-23.9 HG2 LYS 31 - HD3 LYS 26 far 5 100 5 - 4.0-11.7 QB ALA 34 - HD2 LYS 26 far 0 76 0 - 4.2-7.0 HG3 LYS 19 - HD2 LYS 31 far 0 100 0 - 4.2-23.7 QB ALA 34 - HD3 LYS 26 far 0 75 0 - 4.4-7.4 HG2 LYS 26 - HD3 LYS 31 far 0 98 0 - 5.1-14.0 HG2 LYS 26 - HD2 LYS 31 far 0 98 0 - 5.2-13.9 HG2 LYS 31 - HD2 LYS 26 far 0 100 0 - 5.7-12.1 QB ALA 34 - HD2 LYS 36 far 0 66 0 - 5.8-6.1 HG13 ILE 32 - HD2 LYS 31 far 0 100 0 - 6.0-8.4 HG13 ILE 32 - HD3 LYS 31 far 0 100 0 - 6.2-9.0 QB ALA 34 - HD3 LYS 36 far 0 66 0 - 6.3-6.6 HG3 LYS 19 - HD3 LYS 24 far 0 100 0 - 7.6-15.9 QB ALA 34 - HD3 LYS 19 far 0 59 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 76 0 - 7.9-10.9 HG2 LYS 86 - HD3 LYS 19 far 0 64 0 - 8.0-37.5 HG3 LYS 24 - HD2 LYS 19 far 0 86 0 - 8.0-16.0 HG2 LYS 31 - HD2 LYS 36 far 0 94 0 - 8.0-10.5 QB ALA 34 - HD2 LYS 31 far 0 76 0 - 8.0-10.8 HG13 ILE 32 - HD2 LYS 36 far 0 94 0 - 8.1-8.6 HG3 LYS 36 - HD3 LYS 26 far 0 70 0 - 8.3-14.1 HG2 LYS 26 - HD3 LYS 24 far 0 98 0 - 8.3-12.6 HG3 LYS 19 - HD2 LYS 24 far 0 100 0 - 8.4-15.6 HG2 LYS 31 - HD3 LYS 19 far 0 87 0 - 8.5-25.2 HG2 LYS 31 - HD2 LYS 19 far 0 87 0 - 8.5-25.7 HG3 LYS 36 - HD2 LYS 26 far 0 71 0 - 8.6-12.6 QB ALA 34 - HD2 LYS 24 far 0 76 0 - 8.8-16.8 HG3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.0-20.4 QB ALA 34 - HD2 LYS 19 far 0 59 0 - 9.1-23.8 HG2 LYS 31 - HD3 LYS 36 far 0 94 0 - 9.2-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 90 0 - 9.2-12.8 HG3 LYS 24 - HD3 LYS 19 far 0 86 0 - 9.2-16.2 QB ALA 34 - HD3 LYS 24 far 0 76 0 - 9.2-15.8 HG2 LYS 86 - HD2 LYS 19 far 0 64 0 - 9.3-37.4 HG3 LYS 36 - HD3 LYS 31 far 0 71 0 - 9.4-14.3 HG2 LYS 26 - HD2 LYS 24 far 0 98 0 - 9.4-13.2 HG3 LYS 19 - HD2 LYS 26 far 0 100 0 - 9.5-19.8 HG3 LYS 36 - HD2 LYS 31 far 0 71 0 - 9.5-14.0 HG3 LYS 24 - HD3 LYS 31 far 0 100 0 - 9.8-22.2 HG13 ILE 32 - HD3 LYS 36 far 0 94 0 - 9.8-10.3 HG2 LYS 31 - HD2 LYS 24 far 0 100 0 - 10.0-23.6 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 72 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 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 98 98 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 97 97 100 100 2.6-3.0 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 2.4-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 89 89 100 100 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 89 89 100 100 2.7-2.9 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 53 53 100 100 2.2-2.7 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 53 53 100 100 2.3-3.0 3.0=100 QB ALA 16 - HD2 LYS 19 poor 19 76 25 - 3.5-7.5 QB ALA 34 - HD2 LYS 26 poor 13 63 20 - 4.2-7.0 QB ALA 16 - HD3 LYS 19 far 11 76 15 - 4.2-7.8 QB ALA 29 - HD2 LYS 26 poor 11 97 25 46 2.5-6.4 10790/10833=19...(14) HG3 LYS 31 - HD3 LYS 26 far 10 100 10 - 4.1-12.0 QB ALA 29 - HD3 LYS 26 poor 9 97 25 39 2.3-7.8 10739/10829=12...(13) QB ALA 16 - HD2 LYS 31 far 5 93 5 - 4.6-24.2 QB ALA 16 - HD3 LYS 31 far 5 93 5 - 4.2-24.3 QB ALA 15 - HD3 LYS 19 far 4 83 5 - 3.7-10.4 QB ALA 15 - HD2 LYS 19 far 4 83 5 - 3.8-10.9 HG2 LYS 19 - HD3 LYS 31 far 3 68 5 - 3.6-23.8 QB ALA 34 - HD3 LYS 26 far 3 62 5 - 4.4-7.4 QB ALA 28 - HD3 LYS 26 far 0 98 0 - 4.7-8.5 HG2 LYS 19 - HD2 LYS 31 far 0 68 0 - 4.9-23.9 QB ALA 28 - HD2 LYS 26 far 0 99 0 - 4.9-7.9 HG3 LYS 31 - HD2 LYS 26 far 0 100 0 - 5.4-12.2 QB ALA 34 - HD2 LYS 36 far 0 54 0 - 5.8-6.1 QB ALA 29 - HD2 LYS 36 far 0 89 0 - 6.1-9.0 QB ALA 34 - HD3 LYS 36 far 0 54 0 - 6.3-6.6 HG3 LYS 31 - HD2 LYS 36 far 0 94 0 - 6.6-10.5 HG3 LYS 26 - HD3 LYS 31 far 0 98 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 98 0 - 6.9-14.3 QB ALA 29 - HD3 LYS 36 far 0 89 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 97 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 97 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 87 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 68 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 87 0 - 7.7-26.9 QB ALA 34 - HD3 LYS 19 far 0 48 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 63 0 - 7.9-10.9 QB ALA 28 - HD3 LYS 31 far 0 99 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 99 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 94 0 - 7.9-11.7 QB ALA 34 - HD2 LYS 31 far 0 63 0 - 8.0-10.8 QB ALA 28 - HD2 LYS 24 far 0 99 0 - 8.1-15.1 QB ALA 28 - HD2 LYS 31 far 0 99 0 - 8.2-10.3 HG2 LYS 19 - HD2 LYS 24 far 0 68 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 80 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 97 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 97 0 - 8.6-12.2 QB ALA 15 - HD3 LYS 26 far 0 98 0 - 8.6-22.7 QB ALA 34 - HD2 LYS 24 far 0 63 0 - 8.8-16.8 QB ALA 16 - HD2 LYS 24 far 0 93 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 98 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 96 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 87 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 90 0 - 9.1-12.8 QB ALA 34 - HD2 LYS 19 far 0 48 0 - 9.1-23.8 QB ALA 29 - HD3 LYS 24 far 0 97 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 99 0 - 9.2-24.7 QB ALA 34 - HD3 LYS 24 far 0 63 0 - 9.2-15.8 HG2 LYS 24 - HD3 LYS 26 far 0 96 0 - 9.3-12.6 HG3 LYS 31 - HD2 LYS 24 far 0 100 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 97 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 80 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 99 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 97 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 100 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 67 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 98 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 99 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 93 0 - 9.9-17.6 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 64 assignments used, quality = 1.00: * HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.3-3.0 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 HE3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-2.9 3.0=100 HE3 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 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 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 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 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.5-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.4-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 87 87 100 100 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 HE2 LYS 19 + HD3 LYS 19 OK 85 85 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 99 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 99 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 94 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 86 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 94 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 86 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 87 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 94 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 99 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 94 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.7-13.6 HE2 LYS 31 - HD3 LYS 36 far 0 94 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 87 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 94 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 86 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 86 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 94 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 86 0 - 8.6-36.9 HE3 LYS 24 - HD3 LYS 19 far 0 86 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 94 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 69 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 99 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 83 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 100 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 98 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 86 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 86 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 83 0 - 9.9-17.4 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 64 assignments used, quality = 1.00: * HE3 LYS 31 + HD2 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 2.2-2.9 3.0=100 HE3 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 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 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 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 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.5-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 89 89 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 89 89 100 100 2.4-3.0 3.0=100 HE3 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 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 83 83 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 83 83 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 98 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 98 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 94 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 87 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 94 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 87 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 86 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 97 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 94 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 97 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 94 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.7-13.6 HE2 LYS 31 - HD3 LYS 36 far 0 94 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 86 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 94 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 83 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 85 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 94 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 83 0 - 8.6-36.9 HE3 LYS 24 - HD3 LYS 19 far 0 85 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 94 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 62 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 97 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 79 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 100 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 97 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 87 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 87 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 79 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 854 from cnoeabs.peaks (8.23, 1.66, 28.90 ppm; 5.05 A): 9 out of 30 assignments used, quality = 1.00: H LYS 31 + HD2 LYS 31 OK 90 100 90 100 4.2-5.8 6332/3.5=93, 6331/3.5=92...(66) H SER 33 + HD2 LYS 36 OK 90 92 100 98 4.7-4.9 10855=49, 10896/6.1=40...(16) * H LYS 31 + HD3 LYS 31 OK 60 100 60 100 4.5-6.0 6332/3.5=93, 6331/3.5=92...(66) H SER 33 + HD2 LYS 26 OK 60 100 65 92 3.9-7.4 6360/10763=53...(11) H ALA 29 + HD2 LYS 26 OK 41 92 70 63 3.5-6.6 4.6/10771=19...(16) H ARG 23 + HD2 LYS 24 OK 37 96 45 85 3.8-7.9 6211/5.9=47, 832/3.0=28...(19) H ARG 23 + HD3 LYS 24 OK 36 96 45 85 3.9-8.1 6211/5.9=47, 832/3.0=28...(19) H ALA 29 + HD3 LYS 26 OK 31 91 55 62 3.3-6.7 4.6/10771=17, 6335/1.8=8...(19) H SER 33 + HD3 LYS 26 OK 21 100 25 85 4.7-7.7 6363/10767=31...(11) H LYS 31 - HD3 LYS 26 poor 20 100 20 - 2.8-8.6 H GLU 30 - HD2 LYS 26 poor 15 60 25 - 4.1-7.6 H GLU 30 - HD3 LYS 26 poor 12 60 20 - 5.0-7.9 H LYS 31 - HD2 LYS 26 poor 6 100 20 32 3.1-9.0 918/10842=8, 4.7/6348=8...(7) H ARG 23 - HD3 LYS 31 far 5 96 5 - 4.8-20.3 H ARG 23 - HD2 LYS 31 far 5 96 5 - 5.3-21.5 H SER 33 - HD3 LYS 36 far 0 92 0 - 6.0-6.3 H SER 33 - HD3 LYS 31 far 0 100 0 - 6.1-9.2 H SER 33 - HD2 LYS 31 far 0 100 0 - 6.3-9.1 H GLU 30 - HD2 LYS 31 far 0 60 0 - 7.0-8.9 H GLU 30 - HD3 LYS 31 far 0 60 0 - 7.4-9.6 H ARG 23 - HD2 LYS 19 far 0 82 0 - 8.4-10.5 H ALA 29 - HD2 LYS 31 far 0 92 0 - 8.5-10.9 H ARG 23 - HD3 LYS 19 far 0 82 0 - 8.5-10.9 H ARG 23 - HD3 LYS 26 far 0 95 0 - 8.7-13.3 H ALA 29 - HD3 LYS 31 far 0 92 0 - 8.7-11.9 H LYS 31 - HD2 LYS 36 far 0 92 0 - 9.3-9.8 H ARG 23 - HD2 LYS 26 far 0 96 0 - 9.7-13.3 H GLU 30 - HD2 LYS 36 far 0 50 0 - 9.7-11.5 H ALA 29 - HD2 LYS 36 far 0 80 0 - 9.8-11.8 H LYS 31 - HD3 LYS 19 far 0 90 0 - 9.8-25.4 Violated in 0 structures by 0.00 A. Peak 855 from cnoeabs.peaks (4.28, 1.66, 28.90 ppm; 4.35 A): 9 out of 79 assignments used, quality = 1.00: * HA LYS 31 + HD3 LYS 31 OK 99 100 100 99 1.9-4.8 5.2=58, 822/2.9=31...(32) HA LYS 31 + HD2 LYS 31 OK 99 100 100 99 2.0-4.7 5.2=58, 822/2.9=31...(32) HA LYS 36 + HD2 LYS 36 OK 91 92 100 100 4.6-4.6 5.3=56, ~6394=33...(29) HA LYS 19 + HD2 LYS 19 OK 84 84 100 99 3.5-4.4 5.2=60, ~6151=34...(42) HA LYS 26 + HD3 LYS 26 OK 78 98 80 99 2.0-5.3 5.0=67, ~6253=36...(34) HA LYS 26 + HD2 LYS 26 OK 74 99 75 99 2.0-5.1 5.0=67, ~6253=36...(34) HA LYS 19 + HD3 LYS 19 OK 54 84 65 99 3.8-5.0 5.2=60, ~6151=34...(41) HA LEU 22 + HD2 LYS 24 OK 27 98 50 56 3.2-9.0 ~1309=12, 401/10812=10...(11) HA LEU 22 + HD3 LYS 24 OK 21 98 40 54 3.7-8.5 ~1309=12, 11967/3.0=9...(11) HA ALA 16 - HD2 LYS 19 far 13 89 15 - 4.1-8.2 HA ALA 16 - HD3 LYS 19 far 13 89 15 - 4.7-9.2 HA LYS 31 - HD3 LYS 26 far 10 100 10 - 4.0-10.4 HA ARG 23 - HD3 LYS 24 far 5 98 5 - 4.0-7.6 HA LYS 19 - HD3 LYS 31 far 5 97 5 - 4.2-24.3 HA THR 25 - HD2 LYS 26 far 5 93 5 - 4.9-6.7 HA LYS 36 - HD3 LYS 36 far 5 92 5 - 4.9-5.2 HA SER 74 - HD3 LYS 19 far 4 79 5 - 4.6-35.1 HA THR 18 - HD2 LYS 19 far 0 78 0 - 5.0-5.5 HA ALA 21 - HD3 LYS 24 far 0 95 0 - 5.0-11.3 HA ARG 23 - HD2 LYS 24 far 0 98 0 - 5.0-7.8 HA LYS 19 - HD2 LYS 31 far 0 97 0 - 5.1-24.1 HA LYS 31 - HD2 LYS 26 far 0 100 0 - 5.1-10.1 HA THR 25 - HD3 LYS 26 far 0 93 0 - 5.2-6.8 HA ALA 21 - HD2 LYS 24 far 0 94 0 - 5.2-10.9 HA ARG 23 - HD3 LYS 31 far 0 98 0 - 5.4-17.9 HA ARG 23 - HD2 LYS 31 far 0 98 0 - 5.5-19.1 HA THR 18 - HD3 LYS 19 far 0 78 0 - 5.6-7.0 HA ALA 15 - HD2 LYS 19 far 0 86 0 - 5.7-11.6 HA THR 25 - HD3 LYS 24 far 0 93 0 - 5.8-7.0 HA LYS 36 - HD2 LYS 26 far 0 100 0 - 5.9-11.4 HA LYS 36 - HD3 LYS 26 far 0 100 0 - 6.0-12.7 HA ALA 15 - HD3 LYS 19 far 0 86 0 - 6.2-11.9 HA SER 74 - HD2 LYS 19 far 0 79 0 - 6.2-35.4 HA ARG 23 - HD3 LYS 26 far 0 98 0 - 6.4-12.1 HA THR 25 - HD2 LYS 24 far 0 93 0 - 6.5-8.0 HA LYS 26 - HD2 LYS 31 far 0 99 0 - 6.5-14.6 HA ALA 12 - HD3 LYS 19 far 0 86 0 - 6.5-20.5 HA LYS 19 - HD2 LYS 24 far 0 97 0 - 6.5-12.9 HA ALA 21 - HD3 LYS 31 far 0 95 0 - 6.6-23.8 HA LYS 19 - HD3 LYS 24 far 0 97 0 - 6.6-13.2 HA LYS 26 - HD3 LYS 24 far 0 99 0 - 6.8-10.5 HA ALA 16 - HD3 LYS 31 far 0 100 0 - 7.0-28.5 HA THR 18 - HD3 LYS 31 far 0 92 0 - 7.1-26.4 HA ALA 16 - HD2 LYS 31 far 0 100 0 - 7.3-28.5 HA LYS 31 - HD2 LYS 36 far 0 92 0 - 7.5-8.1 HA ALA 12 - HD2 LYS 19 far 0 86 0 - 7.6-20.3 HA SER 74 - HD3 LYS 24 far 0 93 0 - 7.6-23.3 HA ALA 21 - HD3 LYS 19 far 0 81 0 - 7.7-9.8 HA ALA 12 - HD2 LYS 31 far 0 99 0 - 7.7-38.2 HA LEU 22 - HD3 LYS 31 far 0 98 0 - 7.8-22.1 HA LYS 26 - HD3 LYS 31 far 0 99 0 - 7.8-13.5 HA LYS 26 - HD2 LYS 24 far 0 99 0 - 7.8-10.9 HA ALA 21 - HD2 LYS 19 far 0 81 0 - 7.8-8.6 HA ARG 23 - HD2 LYS 26 far 0 98 0 - 7.9-11.1 HA ALA 21 - HD2 LYS 31 far 0 94 0 - 8.2-24.8 HA LYS 31 - HD3 LYS 19 far 0 90 0 - 8.3-27.0 HA LEU 22 - HD2 LYS 26 far 0 98 0 - 8.4-15.7 HA SER 74 - HD2 LYS 24 far 0 93 0 - 8.4-24.9 HA ARG 23 - HD3 LYS 19 far 0 85 0 - 8.4-12.6 HA ALA 12 - HD3 LYS 31 far 0 99 0 - 8.4-38.1 HA LEU 22 - HD3 LYS 26 far 0 98 0 - 8.5-15.5 HA LEU 22 - HD2 LYS 19 far 0 85 0 - 8.6-11.0 HA LEU 22 - HD2 LYS 31 far 0 98 0 - 8.6-22.9 HA ARG 23 - HD2 LYS 19 far 0 85 0 - 8.7-12.2 HA THR 18 - HD2 LYS 24 far 0 92 0 - 8.7-12.7 HA THR 18 - HD2 LYS 31 far 0 92 0 - 8.7-26.2 HA THR 25 - HD3 LYS 31 far 0 93 0 - 8.7-17.7 HA LYS 31 - HD2 LYS 19 far 0 90 0 - 8.9-27.5 HA LYS 31 - HD3 LYS 36 far 0 92 0 - 9.1-9.5 HA THR 18 - HD3 LYS 24 far 0 92 0 - 9.1-13.3 HA THR 25 - HD2 LYS 31 far 0 93 0 - 9.2-17.6 HA ALA 15 - HD3 LYS 31 far 0 99 0 - 9.4-29.3 HA LEU 22 - HD3 LYS 19 far 0 85 0 - 9.5-12.1 HA ARG 23 - HD2 LYS 36 far 0 88 0 - 9.5-19.6 HA THR 25 - HD2 LYS 19 far 0 79 0 - 9.6-17.8 HA LYS 19 - HD3 LYS 26 far 0 97 0 - 9.7-20.2 HA PHE 87 - HD3 LYS 19 far 0 82 0 - 9.9-41.0 HA PHE 87 - HD2 LYS 19 far 0 82 0 - 10.0-40.9 HA LYS 26 - HD3 LYS 19 far 0 86 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 856 from cnoeabs.peaks (1.74, 1.66, 28.90 ppm; 4.35 A): 8 out of 44 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 2.1-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.6-3.7 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.6-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.1-4.0 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.3-3.9 3.5=100 HB2 LYS 19 + HD3 LYS 19 OK 87 87 100 100 2.0-3.5 3.9=100 HB2 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.2-3.2 3.9=100 HB2 LYS 31 - HD3 LYS 26 far 15 100 15 - 2.1-9.6 HB2 LYS 19 - HD3 LYS 31 far 5 99 5 - 4.6-25.0 HB2 ARG 23 - HD3 LYS 31 far 5 96 5 - 4.8-19.6 HB2 LYS 31 - HD2 LYS 26 lone 2 100 20 10 3.7-10.0 809/6348=6, 6331/6335=2 HB2 LYS 19 - HD2 LYS 31 far 0 99 0 - 5.2-25.0 HB2 LYS 26 - HD2 LYS 31 far 0 99 0 - 5.4-13.3 HG3 ARG 90 - HD3 LYS 19 far 0 83 0 - 5.6-37.6 HB2 ARG 23 - HD3 LYS 24 far 0 96 0 - 5.6-9.0 HB2 ARG 23 - HD2 LYS 31 far 0 96 0 - 5.7-20.8 HB2 ARG 23 - HD2 LYS 24 far 0 96 0 - 6.0-9.1 HB2 LYS 26 - HD3 LYS 31 far 0 99 0 - 6.1-13.8 HG3 ARG 90 - HD2 LYS 19 far 0 83 0 - 6.5-37.7 HB2 ARG 23 - HD3 LYS 19 far 0 82 0 - 7.3-12.6 HB2 LYS 24 - HD2 LYS 19 far 0 89 0 - 7.3-16.3 HB2 ARG 23 - HD2 LYS 19 far 0 82 0 - 7.5-11.9 HB2 ARG 23 - HD3 LYS 26 far 0 95 0 - 7.5-14.0 HB ILE 80 - HD3 LYS 19 far 0 88 0 - 7.8-37.4 HB2 ARG 23 - HD2 LYS 26 far 0 96 0 - 7.8-13.1 HB2 LYS 19 - HD3 LYS 24 far 0 99 0 - 7.9-15.5 HB2 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.9-11.0 HB2 LYS 31 - HD3 LYS 19 far 0 90 0 - 8.2-24.6 HB2 LYS 19 - HD2 LYS 24 far 0 99 0 - 8.2-15.2 HB2 LYS 24 - HD3 LYS 19 far 0 89 0 - 8.2-16.3 HB2 LYS 31 - HD2 LYS 36 far 0 92 0 - 8.4-9.8 HB2 LYS 26 - HD3 LYS 24 far 0 99 0 - 8.4-11.9 HB2 LYS 24 - HD2 LYS 26 far 0 100 0 - 8.6-11.1 HB2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.8-21.3 HB ILE 80 - HD2 LYS 19 far 0 88 0 - 9.2-37.4 HB2 LYS 31 - HD2 LYS 19 far 0 90 0 - 9.2-25.0 HB2 LYS 31 - HD3 LYS 24 far 0 100 0 - 9.4-20.4 HB2 ARG 23 - HD2 LYS 36 far 0 84 0 - 9.5-21.1 HB2 LYS 26 - HD2 LYS 24 far 0 99 0 - 9.6-12.5 HB2 LYS 31 - HD3 LYS 36 far 0 92 0 - 9.7-11.4 HG3 ARG 90 - HD3 LYS 24 far 0 97 0 - 9.8-25.6 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 9.9-20.2 HB2 LYS 24 - HD2 LYS 31 far 0 100 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 857 from cnoeabs.peaks (1.81, 1.66, 28.90 ppm; 4.18 A): 12 out of 60 assignments used, quality = 1.00: * HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.1-4.1 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.0-3.8 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.1-3.7 3.5=100 HB3 LYS 24 + HD2 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 2.0-3.2 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.0-3.3 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 91 91 100 100 2.0-3.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 91 91 100 100 3.0-4.0 3.5=100 HB3 LYS 19 + HD3 LYS 19 OK 90 90 100 100 3.3-4.2 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 90 90 100 100 3.5-4.1 3.9=100 HB ILE 32 + HD2 LYS 26 OK 64 99 65 100 4.2-5.1 3.0/10763=36, ~10767=36...(49) HB ILE 32 + HD3 LYS 26 OK 35 99 35 100 3.4-6.5 10833/1.8=38, ~10766=31...(54) HB3 LYS 31 - HD3 LYS 26 far 10 100 10 - 3.5-10.7 HB3 LYS 19 - HD3 LYS 31 far 5 100 5 - 3.0-23.2 HB3 LYS 19 - HD2 LYS 31 far 5 100 5 - 3.4-23.3 HB3 LYS 31 - HD2 LYS 26 far 5 100 5 - 4.7-11.2 HB3 ARG 23 - HD3 LYS 24 far 5 97 5 - 4.2-8.9 HB3 ARG 23 - HD2 LYS 24 far 0 96 0 - 5.3-8.9 HB ILE 32 - HD2 LYS 36 far 0 90 0 - 5.9-6.8 HB3 LYS 26 - HD2 LYS 31 far 0 99 0 - 5.9-12.3 HB2 LYS 36 - HD3 LYS 26 far 0 99 0 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 26 far 0 96 0 - 6.3-14.3 HB2 LYS 36 - HD2 LYS 26 far 0 100 0 - 6.3-11.2 HB3 LYS 19 - HD3 LYS 24 far 0 100 0 - 6.4-14.8 HB ILE 32 - HD3 LYS 31 far 0 99 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 97 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 97 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 99 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 100 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 99 0 - 6.8-12.2 HB3 ARG 23 - HD2 LYS 31 far 0 96 0 - 7.3-22.1 HB ILE 32 - HD3 LYS 36 far 0 90 0 - 7.6-8.5 HB3 LYS 31 - HD3 LYS 19 far 0 90 0 - 8.1-26.2 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.1-12.5 HB2 CYS 79 - HD3 LYS 19 far 0 53 0 - 8.3-33.8 HB2 LYS 36 - HD2 LYS 31 far 0 100 0 - 8.3-12.3 HB2 LYS 86 - HD3 LYS 19 far 0 74 0 - 8.4-38.5 HB3 LYS 31 - HD2 LYS 19 far 0 90 0 - 8.4-26.6 HB VAL 93 - HD3 LYS 19 far 0 76 0 - 8.4-40.5 HB3 ARG 23 - HD3 LYS 19 far 0 83 0 - 8.5-12.9 HB2 CYS 79 - HD2 LYS 24 far 0 65 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 65 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 100 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 19 far 0 89 0 - 8.8-16.9 HB3 LYS 24 - HD2 LYS 26 far 0 100 0 - 8.8-11.0 HB3 ARG 23 - HD2 LYS 19 far 0 83 0 - 8.9-12.7 HB VAL 93 - HD2 LYS 19 far 0 76 0 - 9.3-40.8 HB3 LYS 31 - HD2 LYS 36 far 0 92 0 - 9.3-10.5 HB2 LYS 86 - HD2 LYS 19 far 0 74 0 - 9.3-38.4 HB3 LYS 26 - HD3 LYS 24 far 0 99 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 100 0 - 9.5-19.2 HB3 LYS 26 - HD2 LYS 36 far 0 89 0 - 9.7-12.7 HB2 CYS 79 - HD3 LYS 36 far 0 55 0 - 9.8-11.3 HB2 CYS 79 - HD2 LYS 36 far 0 55 0 - 9.8-11.7 HB3 LYS 24 - HD3 LYS 19 far 0 89 0 - 9.8-17.0 HB3 ARG 23 - HD2 LYS 36 far 0 86 0 - 9.9-20.6 HB2 CYS 79 - HD3 LYS 24 far 0 65 0 - 9.9-24.7 HB2 CYS 79 - HD2 LYS 19 far 0 53 0 - 9.9-33.8 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 10.0-22.7 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 53 assignments used, quality = 1.00: * HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 2.9=100 HG3 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.3-2.8 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.9-3.0 3.0=100 HG13 ILE 32 + HD2 LYS 26 OK 62 100 65 96 2.3-5.4 ~10767=27, 892/10763=20...(40) HG3 LYS 36 + HD3 LYS 36 OK 60 60 100 100 2.7-2.9 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 60 60 100 100 2.8-3.0 3.0=100 HG13 ILE 32 - HD3 LYS 26 far 15 100 15 - 3.4-5.5 HG3 LYS 19 - HD3 LYS 31 far 5 100 5 - 3.5-23.9 HG2 LYS 31 - HD3 LYS 26 far 0 100 0 - 4.0-11.7 QB ALA 34 - HD2 LYS 26 far 0 76 0 - 4.2-7.0 HG3 LYS 19 - HD2 LYS 31 far 0 100 0 - 4.2-23.7 QB ALA 34 - HD3 LYS 26 far 0 75 0 - 4.4-7.4 HG2 LYS 26 - HD3 LYS 31 far 0 98 0 - 5.1-14.0 HG2 LYS 26 - HD2 LYS 31 far 0 98 0 - 5.2-13.9 HG2 LYS 31 - HD2 LYS 26 far 0 100 0 - 5.7-12.1 QB ALA 34 - HD2 LYS 36 far 0 64 0 - 5.8-6.1 HG13 ILE 32 - HD2 LYS 31 far 0 100 0 - 6.0-8.4 HG13 ILE 32 - HD3 LYS 31 far 0 100 0 - 6.2-9.0 QB ALA 34 - HD3 LYS 36 far 0 64 0 - 6.3-6.6 HG3 LYS 19 - HD3 LYS 24 far 0 100 0 - 7.6-15.9 QB ALA 34 - HD3 LYS 19 far 0 62 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 76 0 - 7.9-10.9 HG2 LYS 86 - HD3 LYS 19 far 0 66 0 - 8.0-37.5 HG3 LYS 24 - HD2 LYS 19 far 0 89 0 - 8.0-16.0 HG2 LYS 31 - HD2 LYS 36 far 0 92 0 - 8.0-10.5 QB ALA 34 - HD2 LYS 31 far 0 76 0 - 8.0-10.8 HG13 ILE 32 - HD2 LYS 36 far 0 91 0 - 8.1-8.6 HG3 LYS 36 - HD3 LYS 26 far 0 70 0 - 8.3-14.1 HG2 LYS 26 - HD3 LYS 24 far 0 98 0 - 8.3-12.6 HG3 LYS 19 - HD2 LYS 24 far 0 100 0 - 8.4-15.6 HG2 LYS 31 - HD3 LYS 19 far 0 90 0 - 8.5-25.2 HG2 LYS 31 - HD2 LYS 19 far 0 90 0 - 8.5-25.7 HG3 LYS 36 - HD2 LYS 26 far 0 71 0 - 8.6-12.6 QB ALA 34 - HD2 LYS 24 far 0 76 0 - 8.8-16.8 HG3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.0-20.4 QB ALA 34 - HD2 LYS 19 far 0 62 0 - 9.1-23.8 HG2 LYS 31 - HD3 LYS 36 far 0 92 0 - 9.2-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 88 0 - 9.2-12.8 HG3 LYS 24 - HD3 LYS 19 far 0 89 0 - 9.2-16.2 QB ALA 34 - HD3 LYS 24 far 0 76 0 - 9.2-15.8 HG2 LYS 86 - HD2 LYS 19 far 0 66 0 - 9.3-37.4 HG3 LYS 36 - HD3 LYS 31 far 0 71 0 - 9.4-14.3 HG2 LYS 26 - HD2 LYS 24 far 0 98 0 - 9.4-13.2 HG3 LYS 19 - HD2 LYS 26 far 0 100 0 - 9.5-19.8 HG3 LYS 36 - HD2 LYS 31 far 0 71 0 - 9.5-14.0 HG3 LYS 24 - HD3 LYS 31 far 0 100 0 - 9.8-22.2 HG13 ILE 32 - HD3 LYS 36 far 0 91 0 - 9.8-10.3 HG2 LYS 31 - HD2 LYS 24 far 0 100 0 - 10.0-23.6 Violated in 0 structures by 0.00 A. Peak 859 from cnoeabs.peaks (1.39, 1.66, 28.90 ppm; 4.35 A): 10 out of 72 assignments used, quality = 1.00: * HG3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 98 98 100 100 2.6-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 97 97 100 100 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 87 87 100 100 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 87 87 100 100 2.7-2.9 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 55 55 100 100 2.2-2.7 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 55 55 100 100 2.3-3.0 3.0=100 QB ALA 16 - HD3 LYS 19 poor 20 79 25 - 4.2-7.8 QB ALA 34 - HD2 LYS 26 poor 16 63 25 - 4.2-7.0 QB ALA 29 - HD2 LYS 26 poor 13 97 25 53 2.5-6.4 10790/10833=21...(14) QB ALA 29 - HD3 LYS 26 poor 13 97 30 43 2.3-7.8 10739/10829=13...(13) HG3 LYS 31 - HD3 LYS 26 far 10 100 10 - 4.1-12.0 QB ALA 34 - HD3 LYS 26 far 9 62 15 - 4.4-7.4 QB ALA 28 - HD2 LYS 26 far 5 99 5 - 4.9-7.9 QB ALA 28 - HD3 LYS 26 far 5 99 5 - 4.7-8.5 QB ALA 16 - HD3 LYS 31 far 5 93 5 - 4.2-24.3 QB ALA 16 - HD2 LYS 31 far 5 93 5 - 4.6-24.2 QB ALA 15 - HD3 LYS 19 far 4 86 5 - 3.7-10.4 QB ALA 15 - HD2 LYS 19 far 4 86 5 - 3.8-10.9 HG2 LYS 19 - HD3 LYS 31 far 3 68 5 - 3.6-23.8 HG2 LYS 19 - HD2 LYS 31 far 3 68 5 - 4.9-23.9 QB ALA 16 - HD2 LYS 19 lone 1 79 40 5 3.5-7.5 HG3 LYS 31 - HD2 LYS 26 far 0 100 0 - 5.4-12.2 QB ALA 34 - HD2 LYS 36 far 0 52 0 - 5.8-6.1 QB ALA 29 - HD2 LYS 36 far 0 87 0 - 6.1-9.0 QB ALA 34 - HD3 LYS 36 far 0 52 0 - 6.3-6.6 HG3 LYS 31 - HD2 LYS 36 far 0 92 0 - 6.6-10.5 HG3 LYS 26 - HD3 LYS 31 far 0 98 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 98 0 - 6.9-14.3 QB ALA 29 - HD3 LYS 36 far 0 87 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 97 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 97 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 90 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 68 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 90 0 - 7.7-26.9 QB ALA 34 - HD3 LYS 19 far 0 50 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 63 0 - 7.9-10.9 QB ALA 28 - HD3 LYS 31 far 0 99 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 99 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 92 0 - 7.9-11.7 QB ALA 34 - HD2 LYS 31 far 0 63 0 - 8.0-10.8 QB ALA 28 - HD2 LYS 24 far 0 99 0 - 8.1-15.1 QB ALA 28 - HD2 LYS 31 far 0 99 0 - 8.2-10.3 HG2 LYS 19 - HD2 LYS 24 far 0 68 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 83 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 97 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 97 0 - 8.6-12.2 QB ALA 15 - HD3 LYS 26 far 0 98 0 - 8.6-22.7 QB ALA 34 - HD2 LYS 24 far 0 63 0 - 8.8-16.8 QB ALA 16 - HD2 LYS 24 far 0 93 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 98 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 97 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 84 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 88 0 - 9.1-12.8 QB ALA 34 - HD2 LYS 19 far 0 50 0 - 9.1-23.8 QB ALA 29 - HD3 LYS 24 far 0 97 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 99 0 - 9.2-24.7 QB ALA 34 - HD3 LYS 24 far 0 63 0 - 9.2-15.8 HG2 LYS 24 - HD3 LYS 26 far 0 96 0 - 9.3-12.6 HG3 LYS 31 - HD2 LYS 24 far 0 100 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 96 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 83 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 99 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 97 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 100 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 68 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 98 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 99 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 93 0 - 9.9-17.6 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 64 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 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-2.9 3.0=100 HE3 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 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 91 91 100 100 2.5-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 90 90 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 90 90 100 100 2.2-3.0 2.9=100 HE2 LYS 36 + HD3 LYS 36 OK 89 89 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 89 89 100 100 2.4-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 88 88 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 99 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 99 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 91 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 89 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 92 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 89 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 90 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 91 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 99 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 91 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.7-13.6 HE2 LYS 31 - HD3 LYS 36 far 0 92 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 90 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 91 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 88 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 89 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 91 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 88 0 - 8.6-36.9 HE3 LYS 24 - HD3 LYS 19 far 0 89 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 91 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 66 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 99 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 85 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 100 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 89 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 89 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 85 0 - 9.9-17.4 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 64 assignments used, quality = 1.00: HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-2.9 3.0=100 HE3 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 2.3-3.0 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 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 90 90 100 100 2.5-3.0 3.0=100 HE3 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 2.2-3.0 2.9=100 HE2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 87 87 100 100 2.4-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 85 85 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 98 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 98 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 92 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 90 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 91 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 90 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 89 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 97 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 92 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 97 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 92 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.7-13.6 HE2 LYS 31 - HD3 LYS 36 far 0 91 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 89 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 92 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 86 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 88 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 92 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 86 0 - 8.6-36.9 HE3 LYS 24 - HD3 LYS 19 far 0 88 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 92 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 60 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 97 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 82 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 100 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 97 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 90 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 90 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 82 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 865 from cnoeabs.peaks (8.23, 2.96, 41.80 ppm; 6.80 A): 10 out of 29 assignments used, quality = 1.00: * H LYS 31 + HE2 LYS 31 OK 100 100 100 100 4.1-6.9 6332/4.8=98, 6331/4.8=98...(50) H LYS 31 + HE3 LYS 31 OK 100 100 100 100 4.0-7.0 6332/4.8=98, 6331/4.8=98...(50) H SER 33 + HE2 LYS 26 OK 96 100 100 97 2.4-7.2 6362/10766=80...(6) H ARG 23 + HE3 LYS 24 OK 64 95 75 89 3.7-7.6 6211/7.4=60, 832/4.0=36...(17) H ALA 29 + HE2 LYS 26 OK 61 91 95 70 4.5-8.0 934/9008=23...(22) H ARG 23 + HE2 LYS 24 OK 58 87 75 89 3.6-8.6 6211/7.4=60, 832/4.0=36...(18) H SER 33 + HE3 LYS 36 OK 57 100 60 94 6.4-7.9 10896/7.3=57...(6) H SER 33 + HE2 LYS 36 OK 55 97 60 94 6.9-7.8 10896/7.3=57...(6) H SER 33 + HE3 LYS 26 OK 44 100 60 73 3.3-8.5 10855/3.0=31...(5) H ALA 29 + HE3 LYS 26 OK 39 91 65 66 5.4-8.6 934/9008=22, 6337/1.8=11...(23) H SER 33 - HE2 LYS 31 poor 20 100 20 - 6.0-10.4 H LYS 31 - HE2 LYS 26 poor 20 100 20 - 5.2-10.3 H GLU 30 - HE2 LYS 26 poor 18 59 30 - 5.9-8.7 H SER 33 - HE3 LYS 31 far 10 100 10 - 6.0-10.5 H GLU 30 - HE3 LYS 26 far 9 59 15 - 6.3-9.4 H LYS 31 - HE3 LYS 26 poor 7 100 25 29 5.4-11.0 10802/9008=18...(5) H GLU 30 - HE2 LYS 31 far 6 60 10 - 6.8-10.1 H GLU 30 - HE3 LYS 31 far 6 59 10 - 6.9-10.3 H ARG 23 - HE2 LYS 31 far 5 96 5 - 5.7-22.6 H ARG 23 - HE3 LYS 31 far 5 95 5 - 5.9-22.3 H ARG 23 - HE3 LYS 26 far 5 95 5 - 6.9-12.3 H ARG 23 - HE2 LYS 26 far 0 95 0 - 7.5-13.7 H ARG 23 - HE3 LYS 19 far 0 96 0 - 8.7-12.1 H ALA 29 - HE2 LYS 31 far 0 92 0 - 8.7-12.9 H ARG 23 - HE3 LYS 86 far 0 93 0 - 8.8-27.4 H ALA 29 - HE3 LYS 31 far 0 91 0 - 9.0-12.5 H ARG 23 - HE2 LYS 19 far 0 92 0 - 9.5-11.6 H LYS 31 - HE3 LYS 36 far 0 100 0 - 9.6-11.8 H LYS 31 - HE2 LYS 36 far 0 97 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 866 from cnoeabs.peaks (4.28, 2.96, 41.80 ppm; 5.57 A): 14 out of 93 assignments used, quality = 1.00: * HA LYS 31 + HE2 LYS 31 OK 99 100 100 99 2.1-5.2 6.5=64, 822/3.7=37...(27) HA LYS 31 + HE3 LYS 31 OK 99 100 100 99 2.0-5.9 6.5=64, 822/3.7=37...(27) HA LYS 26 + HE3 LYS 26 OK 91 98 95 98 3.0-6.3 6.6=60, 282/3.6=31...(22) HA THR 25 + HE3 LYS 26 OK 91 92 100 98 3.5-5.7 11150/3.6=79, 9587=72...(7) HA LYS 19 + HE2 LYS 19 OK 89 94 95 99 5.1-6.2 6.4=67, 271/3.8=30...(35) HA LYS 19 + HE3 LYS 19 OK 87 97 90 99 4.9-6.3 6.4=67, 271/3.8=30...(35) HA LYS 36 + HE3 LYS 36 OK 80 100 80 100 5.0-6.5 6.0=82, 3.0/1064=43...(23) HA LYS 26 + HE2 LYS 26 OK 72 98 75 98 3.7-6.4 6.6=60, 282/3.6=31...(23) HA PHE 87 + HE3 LYS 86 OK 63 93 70 96 4.1-7.3 4.9/2704=69...(10) HA THR 25 + HE2 LYS 26 OK 59 92 65 98 4.4-6.6 11150/3.6=79...(7) HA LYS 36 + HE2 LYS 36 OK 48 97 50 100 5.2-6.5 6.0=82, 3.0/1064=43...(23) HA LEU 22 + HE3 LYS 24 OK 35 97 70 52 3.2-7.5 11967/4.0=16...(8) HA LEU 22 + HE2 LYS 24 OK 30 90 70 48 2.6-9.0 11967/4.0=16...(8) HA THR 18 + HE3 LYS 19 OK 21 92 25 90 5.2-8.0 ~10696=53, ~10692=49...(7) HA ALA 15 - HE2 LYS 19 poor 19 96 20 - 3.3-12.8 HA ARG 23 - HE2 LYS 24 poor 18 90 20 - 5.3-8.2 HA ALA 15 - HE3 LYS 19 far 15 99 15 - 4.2-13.5 HA ARG 23 - HE3 LYS 26 far 15 97 15 - 5.5-9.8 HA THR 18 - HE2 LYS 19 far 9 88 10 - 5.5-8.1 HA LYS 36 - HE2 LYS 26 far 5 100 5 - 4.3-11.5 HA LYS 36 - HE3 LYS 26 far 5 100 5 - 5.8-13.1 HA ARG 23 - HE2 LYS 31 far 5 98 5 - 5.0-20.1 HA ALA 12 - HE3 LYS 31 far 5 98 5 - 6.1-40.4 HA ARG 23 - HE3 LYS 24 far 5 97 5 - 4.4-8.2 HA ARG 23 - HE3 LYS 31 far 5 97 5 - 5.8-19.4 HA LYS 19 - HE3 LYS 24 far 5 97 5 - 5.0-13.6 HA ALA 12 - HE2 LYS 19 far 5 96 5 - 6.0-22.2 HA SER 74 - HE3 LYS 19 far 5 93 5 - 5.2-36.6 HA ALA 21 - HE3 LYS 86 far 5 92 5 - 6.1-29.7 HA SER 74 - HE2 LYS 19 far 4 89 5 - 5.8-36.2 HA LYS 19 - HE2 LYS 24 far 4 89 5 - 5.8-13.5 HA ALA 16 - HE3 LYS 19 lone 4 100 45 8 2.8-10.3 11966/10705=1, 7131/7.3=1 HA ALA 16 - HE2 LYS 19 lone 3 98 40 8 2.4-9.8 11966/10705=2, 7131/7.3=1 HA ALA 21 - HE3 LYS 24 lone 1 94 25 2 3.4-10.6 HA ALA 21 - HE2 LYS 24 lone 1 85 25 2 4.2-11.2 HA LYS 19 - HE3 LYS 31 far 0 97 0 - 6.3-26.2 HA LYS 31 - HE2 LYS 26 far 0 100 0 - 6.4-11.5 HA THR 25 - HE2 LYS 24 far 0 84 0 - 6.4-9.3 HA LEU 22 - HE3 LYS 26 far 0 97 0 - 6.5-14.0 HA ARG 23 - HE2 LYS 26 far 0 97 0 - 6.5-11.3 HA ALA 12 - HE3 LYS 19 far 0 99 0 - 6.5-22.7 HA ARG 84 - HE3 LYS 86 far 0 57 0 - 6.6-8.1 HA THR 25 - HE3 LYS 24 far 0 92 0 - 6.6-9.1 HA THR 18 - HE3 LYS 24 far 0 91 0 - 6.6-13.8 HA LYS 31 - HE3 LYS 26 far 0 100 0 - 6.8-12.3 HA ALA 16 - HE2 LYS 31 far 0 100 0 - 6.9-30.4 HA LEU 22 - HE2 LYS 26 far 0 97 0 - 6.9-15.6 HA ALA 12 - HE2 LYS 31 far 0 99 0 - 7.0-40.4 HA LYS 19 - HE2 LYS 31 far 0 97 0 - 7.1-26.6 HA ALA 21 - HE3 LYS 31 far 0 94 0 - 7.2-25.5 HA PHE 87 - HE3 LYS 19 far 0 96 0 - 7.2-42.2 HA LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-9.6 HA LYS 26 - HE3 LYS 31 far 0 98 0 - 7.5-15.0 HA SER 74 - HE3 LYS 86 far 0 91 0 - 7.5-9.7 HA THR 18 - HE2 LYS 24 far 0 82 0 - 7.6-15.0 HA LYS 31 - HE2 LYS 36 far 0 97 0 - 7.6-9.8 HA ALA 21 - HE3 LYS 19 far 0 95 0 - 7.6-10.3 HA LEU 22 - HE3 LYS 86 far 0 96 0 - 7.9-26.6 HA THR 18 - HE3 LYS 86 far 0 89 0 - 7.9-33.5 HA ALA 12 - HE3 LYS 86 far 0 97 0 - 8.1-39.4 HA THR 18 - HE3 LYS 26 far 0 91 0 - 8.2-19.3 HA LYS 26 - HE2 LYS 31 far 0 99 0 - 8.2-15.4 HA ALA 21 - HE2 LYS 31 far 0 95 0 - 8.2-26.1 HA THR 18 - HE3 LYS 31 far 0 91 0 - 8.3-28.4 HA ALA 16 - HE3 LYS 31 far 0 100 0 - 8.4-30.7 HA ALA 21 - HE3 LYS 26 far 0 94 0 - 8.4-15.9 HA ALA 15 - HE3 LYS 86 far 0 97 0 - 8.5-39.8 HA PHE 87 - HE2 LYS 19 far 0 92 0 - 8.5-42.1 HA LYS 26 - HE3 LYS 24 far 0 98 0 - 8.6-11.9 HA ALA 21 - HE2 LYS 19 far 0 91 0 - 8.7-10.4 HA LYS 31 - HE3 LYS 19 far 0 100 0 - 8.7-28.4 HA THR 25 - HE2 LYS 19 far 0 89 0 - 8.8-18.5 HA THR 25 - HE3 LYS 19 far 0 93 0 - 8.8-18.9 HA THR 18 - HE2 LYS 26 far 0 91 0 - 9.0-20.9 HA ALA 21 - HE2 LYS 26 far 0 94 0 - 9.0-17.3 HA ALA 15 - HE2 LYS 31 far 0 99 0 - 9.0-31.5 HA LEU 22 - HE3 LYS 31 far 0 97 0 - 9.0-24.6 HA ARG 23 - HE3 LYS 19 far 0 98 0 - 9.0-13.3 HA LEU 22 - HE2 LYS 31 far 0 98 0 - 9.1-24.1 HA ARG 23 - HE2 LYS 19 far 0 95 0 - 9.2-14.1 HA LYS 26 - HE2 LYS 24 far 0 91 0 - 9.3-11.8 HA LYS 19 - HE3 LYS 86 far 0 95 0 - 9.3-33.7 HA ALA 16 - HE3 LYS 86 far 0 99 0 - 9.5-38.9 HA LEU 22 - HE3 LYS 19 far 0 98 0 - 9.5-13.0 HA LYS 19 - HE3 LYS 26 far 0 97 0 - 9.6-19.2 HA SER 74 - HE3 LYS 24 far 0 92 0 - 9.6-24.1 HA LYS 26 - HE2 LYS 19 far 0 96 0 - 9.6-18.3 HA ARG 84 - HE3 LYS 19 far 0 60 0 - 9.7-44.8 HA THR 18 - HE2 LYS 31 far 0 92 0 - 9.7-28.5 HA LEU 22 - HE2 LYS 19 far 0 95 0 - 9.9-12.7 HA SER 74 - HE3 LYS 26 far 0 92 0 - 9.9-17.7 HA ARG 84 - HE2 LYS 19 far 0 56 0 - 9.9-44.9 HA LYS 31 - HE2 LYS 19 far 0 98 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 867 from cnoeabs.peaks (1.74, 2.96, 41.80 ppm; 6.71 A): 10 out of 44 assignments used, quality = 1.00: * HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-5.5 4.8=100 HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 3.0-5.1 4.8=100 HB2 LYS 24 + HE3 LYS 24 OK 99 99 100 100 2.2-5.4 5.1=100 HB2 LYS 19 + HE3 LYS 19 OK 99 99 100 100 2.5-4.5 5.1=100 HB2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 3.5-5.0 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 4.2-5.5 4.8=100 HB ILE 80 + HE3 LYS 86 OK 98 98 100 100 2.0-5.4 ~11777=89, ~11877=88...(20) HB2 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.9-4.6 5.1=100 HB2 LYS 24 + HE2 LYS 24 OK 93 93 100 100 3.6-5.5 5.1=100 HG3 ARG 90 + HE3 LYS 86 OK 79 94 85 99 3.7-8.7 9651/9655=90...(6) HB2 ARG 23 - HE3 LYS 24 poor 19 95 20 - 6.2-9.9 HB2 ARG 23 - HE2 LYS 24 poor 11 87 30 44 5.6-10.2 4.2/2703=8, ~3938=6...(19) HB2 ARG 23 - HE2 LYS 26 far 9 95 10 - 5.5-13.0 HB ILE 80 - HE3 LYS 19 far 5 99 5 - 6.5-38.3 HB2 LYS 26 - HE2 LYS 31 far 5 99 5 - 6.8-15.8 HB2 LYS 19 - HE3 LYS 31 far 5 98 5 - 6.4-27.0 HB2 LYS 26 - HE3 LYS 31 far 5 98 5 - 6.6-15.7 HB2 LYS 19 - HE3 LYS 24 far 5 98 5 - 6.8-15.7 HG3 ARG 90 - HE3 LYS 19 far 5 97 5 - 4.1-39.0 HB2 ARG 23 - HE2 LYS 31 far 5 96 5 - 4.8-21.9 HB2 ARG 23 - HE3 LYS 31 far 5 95 5 - 4.8-21.0 HB2 ARG 23 - HE3 LYS 26 far 5 95 5 - 5.2-11.7 HG3 ARG 90 - HE2 LYS 19 far 5 93 5 - 4.9-38.8 HB2 LYS 31 - HE3 LYS 26 lone 2 100 25 8 4.4-12.1 6331/6337=2, 294/3.0=1 HB2 LYS 31 - HE2 LYS 26 lone 2 100 25 8 4.9-11.4 6331/6338=2, 294/3.0=1 HB2 LYS 19 - HE2 LYS 31 far 0 99 0 - 7.3-27.4 HB2 LYS 24 - HE3 LYS 26 far 0 99 0 - 7.4-9.9 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 7.5-17.7 HB2 LYS 19 - HE2 LYS 24 far 0 92 0 - 7.8-15.4 HB2 LYS 24 - HE2 LYS 19 far 0 98 0 - 7.8-17.5 HB2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.9-25.8 HB2 ARG 23 - HE3 LYS 19 far 0 96 0 - 7.9-12.3 HB2 ARG 23 - HE3 LYS 86 far 0 93 0 - 8.0-27.8 HB ILE 80 - HE2 LYS 19 far 0 97 0 - 8.2-38.1 HB2 LYS 19 - HE3 LYS 86 far 0 97 0 - 8.3-35.8 HB2 LYS 24 - HE2 LYS 26 far 0 99 0 - 8.3-10.9 HB2 LYS 31 - HE2 LYS 24 far 0 94 0 - 8.4-21.1 HB2 LYS 31 - HE2 LYS 19 far 0 98 0 - 8.4-24.2 HB2 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-11.9 HB2 ARG 23 - HE2 LYS 19 far 0 92 0 - 8.5-13.2 HB2 LYS 19 - HE3 LYS 26 far 0 98 0 - 8.5-20.9 HB2 LYS 31 - HE2 LYS 36 far 0 97 0 - 8.8-11.9 HB2 LYS 19 - HE2 LYS 26 far 0 98 0 - 9.3-21.9 HB2 LYS 31 - HE3 LYS 24 far 0 100 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 868 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 5.30 A): 12 out of 63 assignments used, quality = 1.00: * HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-5.3 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 3.2-5.4 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-5.0 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.4-4.6 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.8-4.2 4.9=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 3.6-5.0 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 3.7-4.6 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 3.3-5.4 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.5-4.5 4.9=100 HB3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.0-5.0 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 86 86 100 100 1.8-3.6 4.9=100 HB ILE 32 + HE2 LYS 26 OK 79 99 80 100 4.9-6.6 2.1/10766=78...(43) HB3 ARG 23 - HE2 LYS 26 far 10 96 10 - 4.6-12.5 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 5.6-25.7 HB3 LYS 19 - HE3 LYS 31 far 5 100 5 - 4.9-25.2 HB3 LYS 19 - HE3 LYS 24 far 5 100 5 - 5.6-14.9 HB2 LYS 36 - HE2 LYS 26 far 5 99 5 - 5.4-11.8 HB ILE 32 - HE3 LYS 26 far 5 99 5 - 4.6-7.5 HB3 ARG 23 - HE3 LYS 26 far 5 96 5 - 3.7-11.8 HB3 ARG 23 - HE2 LYS 24 far 4 88 5 - 4.7-9.9 HB3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.0-13.3 HB3 ARG 23 - HE3 LYS 24 far 0 96 0 - 6.1-9.9 HB3 ARG 23 - HE2 LYS 31 far 0 97 0 - 6.2-23.1 HB ILE 32 - HE2 LYS 31 far 0 99 0 - 6.3-10.3 HB3 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.3-12.4 HB3 ARG 23 - HE3 LYS 31 far 0 96 0 - 6.4-22.1 HB3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-14.0 HB3 LYS 19 - HE2 LYS 24 far 0 94 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 99 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 63 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 99 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 99 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 99 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 99 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 89 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 99 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 90 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 100 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 96 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 86 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 98 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 65 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 84 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 99 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 87 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 64 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 94 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 100 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 100 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 98 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 97 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 94 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 64 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 93 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 98 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 61 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 64 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 869 from cnoeabs.peaks (1.44, 2.96, 41.80 ppm; 3.93 A): 11 out of 56 assignments used, quality = 1.00: * HG2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-4.0 3.7=100 HG3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.2-3.7 3.8=100 HG2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HG3 LYS 24 + HE3 LYS 24 OK 98 99 100 99 2.3-3.9 4.0=96, 484/6.4=22...(17) HG3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.1-3.9 3.8=100 HG2 LYS 26 + HE3 LYS 26 OK 97 97 100 100 2.2-3.8 3.6=100 HG2 LYS 26 + HE2 LYS 26 OK 97 97 100 100 2.7-4.1 3.6=100 HG3 LYS 24 + HE2 LYS 24 OK 92 93 100 99 2.3-4.0 4.0=96, 484/6.4=22...(17) HG2 LYS 86 + HE3 LYS 86 OK 78 78 100 100 2.5-3.7 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 69 70 100 99 2.0-3.5 4.0=95, 3.0/1064=25...(17) HG3 LYS 36 + HE2 LYS 36 OK 64 65 100 99 2.0-3.5 4.0=95, 3.0/1064=25...(17) HG13 ILE 32 - HE2 LYS 26 poor 20 100 20 - 3.5-6.7 QB ALA 34 - HE3 LYS 26 far 7 75 10 - 4.0-7.8 QB ALA 34 - HE2 LYS 26 poor 6 75 35 23 3.1-7.1 908/10766=19, 6364/876=3 HG3 LYS 19 - HE3 LYS 31 far 5 100 5 - 4.4-25.7 HG13 ILE 32 - HE3 LYS 26 far 0 100 0 - 4.5-7.4 HG3 LYS 19 - HE2 LYS 31 far 0 100 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 99 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 100 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.5-13.4 HG2 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.6-15.6 HG13 ILE 32 - HE2 LYS 31 far 0 100 0 - 6.7-10.1 HG2 LYS 86 - HE3 LYS 19 far 0 81 0 - 6.8-38.5 HG13 ILE 32 - HE3 LYS 31 far 0 100 0 - 6.9-10.1 HG2 LYS 26 - HE3 LYS 31 far 0 97 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 100 0 - 7.0-15.8 HG3 LYS 36 - HE2 LYS 26 far 0 70 0 - 7.1-13.4 QB ALA 34 - HE2 LYS 19 far 0 72 0 - 7.3-24.1 HG3 LYS 19 - HE3 LYS 26 far 0 100 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-12.4 QB ALA 34 - HE2 LYS 31 far 0 76 0 - 7.5-11.5 HG3 LYS 19 - HE2 LYS 26 far 0 100 0 - 7.6-21.0 QB ALA 34 - HE3 LYS 36 far 0 75 0 - 7.6-8.5 HG2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-26.4 QB ALA 34 - HE2 LYS 36 far 0 70 0 - 7.9-8.4 HG2 LYS 31 - HE2 LYS 36 far 0 97 0 - 8.0-11.8 QB ALA 34 - HE3 LYS 31 far 0 75 0 - 8.0-12.3 HG2 LYS 86 - HE2 LYS 19 far 0 76 0 - 8.4-38.3 HG2 LYS 31 - HE2 LYS 19 far 0 98 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 94 0 - 8.4-15.9 QB ALA 34 - HE3 LYS 19 far 0 76 0 - 8.5-24.4 HG3 LYS 24 - HE3 LYS 19 far 0 100 0 - 8.6-17.0 QB ALA 34 - HE3 LYS 86 far 0 73 0 - 8.7-11.0 HG3 LYS 36 - HE3 LYS 26 far 0 70 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 71 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 94 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 100 0 - 9.0-11.0 HG3 LYS 24 - HE2 LYS 19 far 0 98 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 99 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 97 0 - 9.4-11.1 QB ALA 92 - HE3 LYS 86 far 0 93 0 - 9.6-11.3 HG3 LYS 24 - HE2 LYS 26 far 0 99 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 70 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 98 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 97 0 - 9.8-14.5 QB ALA 34 - HE3 LYS 24 far 0 75 0 - 9.9-15.9 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 75 assignments used, quality = 1.00: * HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-4.2 3.7=100 HG3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-4.0 3.7=100 HG3 LYS 26 + HE3 LYS 26 OK 97 97 100 100 2.0-3.4 3.6=100 HG3 LYS 26 + HE2 LYS 26 OK 97 97 100 100 2.3-3.8 3.6=100 HG2 LYS 36 + HE3 LYS 36 OK 97 97 100 100 3.1-4.2 4.0=100 HG2 LYS 24 + HE3 LYS 24 OK 96 96 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 93 93 100 100 3.1-4.1 4.0=100 HG2 LYS 24 + HE2 LYS 24 OK 88 88 100 100 2.1-4.1 4.0=100 HG2 LYS 19 + HE3 LYS 19 OK 68 68 100 100 2.1-4.1 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 64 64 100 100 2.8-3.7 3.8=100 QB ALA 15 - HE3 LYS 19 far 15 99 15 - 4.1-12.5 QB ALA 15 - HE2 LYS 19 far 14 96 15 - 3.9-11.9 QB ALA 29 - HE2 LYS 26 far 10 97 10 - 3.3-7.6 QB ALA 29 - HE3 LYS 26 far 10 97 10 - 4.1-8.3 QB ALA 34 - HE3 LYS 26 far 6 62 10 - 4.0-7.8 QB ALA 16 - HE2 LYS 31 far 5 93 5 - 3.9-25.9 HG2 LYS 19 - HE3 LYS 31 far 3 67 5 - 4.6-26.0 QB ALA 34 - HE2 LYS 26 lone 1 62 40 6 3.1-7.1 908/10766=5 QB ALA 16 - HE2 LYS 19 lone 1 89 40 3 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 1 93 35 3 2.7-9.0 QB ALA 16 - HE3 LYS 31 far 0 92 0 - 5.2-26.1 QB ALA 15 - HE3 LYS 86 far 0 97 0 - 5.8-32.2 QB ALA 28 - HE2 LYS 26 far 0 98 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 68 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 98 0 - 6.1-9.5 HG3 LYS 31 - HE3 LYS 36 far 0 100 0 - 6.3-11.5 HG2 LYS 19 - HE3 LYS 24 far 0 67 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 97 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 65 0 - 6.8-34.9 QB ALA 29 - HE3 LYS 36 far 0 97 0 - 6.9-10.3 QB ALA 29 - HE2 LYS 36 far 0 93 0 - 7.1-9.7 QB ALA 34 - HE2 LYS 19 far 0 59 0 - 7.3-24.1 HG2 LYS 36 - HE2 LYS 26 far 0 97 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 97 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 98 0 - 7.5-22.4 QB ALA 34 - HE2 LYS 31 far 0 63 0 - 7.5-11.5 QB ALA 34 - HE3 LYS 36 far 0 62 0 - 7.6-8.5 QB ALA 29 - HE3 LYS 31 far 0 97 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-28.1 QB ALA 28 - HE2 LYS 31 far 0 99 0 - 7.8-11.0 QB ALA 34 - HE2 LYS 36 far 0 58 0 - 7.9-8.4 QB ALA 28 - HE3 LYS 24 far 0 98 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 59 0 - 8.0-15.1 QB ALA 34 - HE3 LYS 31 far 0 62 0 - 8.0-12.3 QB ALA 28 - HE3 LYS 31 far 0 98 0 - 8.0-11.2 HG3 LYS 31 - HE2 LYS 24 far 0 94 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 98 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 98 0 - 8.3-23.7 QB ALA 34 - HE3 LYS 19 far 0 63 0 - 8.5-24.4 HG3 LYS 26 - HE3 LYS 31 far 0 97 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 98 0 - 8.6-26.5 QB ALA 34 - HE3 LYS 86 far 0 60 0 - 8.7-11.0 HG2 LYS 24 - HE3 LYS 26 far 0 96 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 67 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 92 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 97 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 67 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 95 0 - 9.1-20.4 QB ALA 16 - HE2 LYS 24 far 0 84 0 - 9.1-18.0 QB ALA 15 - HE2 LYS 31 far 0 99 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 97 0 - 9.3-15.5 QB ALA 16 - HE3 LYS 86 far 0 91 0 - 9.6-34.1 HG2 LYS 36 - HE2 LYS 31 far 0 97 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 97 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 93 0 - 9.7-15.4 HG3 LYS 26 - HE3 LYS 19 far 0 98 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 97 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 100 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 96 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 98 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 90 0 - 9.9-12.6 QB ALA 34 - HE3 LYS 24 far 0 62 0 - 9.9-15.9 HG2 LYS 24 - HE3 LYS 31 far 0 96 0 - 10.0-22.2 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 74 assignments used, quality = 1.00: * HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.3-3.0 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 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 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 2.3-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 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 2.3-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.8-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.5-3.0 3.0=100 HD2 LYS 19 + HE3 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 2.2-3.0 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 HD3 LYS 36 + HE2 LYS 36 OK 94 94 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 94 94 100 100 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 HD3 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.3-3.0 2.9=100 HD3 LYS 86 - HE3 LYS 19 far 0 100 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 100 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 98 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 97 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 98 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 95 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 98 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 95 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 70 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 99 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 97 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 98 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 97 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 93 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 70 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 95 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 93 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 95 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 97 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 73 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 97 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 87 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 69 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 97 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 95 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 95 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 87 0 - 9.9-17.4 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 74 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 2.3-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 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 2.3-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 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 HD2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 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 2.3-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.8-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.5-3.0 3.0=100 HD2 LYS 19 + HE3 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 2.2-3.0 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 HD2 LYS 19 + HE2 LYS 19 OK 93 93 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 93 93 100 100 2.3-3.0 2.9=100 HD3 LYS 36 + HE2 LYS 36 OK 93 93 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 93 93 100 100 2.4-3.0 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 100 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 100 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 98 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 97 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 98 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 96 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 97 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 96 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 97 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 73 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 99 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 97 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 97 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 94 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 73 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 96 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 94 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 96 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 97 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 76 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 97 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 88 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 72 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 97 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 96 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 96 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 88 0 - 9.9-17.4 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): 10 out of 29 assignments used, quality = 1.00: * H LYS 31 + HE3 LYS 31 OK 100 100 100 100 4.0-7.0 6332/4.8=98, 6331/4.8=98...(50) H LYS 31 + HE2 LYS 31 OK 100 100 100 100 4.1-6.9 6332/4.8=98, 6331/4.8=98...(50) H SER 33 + HE2 LYS 26 OK 97 100 100 97 2.4-7.2 6362/10766=80...(6) H ARG 23 + HE3 LYS 24 OK 62 92 75 89 3.7-7.6 6211/7.4=60, 832/4.0=36...(17) H ALA 29 + HE2 LYS 26 OK 61 92 95 70 4.5-8.0 934/9008=23...(22) H SER 33 + HE3 LYS 36 OK 55 98 60 94 6.4-7.9 10896/7.3=57...(6) H ARG 23 + HE2 LYS 24 OK 53 79 75 89 3.6-8.6 6211/7.4=60, 832/4.0=36...(18) H SER 33 + HE2 LYS 36 OK 52 92 60 94 6.9-7.8 10896/7.3=57...(6) H SER 33 + HE3 LYS 26 OK 44 100 60 73 3.3-8.5 10855/3.0=31...(5) H ALA 29 + HE3 LYS 26 OK 39 92 65 66 5.4-8.6 934/9008=22, 6337/1.8=11...(23) H SER 33 - HE2 LYS 31 poor 20 100 20 - 6.0-10.4 H GLU 30 - HE2 LYS 26 poor 18 60 30 - 5.9-8.7 H SER 33 - HE3 LYS 31 far 10 100 10 - 6.0-10.5 H GLU 30 - HE3 LYS 26 far 9 60 15 - 6.3-9.4 H LYS 31 - HE3 LYS 26 poor 7 100 25 29 5.4-11.0 10802/9008=18...(5) H LYS 31 - HE2 LYS 26 poor 6 100 20 31 5.2-10.3 10802/9008=19...(5) H GLU 30 - HE3 LYS 31 far 6 60 10 - 6.9-10.3 H GLU 30 - HE2 LYS 31 far 6 59 10 - 6.8-10.1 H ARG 23 - HE3 LYS 31 far 5 96 5 - 5.9-22.3 H ARG 23 - HE3 LYS 26 far 5 96 5 - 6.9-12.3 H ARG 23 - HE2 LYS 31 far 5 95 5 - 5.7-22.6 H ARG 23 - HE2 LYS 26 far 0 96 0 - 7.5-13.7 H ARG 23 - HE3 LYS 19 far 0 95 0 - 8.7-12.1 H ALA 29 - HE2 LYS 31 far 0 91 0 - 8.7-12.9 H ARG 23 - HE3 LYS 86 far 0 89 0 - 8.8-27.4 H ALA 29 - HE3 LYS 31 far 0 92 0 - 9.0-12.5 H ARG 23 - HE2 LYS 19 far 0 87 0 - 9.5-11.6 H LYS 31 - HE3 LYS 36 far 0 98 0 - 9.6-11.8 H LYS 31 - HE2 LYS 36 far 0 92 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 877 from cnoeabs.peaks (4.28, 2.97, 41.80 ppm; 5.54 A): 14 out of 93 assignments used, quality = 1.00: * HA LYS 31 + HE3 LYS 31 OK 99 100 100 99 2.0-5.9 6.5=63, 822/3.7=37...(27) HA LYS 31 + HE2 LYS 31 OK 99 100 100 99 2.1-5.2 6.5=63, 822/3.7=37...(27) HA THR 25 + HE3 LYS 26 OK 91 93 100 98 3.5-5.7 11150/3.6=78, 9587=71...(7) HA LYS 26 + HE3 LYS 26 OK 91 99 95 98 3.0-6.3 6.6=59, 282/3.6=31...(22) HA LYS 19 + HE3 LYS 19 OK 86 97 90 99 4.9-6.3 6.4=66, 271/3.8=30...(35) HA LYS 19 + HE2 LYS 19 OK 80 89 90 99 5.1-6.2 6.4=66, 271/3.8=30...(35) HA LYS 36 + HE3 LYS 36 OK 78 98 80 100 5.0-6.5 6.0=80, 3.0/1064=42...(23) HA LYS 26 + HE2 LYS 26 OK 68 99 70 98 3.7-6.4 6.6=59, 282/3.6=31...(23) HA PHE 87 + HE3 LYS 86 OK 59 89 70 95 4.1-7.3 4.9/2704=66...(10) HA THR 25 + HE2 LYS 26 OK 50 93 55 98 4.4-6.6 11150/3.6=78...(7) HA LYS 36 + HE2 LYS 36 OK 46 92 50 100 5.2-6.5 6.0=80, 3.0/1064=41...(23) HA LEU 22 + HE3 LYS 24 OK 34 95 70 52 3.2-7.5 11967/4.0=16...(8) HA LEU 22 + HE2 LYS 24 OK 28 83 70 48 2.6-9.0 11967/4.0=16...(8) HA THR 18 + HE3 LYS 19 OK 20 91 25 89 5.2-8.0 ~10696=52, ~10692=49...(7) HA ALA 21 - HE2 LYS 24 poor 19 78 25 - 4.2-11.2 HA ALA 15 - HE2 LYS 19 poor 18 91 20 - 3.3-12.8 HA ARG 23 - HE2 LYS 24 poor 17 83 20 - 5.3-8.2 HA ARG 23 - HE3 LYS 26 far 15 98 15 - 5.5-9.8 HA ALA 15 - HE3 LYS 19 far 10 98 10 - 4.2-13.5 HA THR 18 - HE2 LYS 19 far 8 82 10 - 5.5-8.1 HA LYS 36 - HE2 LYS 26 far 5 100 5 - 4.3-11.5 HA LYS 36 - HE3 LYS 26 far 5 100 5 - 5.8-13.1 HA ARG 23 - HE3 LYS 31 far 5 98 5 - 5.8-19.4 HA ARG 23 - HE2 LYS 31 far 5 97 5 - 5.0-20.1 HA ARG 23 - HE3 LYS 24 far 5 95 5 - 4.4-8.2 HA LYS 19 - HE3 LYS 24 far 5 94 5 - 5.0-13.6 HA SER 74 - HE3 LYS 19 far 5 92 5 - 5.2-36.6 HA ALA 12 - HE2 LYS 19 far 5 91 5 - 6.0-22.2 HA ALA 21 - HE3 LYS 86 far 4 87 5 - 6.1-29.7 HA SER 74 - HE2 LYS 19 far 4 84 5 - 5.8-36.2 HA LYS 19 - HE2 LYS 24 far 4 82 5 - 5.8-13.5 HA ALA 16 - HE3 LYS 19 lone 4 100 45 8 2.8-10.3 11966/10705=1, 7131/7.3=1 HA ALA 16 - HE2 LYS 19 lone 3 94 40 8 2.4-9.8 11966/10705=2, 7131/7.3=1 HA ALA 21 - HE3 LYS 24 lone 1 91 25 2 3.4-10.6 HA ALA 12 - HE3 LYS 31 far 0 99 0 - 6.1-40.4 HA LYS 19 - HE3 LYS 31 far 0 97 0 - 6.3-26.2 HA LYS 31 - HE2 LYS 26 far 0 100 0 - 6.4-11.5 HA THR 25 - HE2 LYS 24 far 0 76 0 - 6.4-9.3 HA LEU 22 - HE3 LYS 26 far 0 98 0 - 6.5-14.0 HA ARG 23 - HE2 LYS 26 far 0 98 0 - 6.5-11.3 HA ALA 12 - HE3 LYS 19 far 0 98 0 - 6.5-22.7 HA ARG 84 - HE3 LYS 86 far 0 53 0 - 6.6-8.1 HA THR 25 - HE3 LYS 24 far 0 89 0 - 6.6-9.1 HA THR 18 - HE3 LYS 24 far 0 88 0 - 6.6-13.8 HA LYS 31 - HE3 LYS 26 far 0 100 0 - 6.8-12.3 HA ALA 16 - HE2 LYS 31 far 0 100 0 - 6.9-30.4 HA LEU 22 - HE2 LYS 26 far 0 98 0 - 6.9-15.6 HA ALA 12 - HE2 LYS 31 far 0 98 0 - 7.0-40.4 HA LYS 19 - HE2 LYS 31 far 0 97 0 - 7.1-26.6 HA ALA 21 - HE3 LYS 31 far 0 95 0 - 7.2-25.5 HA PHE 87 - HE3 LYS 19 far 0 95 0 - 7.2-42.2 HA LYS 31 - HE3 LYS 36 far 0 98 0 - 7.4-9.6 HA LYS 26 - HE3 LYS 31 far 0 99 0 - 7.5-15.0 HA SER 74 - HE3 LYS 86 far 0 86 0 - 7.5-9.7 HA THR 18 - HE2 LYS 24 far 0 75 0 - 7.6-15.0 HA LYS 31 - HE2 LYS 36 far 0 92 0 - 7.6-9.8 HA ALA 21 - HE3 LYS 19 far 0 94 0 - 7.6-10.3 HA LEU 22 - HE3 LYS 86 far 0 92 0 - 7.9-26.6 HA THR 18 - HE3 LYS 86 far 0 84 0 - 7.9-33.5 HA ALA 12 - HE3 LYS 86 far 0 93 0 - 8.1-39.4 HA THR 18 - HE3 LYS 26 far 0 92 0 - 8.2-19.3 HA LYS 26 - HE2 LYS 31 far 0 98 0 - 8.2-15.4 HA ALA 21 - HE2 LYS 31 far 0 94 0 - 8.2-26.1 HA THR 18 - HE3 LYS 31 far 0 92 0 - 8.3-28.4 HA ALA 16 - HE3 LYS 31 far 0 100 0 - 8.4-30.7 HA ALA 21 - HE3 LYS 26 far 0 95 0 - 8.4-15.9 HA ALA 15 - HE3 LYS 86 far 0 93 0 - 8.5-39.8 HA PHE 87 - HE2 LYS 19 far 0 87 0 - 8.5-42.1 HA LYS 26 - HE3 LYS 24 far 0 96 0 - 8.6-11.9 HA ALA 21 - HE2 LYS 19 far 0 85 0 - 8.7-10.4 HA LYS 31 - HE3 LYS 19 far 0 100 0 - 8.7-28.4 HA THR 25 - HE2 LYS 19 far 0 84 0 - 8.8-18.5 HA THR 25 - HE3 LYS 19 far 0 92 0 - 8.8-18.9 HA THR 18 - HE2 LYS 26 far 0 92 0 - 9.0-20.9 HA ALA 21 - HE2 LYS 26 far 0 95 0 - 9.0-17.3 HA ALA 15 - HE2 LYS 31 far 0 98 0 - 9.0-31.5 HA LEU 22 - HE3 LYS 31 far 0 98 0 - 9.0-24.6 HA ARG 23 - HE3 LYS 19 far 0 97 0 - 9.0-13.3 HA LEU 22 - HE2 LYS 31 far 0 97 0 - 9.1-24.1 HA ARG 23 - HE2 LYS 19 far 0 90 0 - 9.2-14.1 HA LYS 26 - HE2 LYS 24 far 0 83 0 - 9.3-11.8 HA LYS 19 - HE3 LYS 86 far 0 91 0 - 9.3-33.7 HA ALA 16 - HE3 LYS 86 far 0 96 0 - 9.5-38.9 HA LEU 22 - HE3 LYS 19 far 0 97 0 - 9.5-13.0 HA LYS 19 - HE3 LYS 26 far 0 97 0 - 9.6-19.2 HA SER 74 - HE3 LYS 24 far 0 89 0 - 9.6-24.1 HA LYS 26 - HE2 LYS 19 far 0 91 0 - 9.6-18.3 HA ARG 84 - HE3 LYS 19 far 0 59 0 - 9.7-44.8 HA THR 18 - HE2 LYS 31 far 0 91 0 - 9.7-28.5 HA LEU 22 - HE2 LYS 19 far 0 90 0 - 9.9-12.7 HA SER 74 - HE3 LYS 26 far 0 93 0 - 9.9-17.7 HA ARG 84 - HE2 LYS 19 far 0 52 0 - 9.9-44.9 HA LYS 31 - HE2 LYS 19 far 0 94 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 878 from cnoeabs.peaks (1.74, 2.97, 41.80 ppm; 6.55 A): 10 out of 44 assignments used, quality = 1.00: * HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 3.0-5.1 4.8=100 HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-5.5 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 99 99 100 100 3.5-5.0 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 99 99 100 100 4.2-5.5 4.8=100 HB2 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.5-4.5 5.1=100 HB2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-5.4 5.1=100 HB ILE 80 + HE3 LYS 86 OK 94 94 100 100 2.0-5.4 ~11777=87, ~11877=86...(20) HB2 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.9-4.6 5.1=100 HB2 LYS 24 + HE2 LYS 24 OK 86 86 100 100 3.6-5.5 5.1=100 HG3 ARG 90 + HE3 LYS 86 OK 70 90 80 98 3.7-8.7 9651/9655=85...(6) HB2 ARG 23 - HE2 LYS 24 poor 20 79 25 - 5.6-10.2 HB2 ARG 23 - HE3 LYS 24 poor 18 92 20 - 6.2-9.9 HB2 ARG 23 - HE2 LYS 26 far 10 96 10 - 5.5-13.0 HB2 LYS 19 - HE3 LYS 31 far 5 99 5 - 6.4-27.0 HB2 LYS 26 - HE3 LYS 31 far 5 99 5 - 6.6-15.7 HB ILE 80 - HE3 LYS 19 far 5 99 5 - 6.5-38.3 HB2 LYS 26 - HE2 LYS 31 far 5 98 5 - 6.8-15.8 HG3 ARG 90 - HE3 LYS 19 far 5 96 5 - 4.1-39.0 HB2 LYS 19 - HE3 LYS 24 far 5 96 5 - 6.8-15.7 HB2 ARG 23 - HE3 LYS 31 far 5 96 5 - 4.8-21.0 HB2 ARG 23 - HE3 LYS 26 far 5 96 5 - 5.2-11.7 HB2 ARG 23 - HE2 LYS 31 far 5 95 5 - 4.8-21.9 HG3 ARG 90 - HE2 LYS 19 far 4 88 5 - 4.9-38.8 HB2 LYS 31 - HE3 LYS 26 lone 2 100 25 8 4.4-12.1 6331/6337=2, 294/3.0=1 HB2 LYS 31 - HE2 LYS 26 lone 1 100 20 7 4.9-11.4 6331/6338=2, 294/3.0=1 HB2 LYS 19 - HE2 LYS 31 far 0 98 0 - 7.3-27.4 HB2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.4-9.9 HB2 LYS 24 - HE3 LYS 19 far 0 99 0 - 7.5-17.7 HB2 LYS 19 - HE2 LYS 24 far 0 84 0 - 7.8-15.4 HB2 LYS 24 - HE2 LYS 19 far 0 93 0 - 7.8-17.5 HB2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.9-25.8 HB2 ARG 23 - HE3 LYS 19 far 0 95 0 - 7.9-12.3 HB2 ARG 23 - HE3 LYS 86 far 0 89 0 - 8.0-27.8 HB ILE 80 - HE2 LYS 19 far 0 92 0 - 8.2-38.1 HB2 LYS 19 - HE3 LYS 86 far 0 93 0 - 8.3-35.8 HB2 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-10.9 HB2 LYS 31 - HE2 LYS 24 far 0 87 0 - 8.4-21.1 HB2 LYS 31 - HE2 LYS 19 far 0 94 0 - 8.4-24.2 HB2 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.4-11.9 HB2 ARG 23 - HE2 LYS 19 far 0 87 0 - 8.5-13.2 HB2 LYS 19 - HE3 LYS 26 far 0 99 0 - 8.5-20.9 HB2 LYS 31 - HE2 LYS 36 far 0 92 0 - 8.8-11.9 HB2 LYS 19 - HE2 LYS 26 far 0 99 0 - 9.3-21.9 HB2 LYS 31 - HE3 LYS 24 far 0 98 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 879 from cnoeabs.peaks (1.81, 2.97, 41.80 ppm; 5.25 A): 12 out of 63 assignments used, quality = 1.00: * HB3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-5.0 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-5.3 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 3.2-5.4 5.1=100 HB3 LYS 26 + HE2 LYS 26 OK 99 99 100 100 3.6-5.0 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 99 99 100 100 3.7-4.6 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.4-4.6 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.8-4.2 4.9=100 HB3 LYS 19 + HE2 LYS 19 OK 94 94 100 100 3.3-5.4 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 91 91 100 100 3.5-4.5 4.9=100 HB3 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.0-5.0 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 81 81 100 100 1.8-3.6 4.9=100 HB ILE 32 + HE2 LYS 26 OK 80 99 80 100 4.9-6.6 2.1/10766=78...(43) HB3 ARG 23 - HE2 LYS 26 far 10 97 10 - 4.6-12.5 HB3 LYS 19 - HE3 LYS 31 far 5 100 5 - 4.9-25.2 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 5.6-25.7 HB2 LYS 36 - HE2 LYS 26 far 5 100 5 - 5.4-11.8 HB ILE 32 - HE3 LYS 26 far 5 99 5 - 4.6-7.5 HB3 LYS 19 - HE3 LYS 24 far 5 98 5 - 5.6-14.9 HB3 ARG 23 - HE3 LYS 26 far 5 97 5 - 3.7-11.8 HB3 ARG 23 - HE2 LYS 24 far 4 80 5 - 4.7-9.9 HB3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.0-13.3 HB3 ARG 23 - HE3 LYS 24 far 0 93 0 - 6.1-9.9 HB3 ARG 23 - HE2 LYS 31 far 0 96 0 - 6.2-23.1 HB ILE 32 - HE2 LYS 31 far 0 99 0 - 6.3-10.3 HB3 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.3-12.4 HB3 ARG 23 - HE3 LYS 31 far 0 97 0 - 6.4-22.1 HB3 LYS 26 - HE3 LYS 31 far 0 99 0 - 6.5-14.0 HB3 LYS 19 - HE2 LYS 24 far 0 87 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 58 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 95 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 97 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 96 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 99 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 88 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 100 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 89 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 100 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 90 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 81 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 99 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 94 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 64 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 79 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 100 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 83 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 65 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 90 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 100 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 98 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 94 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 96 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 87 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 65 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 92 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 88 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 94 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 57 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 61 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 880 from cnoeabs.peaks (1.44, 2.97, 41.80 ppm; 3.92 A): 11 out of 56 assignments used, quality = 1.00: * HG2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HG2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-4.0 3.7=100 HG3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.2-3.7 3.8=100 HG2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.2-3.8 3.6=100 HG2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.7-4.1 3.6=100 HG3 LYS 24 + HE3 LYS 24 OK 96 98 100 98 2.3-3.9 4.0=95, 484/6.4=22...(17) HG3 LYS 19 + HE2 LYS 19 OK 94 94 100 100 2.1-3.9 3.8=100 HG3 LYS 24 + HE2 LYS 24 OK 85 86 100 98 2.3-4.0 4.0=95, 484/6.4=22...(17) HG2 LYS 86 + HE3 LYS 86 OK 73 73 100 100 2.5-3.7 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 65 67 100 98 2.0-3.5 4.0=94, 3.0/1064=24...(17) HG3 LYS 36 + HE2 LYS 36 OK 59 60 100 98 2.0-3.5 4.0=94, 3.0/1064=24...(17) HG13 ILE 32 - HE2 LYS 26 far 15 100 15 - 3.5-6.7 QB ALA 34 - HE3 LYS 26 far 8 76 10 - 4.0-7.8 QB ALA 34 - HE2 LYS 26 poor 6 76 35 22 3.1-7.1 908/10766=18, 6364/876=3 HG3 LYS 19 - HE3 LYS 31 far 5 100 5 - 4.4-25.7 HG13 ILE 32 - HE3 LYS 26 far 0 100 0 - 4.5-7.4 HG3 LYS 19 - HE2 LYS 31 far 0 100 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 95 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 100 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.5-13.4 HG2 LYS 26 - HE2 LYS 31 far 0 97 0 - 6.6-15.6 HG13 ILE 32 - HE2 LYS 31 far 0 100 0 - 6.7-10.1 HG2 LYS 86 - HE3 LYS 19 far 0 80 0 - 6.8-38.5 HG13 ILE 32 - HE3 LYS 31 far 0 100 0 - 6.9-10.1 HG2 LYS 26 - HE3 LYS 31 far 0 98 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 98 0 - 7.0-15.8 HG3 LYS 36 - HE2 LYS 26 far 0 71 0 - 7.1-13.4 QB ALA 34 - HE2 LYS 19 far 0 66 0 - 7.3-24.1 HG3 LYS 19 - HE3 LYS 26 far 0 100 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.4-12.4 QB ALA 34 - HE2 LYS 31 far 0 75 0 - 7.5-11.5 HG3 LYS 19 - HE2 LYS 26 far 0 100 0 - 7.6-21.0 QB ALA 34 - HE3 LYS 36 far 0 72 0 - 7.6-8.5 HG2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-26.4 QB ALA 34 - HE2 LYS 36 far 0 64 0 - 7.9-8.4 HG2 LYS 31 - HE2 LYS 36 far 0 92 0 - 8.0-11.8 QB ALA 34 - HE3 LYS 31 far 0 76 0 - 8.0-12.3 HG2 LYS 86 - HE2 LYS 19 far 0 71 0 - 8.4-38.3 HG2 LYS 31 - HE2 LYS 19 far 0 94 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 87 0 - 8.4-15.9 QB ALA 34 - HE3 LYS 19 far 0 75 0 - 8.5-24.4 HG3 LYS 24 - HE3 LYS 19 far 0 99 0 - 8.6-17.0 QB ALA 34 - HE3 LYS 86 far 0 68 0 - 8.7-11.0 HG3 LYS 36 - HE3 LYS 26 far 0 71 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 70 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 87 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 98 0 - 9.0-11.0 HG3 LYS 24 - HE2 LYS 19 far 0 93 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 91 0 - 9.4-11.1 QB ALA 92 - HE3 LYS 86 far 0 89 0 - 9.6-11.3 HG3 LYS 24 - HE2 LYS 26 far 0 100 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 71 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 95 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 95 0 - 9.8-14.5 QB ALA 34 - HE3 LYS 24 far 0 72 0 - 9.9-15.9 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 75 assignments used, quality = 1.00: * HG3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-4.0 3.7=100 HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-4.2 3.7=100 HG3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.0-3.4 3.6=100 HG3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.3-3.8 3.6=100 HG2 LYS 36 + HE3 LYS 36 OK 94 94 100 100 3.1-4.2 4.0=100 HG2 LYS 24 + HE3 LYS 24 OK 93 93 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 87 87 100 100 3.1-4.1 4.0=100 HG2 LYS 24 + HE2 LYS 24 OK 80 80 100 100 2.1-4.1 4.0=100 HG2 LYS 19 + HE3 LYS 19 OK 67 67 100 100 2.1-4.1 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 59 59 100 100 2.8-3.7 3.8=100 QB ALA 15 - HE3 LYS 19 far 15 98 15 - 4.1-12.5 QB ALA 15 - HE2 LYS 19 far 14 91 15 - 3.9-11.9 QB ALA 29 - HE2 LYS 26 far 10 97 10 - 3.3-7.6 QB ALA 29 - HE3 LYS 26 far 10 97 10 - 4.1-8.3 QB ALA 34 - HE3 LYS 26 far 6 63 10 - 4.0-7.8 QB ALA 16 - HE2 LYS 31 far 5 92 5 - 3.9-25.9 HG2 LYS 19 - HE3 LYS 31 far 3 68 5 - 4.6-26.0 QB ALA 34 - HE2 LYS 26 lone 1 63 40 5 3.1-7.1 908/10766=5 QB ALA 16 - HE2 LYS 19 lone 1 84 40 3 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 1 92 35 3 2.7-9.0 QB ALA 16 - HE3 LYS 31 far 0 93 0 - 5.2-26.1 QB ALA 15 - HE3 LYS 86 far 0 93 0 - 5.8-32.2 QB ALA 28 - HE2 LYS 26 far 0 99 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 67 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 99 0 - 6.1-9.5 HG3 LYS 31 - HE3 LYS 36 far 0 98 0 - 6.3-11.5 HG2 LYS 19 - HE3 LYS 24 far 0 64 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 92 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 61 0 - 6.8-34.9 QB ALA 29 - HE3 LYS 36 far 0 94 0 - 6.9-10.3 QB ALA 29 - HE2 LYS 36 far 0 87 0 - 7.1-9.7 QB ALA 34 - HE2 LYS 19 far 0 54 0 - 7.3-24.1 HG2 LYS 36 - HE2 LYS 26 far 0 97 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 97 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 99 0 - 7.5-22.4 QB ALA 34 - HE2 LYS 31 far 0 62 0 - 7.5-11.5 QB ALA 34 - HE3 LYS 36 far 0 59 0 - 7.6-8.5 QB ALA 29 - HE3 LYS 31 far 0 97 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-28.1 QB ALA 28 - HE2 LYS 31 far 0 98 0 - 7.8-11.0 QB ALA 34 - HE2 LYS 36 far 0 52 0 - 7.9-8.4 QB ALA 28 - HE3 LYS 24 far 0 96 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 53 0 - 8.0-15.1 QB ALA 34 - HE3 LYS 31 far 0 63 0 - 8.0-12.3 QB ALA 28 - HE3 LYS 31 far 0 99 0 - 8.0-11.2 HG3 LYS 31 - HE2 LYS 24 far 0 87 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 97 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 99 0 - 8.3-23.7 QB ALA 34 - HE3 LYS 19 far 0 62 0 - 8.5-24.4 HG3 LYS 26 - HE3 LYS 31 far 0 98 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 94 0 - 8.6-26.5 QB ALA 34 - HE3 LYS 86 far 0 56 0 - 8.7-11.0 HG2 LYS 24 - HE3 LYS 26 far 0 97 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 68 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 84 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 97 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 68 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 90 0 - 9.1-20.4 QB ALA 16 - HE2 LYS 24 far 0 76 0 - 9.1-18.0 QB ALA 15 - HE2 LYS 31 far 0 98 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 96 0 - 9.3-15.5 QB ALA 16 - HE3 LYS 86 far 0 86 0 - 9.6-34.1 HG2 LYS 36 - HE2 LYS 31 far 0 97 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 96 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 88 0 - 9.7-15.4 HG3 LYS 26 - HE3 LYS 19 far 0 97 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 95 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 98 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 97 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 96 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 83 0 - 9.9-12.6 QB ALA 34 - HE3 LYS 24 far 0 59 0 - 9.9-15.9 HG2 LYS 24 - HE3 LYS 31 far 0 97 0 - 10.0-22.2 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 74 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 + HE2 LYS 26 OK 100 100 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 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 2.3-3.0 3.0=100 HD3 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 2.3-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 95 95 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 95 95 100 100 2.8-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 95 95 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 95 95 100 100 2.5-3.0 3.0=100 HD2 LYS 19 + HE3 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 2.2-3.0 2.9=100 HD3 LYS 36 + HE2 LYS 36 OK 88 88 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 88 88 100 100 2.4-3.0 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 HD2 LYS 19 + HE2 LYS 19 OK 87 87 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 87 87 100 100 2.3-3.0 2.9=100 HD3 LYS 86 - HE3 LYS 19 far 0 100 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 100 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 94 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 98 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 94 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 96 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 97 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 96 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 95 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 66 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 92 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 98 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 96 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 92 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 98 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 95 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 98 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 89 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 66 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 92 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 98 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 89 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 92 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 98 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 72 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 79 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 64 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 91 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 96 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 96 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 79 0 - 9.9-17.4 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 74 assignments used, quality = 1.00: HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 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 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 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 2.3-3.0 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 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 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 2.2-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.8-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.5-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.3-3.0 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 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.4-3.0 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 100 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 100 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 94 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 97 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 94 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 97 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 97 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 68 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 92 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 96 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 92 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 97 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 97 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 90 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 68 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 93 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 90 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 93 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 98 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 97 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 75 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 80 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 66 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 80 0 - 9.9-17.4 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 2 assignments used, quality = 1.00: * H ILE 32 + HA ILE 32 OK 100 100 100 100 2.7-2.9 3.0=100 H LEU 22 - HA ILE 32 far 0 99 0 - 9.8-18.4 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): 1 out of 7 assignments used, quality = 1.00: * HB ILE 32 + HA ILE 32 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LYS 26 - HA ILE 32 far 5 100 5 - 3.5-7.3 HB3 LYS 31 - HA ILE 32 far 0 99 0 - 5.7-5.9 HB2 LYS 36 - HA ILE 32 far 0 100 0 - 6.1-8.1 HB3 ARG 23 - HA ILE 32 far 0 100 0 - 6.5-15.8 HB3 LYS 24 - HA ILE 32 far 0 100 0 - 8.7-15.9 HB3 LYS 19 - HA ILE 32 far 0 99 0 - 10.0-22.3 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 2 assignments used, quality = 1.00: * QG2 ILE 32 + HA ILE 32 OK 100 100 100 100 2.3-2.7 904=100, 6362/6360=53...(33) QD2 LEU 22 - HA ILE 32 far 0 95 0 - 7.5-17.9 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 2 assignments used, quality = 1.00: * HG12 ILE 32 + HA ILE 32 OK 100 100 100 100 2.2-2.5 912=100, 1.8/892=66...(26) QG2 THR 25 - HA ILE 32 far 0 71 0 - 6.1-10.7 Violated in 0 structures by 0.00 A. Peak 892 from cnoeabs.peaks (1.44, 4.11, 61.16 ppm; 3.51 A): 1 out of 6 assignments used, quality = 1.00: * HG13 ILE 32 + HA ILE 32 OK 100 100 100 100 2.9-3.4 920=98, 1.8/891=79...(26) HG2 LYS 26 - HA ILE 32 far 5 99 5 - 3.9-8.3 QB ALA 34 - HA ILE 32 far 0 83 0 - 4.8-5.2 HG2 LYS 31 - HA ILE 32 far 0 100 0 - 4.9-6.2 HG3 LYS 36 - HA ILE 32 far 0 63 0 - 8.7-9.2 HG3 LYS 24 - HA ILE 32 far 0 99 0 - 8.7-16.9 Violated in 0 structures by 0.00 A. Peak 893 from cnoeabs.peaks (0.78, 4.11, 61.16 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 32 + HA ILE 32 OK 100 100 100 100 3.5-3.7 928=95, 2.1/891=78...(27) QD1 ILE 37 - HA ILE 32 far 0 100 0 - 6.5-7.3 Violated in 4 structures by 0.01 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 2.3-2.4 6360=100, 6361/3.0=37...(17) H LYS 31 - HA ILE 32 far 0 100 0 - 4.3-4.9 H ALA 29 - HA ILE 32 far 0 90 0 - 5.2-7.4 H ARG 23 - HA ILE 32 far 0 95 0 - 6.8-16.5 Violated in 0 structures by 0.00 A. Peak 895 from cnoeabs.peaks (8.14, 1.82, 38.56 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 32 + HB ILE 32 OK 100 100 100 100 2.3-2.6 6352=100, 6351/3.0=50...(28) Violated in 0 structures by 0.00 A. Peak 896 from cnoeabs.peaks (4.11, 1.82, 38.56 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 32 + HB ILE 32 OK 100 100 100 100 3.0-3.0 3.0=100 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 2 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 22 - HB ILE 32 far 0 95 0 - 7.9-18.9 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 2 assignments used, quality = 1.00: * HG12 ILE 32 + HB ILE 32 OK 100 100 100 100 3.0-3.0 2.9=100 QG2 THR 25 - HB ILE 32 far 0 71 0 - 7.0-9.8 Violated in 0 structures by 0.00 A. Peak 900 from cnoeabs.peaks (1.44, 1.82, 38.56 ppm; 3.32 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 32 + HB ILE 32 OK 100 100 100 100 2.3-2.4 2.9=100 QB ALA 34 - HB ILE 32 far 0 83 0 - 4.9-6.2 HG2 LYS 26 - HB ILE 32 far 0 99 0 - 5.1-7.5 HG2 LYS 31 - HB ILE 32 far 0 100 0 - 6.8-8.1 HG3 LYS 36 - HB ILE 32 far 0 63 0 - 7.4-8.7 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 2 assignments used, quality = 1.00: * QD1 ILE 32 + HB ILE 32 OK 100 100 100 100 2.5-2.7 3.2=100 QD1 ILE 37 - HB ILE 32 far 0 100 0 - 7.0-7.9 Violated in 0 structures by 0.00 A. Peak 902 from cnoeabs.peaks (8.23, 1.82, 38.56 ppm; 3.94 A increased from 3.50 A): 2 out of 4 assignments used, quality = 1.00: * H SER 33 + HB ILE 32 OK 100 100 100 100 3.5-4.0 6361=100, 6362/2.1=87...(19) H ALA 29 + HB ILE 32 OK 59 90 65 100 3.7-5.4 2.9/10734=71...(31) H LYS 31 - HB ILE 32 far 0 100 0 - 4.8-5.1 H ARG 23 - HB ILE 32 far 0 95 0 - 9.2-18.1 Violated in 0 structures by 0.00 A. Peak 903 from cnoeabs.peaks (8.14, 0.85, 17.13 ppm; 3.90 A increased from 3.47 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 32 + QG2 ILE 32 OK 100 100 100 100 3.7-3.8 6353=100, 6352/2.1=92...(22) Violated in 0 structures by 0.00 A. Peak 904 from cnoeabs.peaks (4.11, 0.85, 17.13 ppm; 2.96 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 32 + QG2 ILE 32 OK 100 100 100 100 2.3-2.7 890=96, 6360/6362=50...(33) HA CYS 79 - QG2 ILE 32 far 0 100 0 - 7.4-10.5 Violated in 0 structures by 0.00 A. Peak 905 from cnoeabs.peaks (1.82, 0.85, 17.13 ppm; 2.54 A): 1 out of 8 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 far 0 100 0 - 3.6-6.0 HB3 LYS 26 - QG2 ILE 32 far 0 100 0 - 3.7-6.6 HB3 ARG 23 - QG2 ILE 32 far 0 100 0 - 6.7-13.3 HB3 LYS 31 - QG2 ILE 32 far 0 99 0 - 6.8-7.1 HB3 LYS 24 - QG2 ILE 32 far 0 100 0 - 7.2-12.3 HB2 CYS 79 - QG2 ILE 32 far 0 81 0 - 7.5-9.7 HB3 LYS 19 - QG2 ILE 32 far 0 99 0 - 9.5-19.8 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 5 assignments used, quality = 1.00: * HG12 ILE 32 + QG2 ILE 32 OK 100 100 100 100 2.5-2.7 3.2=69, 2.1/930=63...(27) QG2 THR 25 - QG2 ILE 32 far 0 71 0 - 5.5-8.2 QG2 THR 18 - QG2 ILE 32 far 0 98 0 - 8.3-18.2 QB ALA 41 - QG2 ILE 32 far 0 99 0 - 8.3-8.8 QG2 VAL 77 - QG2 ILE 32 far 0 85 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 908 from cnoeabs.peaks (1.44, 0.85, 17.13 ppm; 3.33 A increased from 2.96 A): 2 out of 7 assignments used, quality = 1.00: * HG13 ILE 32 + QG2 ILE 32 OK 100 100 100 100 3.1-3.2 3.2=100 QB ALA 34 + QG2 ILE 32 OK 75 83 100 91 2.6-3.5 6364/6362=44...(10) HG2 LYS 26 - QG2 ILE 32 far 15 99 15 - 3.4-6.4 HG3 LYS 36 - QG2 ILE 32 far 0 63 0 - 6.1-7.2 HG2 LYS 31 - QG2 ILE 32 far 0 100 0 - 6.4-7.6 HG3 LYS 24 - QG2 ILE 32 far 0 99 0 - 8.7-13.8 HG3 LYS 19 - QG2 ILE 32 far 0 100 0 - 8.8-20.5 Violated in 0 structures by 0.00 A. Peak 909 from cnoeabs.peaks (0.78, 0.85, 17.13 ppm; 2.92 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 32 + QG2 ILE 32 OK 100 100 100 100 1.8-1.8 930=100, 2.1/907=63...(35) QD1 ILE 37 - QG2 ILE 32 far 0 100 0 - 4.8-5.7 Violated in 0 structures by 0.00 A. Peak 910 from cnoeabs.peaks (8.23, 0.85, 17.13 ppm; 3.27 A): 1 out of 4 assignments used, quality = 1.00: * H SER 33 + QG2 ILE 32 OK 100 100 100 100 1.8-1.9 6362=100, 6361/2.1=71...(21) H ALA 29 - QG2 ILE 32 far 0 90 0 - 4.1-5.7 H LYS 31 - QG2 ILE 32 far 0 100 0 - 5.4-5.8 H ARG 23 - QG2 ILE 32 far 0 95 0 - 8.0-14.4 Violated in 0 structures by 0.00 A. Peak 911 from cnoeabs.peaks (8.14, 1.16, 27.21 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 32 + HG12 ILE 32 OK 100 100 100 100 2.9-3.6 6354=100, 6345/1.8=74...(28) 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 1 assignment used, quality = 1.00: * HA ILE 32 + HG12 ILE 32 OK 100 100 100 100 2.2-2.5 891=100, 892/1.8=66...(26) Violated in 0 structures by 0.00 A. Peak 913 from cnoeabs.peaks (1.82, 1.16, 27.21 ppm; 3.34 A): 2 out of 7 assignments used, quality = 1.00: * HB ILE 32 + HG12 ILE 32 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 LYS 26 + HG12 ILE 32 OK 45 100 55 82 2.8-5.5 3.5/10767=27, 929/2.1=20...(16) HB3 LYS 31 - HG12 ILE 32 far 0 99 0 - 5.7-7.4 HB2 LYS 36 - HG12 ILE 32 far 0 100 0 - 7.4-9.7 HB3 ARG 23 - HG12 ILE 32 far 0 100 0 - 8.1-15.0 HB3 LYS 24 - HG12 ILE 32 far 0 100 0 - 8.6-14.3 HB3 LYS 19 - HG12 ILE 32 far 0 99 0 - 9.7-21.0 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 2 assignments used, quality = 1.00: * QG2 ILE 32 + HG12 ILE 32 OK 100 100 100 100 2.5-2.7 3.2=100 QD2 LEU 22 - HG12 ILE 32 far 0 95 0 - 6.6-16.8 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 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 0 99 0 - 3.3-7.1 QB ALA 34 - HG12 ILE 32 far 0 83 0 - 4.6-6.3 HG2 LYS 31 - HG12 ILE 32 far 0 100 0 - 6.2-8.2 HG3 LYS 19 - HG12 ILE 32 far 0 100 0 - 9.2-22.0 HG3 LYS 24 - HG12 ILE 32 far 0 99 0 - 9.3-15.3 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 2 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 0 100 0 - 7.7-9.1 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 4 assignments used, quality = 1.00: * H SER 33 + HG12 ILE 32 OK 100 100 100 100 3.4-4.3 6363=100, 6360/891=89...(16) H LYS 31 + HG12 ILE 32 OK 91 100 95 96 4.0-5.2 6333/1.8=57, 4.7/6354=55...(11) H ALA 29 + HG12 ILE 32 OK 63 90 70 100 3.3-5.7 2.9/10738=66, ~11488=48...(32) H ARG 23 - HG12 ILE 32 far 0 95 0 - 7.7-15.3 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 1 assignment used, quality = 1.00: * H ILE 32 + HG13 ILE 32 OK 100 100 100 100 2.2-2.7 6355=100, 6354/1.8=71...(25) Violated in 0 structures by 0.00 A. Peak 920 from cnoeabs.peaks (4.11, 1.44, 27.21 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 32 + HG13 ILE 32 OK 100 100 100 100 2.9-3.4 892=100, 891/1.8=80...(27) Violated in 0 structures by 0.00 A. Peak 921 from cnoeabs.peaks (1.82, 1.44, 27.21 ppm; 3.16 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 32 + HG13 ILE 32 OK 100 100 100 100 2.3-2.4 2.9=100 HB3 LYS 26 - HG13 ILE 32 poor 18 100 25 73 3.2-5.7 913/1.8=20, 929/2.1=18...(19) HB3 LYS 31 - HG13 ILE 32 far 0 99 0 - 5.5-6.8 HB2 LYS 36 - HG13 ILE 32 far 0 100 0 - 7.2-9.3 HB3 ARG 23 - HG13 ILE 32 far 0 100 0 - 9.1-15.3 HB3 LYS 24 - HG13 ILE 32 far 0 100 0 - 10.0-14.3 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 2 assignments used, quality = 1.00: * QG2 ILE 32 + HG13 ILE 32 OK 100 100 100 100 3.1-3.2 3.2=100 QD2 LEU 22 - HG13 ILE 32 far 0 95 0 - 6.5-17.7 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 3 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 0 71 0 - 6.4-8.8 QG2 THR 18 - HG13 ILE 32 far 0 98 0 - 9.4-21.1 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 2 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 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 926 from cnoeabs.peaks (8.23, 1.44, 27.21 ppm; 4.18 A): 2 out of 4 assignments used, quality = 1.00: H LYS 31 + HG13 ILE 32 OK 99 100 100 99 3.2-4.3 6333=66, 4.7/6355=50...(13) H ALA 29 + HG13 ILE 32 OK 90 90 100 100 2.0-4.1 ~11488=44, ~10739=44...(31) ! H SER 33 - HG13 ILE 32 far 5 100 5 - 4.6-5.1 H ARG 23 - HG13 ILE 32 far 0 95 0 - 8.3-16.6 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 2 assignments used, quality = 1.00: * H ILE 32 + QD1 ILE 32 OK 100 100 100 100 3.8-4.0 6356=93, 6345/2.1=87...(26) H LEU 22 - QD1 ILE 32 far 0 99 0 - 8.0-15.4 Violated in 1 structures by 0.00 A. Peak 928 from cnoeabs.peaks (4.11, 0.78, 12.54 ppm; 3.86 A increased from 3.64 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 32 + QD1 ILE 32 OK 100 100 100 100 3.5-3.7 893=100, 891/2.1=83...(27) HA CYS 79 - QD1 ILE 32 far 0 100 0 - 8.5-12.0 Violated in 0 structures by 0.00 A. Peak 929 from cnoeabs.peaks (1.82, 0.78, 12.54 ppm; 3.11 A): 2 out of 8 assignments used, quality = 1.00: * HB ILE 32 + QD1 ILE 32 OK 100 100 100 100 2.5-2.7 3.2=89, 2.1/930=73...(30) HB3 LYS 26 + QD1 ILE 32 OK 39 100 50 78 1.7-5.8 3.0/10704=18, 913/2.1=18...(19) HB2 LYS 36 - QD1 ILE 32 far 0 100 0 - 6.0-8.1 HB3 ARG 23 - QD1 ILE 32 far 0 100 0 - 6.3-13.5 HB3 LYS 31 - QD1 ILE 32 far 0 99 0 - 6.4-7.6 HB3 LYS 24 - QD1 ILE 32 far 0 100 0 - 6.9-11.2 HB3 LYS 19 - QD1 ILE 32 far 0 99 0 - 8.5-19.0 HB2 CYS 79 - QD1 ILE 32 far 0 81 0 - 9.1-11.4 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 2 assignments used, quality = 1.00: * QG2 ILE 32 + QD1 ILE 32 OK 100 100 100 100 1.8-1.8 909=78, 907/2.1=54...(30) QD2 LEU 22 - QD1 ILE 32 far 0 95 0 - 4.3-13.7 Violated in 0 structures by 0.00 A. Peak 931 from cnoeabs.peaks (1.16, 0.78, 12.54 ppm; 2.84 A): 1 out of 3 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 0 71 0 - 4.1-6.8 QG2 THR 18 - QD1 ILE 32 far 0 98 0 - 6.6-17.6 Violated in 0 structures by 0.00 A. Peak 932 from cnoeabs.peaks (1.44, 0.78, 12.54 ppm; 2.82 A): 2 out of 7 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 OK 28 99 35 79 2.3-6.3 1.8/10704=18, ~10767=13...(34) QB ALA 34 - QD1 ILE 32 far 0 83 0 - 3.8-5.1 HG2 LYS 31 - QD1 ILE 32 far 0 100 0 - 7.2-8.5 HG3 LYS 19 - QD1 ILE 32 far 0 100 0 - 7.9-19.9 HG3 LYS 36 - QD1 ILE 32 far 0 63 0 - 8.3-9.6 HG3 LYS 24 - QD1 ILE 32 far 0 99 0 - 8.5-13.1 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): 2 out of 4 assignments used, quality = 1.00: * H SER 33 + QD1 ILE 32 OK 100 100 100 100 4.0-4.4 6362/930=82, 6361/3.2=76...(18) H ALA 29 + QD1 ILE 32 OK 90 90 100 100 1.9-3.8 2.9/10739=76...(26) H LYS 31 - QD1 ILE 32 far 5 100 5 - 4.6-5.6 H ARG 23 - QD1 ILE 32 far 0 95 0 - 8.4-14.2 Violated in 0 structures by 0.00 A. Peak 935 from cnoeabs.peaks (8.23, 4.40, 58.29 ppm; 3.38 A): 2 out of 7 assignments used, quality = 1.00: * H SER 33 + HA SER 33 OK 100 100 100 100 2.9-2.9 3.0=100 H SER 107 + HA SER 107 OK 89 89 100 100 2.6-2.8 3.0=100 H LYS 31 - HA SER 33 far 0 100 0 - 7.7-8.0 H ALA 29 - HA SER 33 far 0 90 0 - 8.2-10.0 H LYS 31 - HA SER 9 far 0 100 0 - 8.7-42.6 H ARG 23 - HA SER 9 far 0 94 0 - 9.3-34.9 H ARG 23 - HA SER 33 far 0 95 0 - 9.8-20.1 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 8 assignments used, quality = 1.00: * HB2 SER 33 + HA SER 33 OK 100 100 100 100 2.4-2.9 3.0=100 HB2 SER 107 + HA SER 107 OK 83 83 100 100 2.4-3.0 3.0=100 HB2 SER 60 - HA SER 107 far 0 89 0 - 5.5-10.7 HB2 SER 94 - HA SER 9 far 0 97 0 - 6.1-43.0 HB3 SER 60 - HA SER 107 far 0 89 0 - 6.2-10.9 HA3 GLY 75 - HA SER 33 far 0 99 0 - 6.8-8.0 HA2 GLY 111 - HA SER 107 far 0 68 0 - 7.1-10.6 HA2 GLY 114 - HA SER 107 far 0 48 0 - 9.1-11.1 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 3 assignments used, quality = 1.00: * HB3 SER 33 + HA SER 33 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 PRO 117 - HA SER 107 far 0 86 0 - 7.1-9.8 HA LEU 62 - HA SER 107 far 0 88 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 939 from cnoeabs.peaks (8.43, 4.40, 58.29 ppm; 2.66 A): 0 out of 6 assignments used, quality = 0.00: ! H ALA 34 - HA SER 33 far 0 100 0 - 3.4-3.6 H MET 11 - HA SER 9 far 0 84 0 - 4.1-6.5 H ASN 116 - HA SER 107 far 0 77 0 - 5.9-7.6 H ALA 12 - HA SER 9 far 0 94 0 - 8.6-9.8 H VAL 93 - HA SER 9 far 0 100 0 - 9.1-45.0 H ASN 13 - HA SER 9 far 0 99 0 - 9.1-13.1 Violated in 20 structures by 0.80 A. Peak 940 from cnoeabs.peaks (8.23, 3.91, 63.71 ppm; 3.61 A): 2 out of 5 assignments used, quality = 1.00: * H SER 33 + HB2 SER 33 OK 100 100 100 100 2.7-3.4 6367=100, 6368/1.8=77...(12) H SER 107 + HB2 SER 107 OK 79 87 100 90 2.1-3.7 4.1=70, 7552/7556=37...(7) H LYS 31 - HB2 SER 33 far 0 100 0 - 7.2-8.0 H ARG 23 - HB2 SER 33 far 0 95 0 - 7.7-19.3 H ALA 29 - HB2 SER 33 far 0 90 0 - 8.8-10.9 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 7 assignments used, quality = 1.00: * HA SER 33 + HB2 SER 33 OK 100 100 100 100 2.4-2.9 3.0=100 HA SER 107 + HB2 SER 107 OK 83 83 100 100 2.4-3.0 3.0=100 HA ASP 71 - HB2 SER 33 far 0 85 0 - 6.8-8.2 HA VAL 112 - HB2 SER 107 far 0 56 0 - 8.5-11.5 HA THR 115 - HB2 SER 107 far 0 87 0 - 9.5-12.2 HA MET 11 - HB2 SER 33 far 0 68 0 - 9.5-38.6 HA PRO 113 - HB2 SER 107 far 0 56 0 - 9.8-13.2 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 HA LEU 62 - HB2 SER 107 far 0 86 0 - 7.8-10.0 HD2 PRO 117 - HB2 SER 107 far 0 84 0 - 8.6-12.2 Violated in 0 structures by 0.00 A. Peak 944 from cnoeabs.peaks (8.43, 3.91, 63.71 ppm; 3.71 A increased from 3.49 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 34 + HB2 SER 33 OK 100 100 100 100 3.4-4.1 6373=100, 949/1.8=80...(12) H ASN 116 - HB2 SER 107 far 0 75 0 - 7.0-9.6 H ALA 12 - HB2 SER 33 far 0 95 0 - 8.8-37.4 H ASN 13 - HB2 SER 33 far 0 100 0 - 9.5-37.5 H SER 74 - HB2 SER 33 far 0 71 0 - 9.6-10.9 Violated in 2 structures by 0.03 A. Peak 945 from cnoeabs.peaks (8.23, 3.85, 63.71 ppm; 3.64 A increased from 3.24 A): 1 out of 4 assignments used, quality = 1.00: * H SER 33 + HB3 SER 33 OK 100 100 100 100 3.2-3.9 6368=100, 6367/1.8=85...(11) H LYS 31 - HB3 SER 33 far 0 100 0 - 8.8-9.5 H ARG 23 - HB3 SER 33 far 0 95 0 - 9.2-20.5 H ALA 29 - HB3 SER 33 far 0 90 0 - 9.9-11.9 Violated in 2 structures by 0.02 A. Peak 946 from cnoeabs.peaks (4.40, 3.85, 63.71 ppm; 2.96 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 33 + HB3 SER 33 OK 100 100 100 100 2.5-3.0 3.0=93, 937/1.8=43...(15) HA ASP 71 - HB3 SER 33 far 0 85 0 - 5.8-7.6 HA CYS 73 - HB3 SER 33 far 0 96 0 - 9.6-10.6 Violated in 1 structures by 0.00 A. Peak 947 from cnoeabs.peaks (3.91, 3.85, 63.71 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 33 + HB3 SER 33 OK 100 100 100 100 1.8-1.8 1.8=100 HA3 GLY 75 - HB3 SER 33 far 0 99 0 - 4.4-5.6 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 4 assignments used, quality = 1.00: * H ALA 34 + HB3 SER 33 OK 100 100 100 100 2.7-3.7 6373/1.8=69, 6374=62...(14) H SER 74 - HB3 SER 33 far 0 71 0 - 8.2-9.8 H ALA 12 - HB3 SER 33 far 0 95 0 - 9.6-37.4 H ASN 13 - HB3 SER 33 far 0 100 0 - 10.0-37.3 Violated in 1 structures by 0.01 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 2.7-2.8 3.0=100 H SER 74 - HA ALA 34 far 0 71 0 - 7.7-9.5 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 5 assignments used, quality = 1.00: * QB ALA 34 + HA ALA 34 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 LYS 26 - HA ALA 34 far 0 93 0 - 6.8-11.3 HG13 ILE 32 - HA ALA 34 far 0 83 0 - 8.5-9.3 HG2 LYS 31 - HA ALA 34 far 0 76 0 - 9.9-12.1 HG3 LYS 31 - HA ALA 34 far 0 63 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 953 from cnoeabs.peaks (8.38, 4.22, 53.50 ppm; 3.73 A increased from 3.51 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 35 + HA ALA 34 OK 100 100 100 100 3.5-3.6 3.6=100 H SER 74 - HA ALA 34 far 0 81 0 - 7.7-9.5 H LYS 26 - HA ALA 34 far 0 90 0 - 8.3-12.8 Violated in 0 structures by 0.00 A. Peak 954 from cnoeabs.peaks (8.43, 1.42, 18.75 ppm; 2.74 A): 1 out of 7 assignments used, quality = 1.00: * H ALA 34 + QB ALA 34 OK 100 100 100 100 2.0-2.2 6376=100, 6369/6364=22...(10) H ASN 13 - QB ALA 16 far 0 53 0 - 6.7-11.6 H SER 74 - QB ALA 34 far 0 71 0 - 6.7-9.1 H SER 74 - QB ALA 16 far 0 31 0 - 6.9-33.3 H ALA 12 - QB ALA 16 far 0 47 0 - 7.5-14.3 H MET 11 - QB ALA 16 far 0 40 0 - 9.4-16.5 H ALA 12 - QB ALA 34 far 0 95 0 - 9.5-29.9 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 9 assignments used, quality = 1.00: * HA ALA 34 + QB ALA 34 OK 100 100 100 100 2.1-2.1 2.1=100 HA GLN 27 - QB ALA 34 far 0 85 0 - 5.4-11.0 HB THR 25 - QB ALA 34 far 0 76 0 - 6.1-11.5 HA ALA 29 - QB ALA 34 far 0 100 0 - 6.2-7.6 HA SER 94 - QB ALA 16 far 0 51 0 - 6.6-36.7 HB3 SER 38 - QB ALA 34 far 0 100 0 - 7.9-9.8 HA ALA 28 - QB ALA 34 far 0 95 0 - 8.2-11.4 HA HIS 67 - QB ALA 16 far 0 52 0 - 9.5-36.1 HA GLU 30 - QB ALA 34 far 0 100 0 - 9.6-10.8 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 11 assignments used, quality = 1.00: * H ASP 35 + QB ALA 34 OK 100 100 100 100 2.3-2.5 6381=100, 3.0/10801=48...(7) H HIS 3 - QB ALA 16 far 0 52 0 - 4.7-38.9 H GLY 14 - QB ALA 16 far 0 38 0 - 5.6-8.1 H LYS 26 - QB ALA 34 far 0 90 0 - 5.9-9.3 H SER 74 - QB ALA 34 far 0 81 0 - 6.7-9.1 H SER 74 - QB ALA 16 far 0 37 0 - 6.9-33.3 H GLN 27 - QB ALA 34 far 0 100 0 - 7.3-9.3 H LYS 24 - QB ALA 34 far 0 89 0 - 7.4-13.7 H MET 11 - QB ALA 16 far 0 29 0 - 9.4-16.5 H GLY 14 - QB ALA 34 far 0 83 0 - 9.6-26.4 H LYS 24 - QB ALA 16 far 0 42 0 - 9.9-14.8 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 2.8-2.8 3.0=100 H LYS 26 - HA ASP 35 far 0 90 0 - 7.4-13.8 H LYS 24 - HA ASP 35 far 0 89 0 - 8.5-18.3 H GLN 27 - HA ASP 35 far 0 100 0 - 8.6-13.0 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 2.4-2.9 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 3 assignments used, quality = 1.00: * HB3 ASP 35 + HA ASP 35 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 TYR 76 - HA ASP 35 far 0 98 0 - 8.5-10.8 HB3 ASP 78 - HA ASP 35 far 0 96 0 - 8.5-11.4 Violated in 0 structures by 0.00 A. Peak 962 from cnoeabs.peaks (8.00, 4.52, 54.77 ppm; 3.50 A increased from 3.30 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 36 + HA ASP 35 OK 100 100 100 100 3.3-3.4 6388=100, 6385/3.0=63...(13) H ILE 37 - HA ASP 35 far 3 60 5 - 4.0-4.7 H SER 38 - HA ASP 35 far 0 93 0 - 7.5-8.0 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 4 assignments used, quality = 1.00: * H ASP 35 + HB2 ASP 35 OK 100 100 100 100 2.6-3.2 6383=100, 6385/6389=55...(5) H LYS 26 - HB2 ASP 35 far 0 90 0 - 6.0-12.6 H GLN 27 - HB2 ASP 35 far 0 100 0 - 6.5-12.1 H LYS 24 - HB2 ASP 35 far 0 89 0 - 9.4-18.3 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 2 assignments used, quality = 1.00: * HA ASP 35 + HB2 ASP 35 OK 100 100 100 100 2.4-2.9 3.0=100 HA SER 38 - HB2 ASP 35 far 0 89 0 - 9.1-9.4 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 1 assignment used, quality = 1.00: * HB3 ASP 35 + HB2 ASP 35 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 967 from cnoeabs.peaks (8.00, 2.67, 40.19 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 36 + HB2 ASP 35 OK 100 100 100 100 3.5-4.3 6389=100, 6390/1.8=77...(5) H ILE 37 - HB2 ASP 35 far 0 60 0 - 5.4-5.8 H SER 38 - HB2 ASP 35 far 0 93 0 - 9.4-9.8 Violated in 1 structures by 0.01 A. Peak 968 from cnoeabs.peaks (8.38, 2.75, 40.19 ppm; 3.91 A): 2 out of 10 assignments used, quality = 1.00: * H ASP 35 + HB3 ASP 35 OK 100 100 100 100 2.1-2.5 6383/1.8=91, 4.0=90...(7) H THR 65 + HB2 ASP 64 OK 62 64 100 97 2.6-4.1 6840/1.8=69, 4.6=62...(9) H LYS 26 - HB3 ASP 35 far 0 90 0 - 4.9-11.4 H GLN 27 - HB3 ASP 35 far 0 100 0 - 6.3-10.7 H SER 74 - HB3 ASP 78 far 0 39 0 - 7.7-8.8 H LYS 26 - HB3 ASP 78 far 0 45 0 - 8.2-15.6 H LYS 24 - HB3 ASP 35 far 0 89 0 - 8.2-16.9 H LYS 24 - HB3 ASP 78 far 0 44 0 - 8.3-18.6 H ASP 35 - HB3 ASP 78 far 0 56 0 - 8.3-11.2 H GLY 14 - HB3 ASP 78 far 0 40 0 - 9.5-33.3 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 4 assignments used, quality = 1.00: * HA ASP 35 + HB3 ASP 35 OK 100 100 100 100 2.7-3.0 3.0=100 HA ASP 35 - HB3 ASP 78 far 0 56 0 - 8.5-11.4 HA TYR 72 - HB3 ASP 78 far 0 28 0 - 9.0-10.1 HA SER 38 - HB3 ASP 35 far 0 89 0 - 9.4-9.9 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 1 assignment used, quality = 1.00: * HB2 ASP 35 + HB3 ASP 35 OK 100 100 100 100 1.8-1.8 1.8=100 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): 1 out of 6 assignments used, quality = 1.00: * H LYS 36 + HB3 ASP 35 OK 100 100 100 100 3.3-3.9 6390=100, 6389/1.8=89...(6) H ILE 37 - HB3 ASP 35 far 0 60 0 - 5.3-5.9 H THR 18 - HB3 ASP 78 far 0 36 0 - 8.7-30.9 H SER 38 - HB3 ASP 35 far 0 93 0 - 9.4-10.1 H ILE 37 - HB3 ASP 78 far 0 27 0 - 9.8-11.7 H LYS 36 - HB3 ASP 78 far 0 56 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 973 from cnoeabs.peaks (8.00, 4.27, 56.84 ppm; 3.35 A): 2 out of 6 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 94 3.4-3.5 3.6=82, 6404/3.0=21...(10) H THR 18 - HA LYS 19 far 0 46 0 - 4.5-5.4 H SER 38 - HA LYS 36 far 0 93 0 - 6.1-6.5 H LYS 36 - HA LYS 26 far 0 83 0 - 8.9-13.9 H LYS 36 - HA LYS 31 far 0 58 0 - 9.1-9.8 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 22 assignments used, quality = 1.00: * HB2 LYS 36 + HA LYS 36 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 LYS 26 + HA LYS 26 OK 82 82 100 100 2.3-3.0 3.0=100 HB3 LYS 19 + HA LYS 19 OK 69 69 100 100 2.5-2.7 3.0=100 HB3 LYS 31 + HA LYS 31 OK 57 57 100 100 2.5-2.6 3.0=100 HB3 LYS 31 - HA LYS 26 far 0 81 0 - 4.5-12.4 HB3 LYS 26 - HA LYS 31 far 0 58 0 - 4.5-10.2 HB ILE 32 - HA LYS 26 far 0 83 0 - 4.8-10.0 HB ILE 32 - HA LYS 31 far 0 58 0 - 4.8-5.6 HB3 ARG 23 - HA LYS 26 far 0 81 0 - 5.4-10.0 HB3 LYS 24 - HA LYS 19 far 0 70 0 - 5.5-13.9 HB3 LYS 19 - HA LYS 31 far 0 57 0 - 5.6-24.7 HB3 LYS 31 - HA LYS 19 far 0 69 0 - 5.7-24.3 HB3 ARG 23 - HA LYS 19 far 0 69 0 - 5.8-10.6 HB ILE 32 - HA LYS 36 far 0 100 0 - 6.4-7.7 HB3 LYS 24 - HA LYS 26 far 0 82 0 - 6.7-8.2 HB3 ARG 23 - HA LYS 31 far 0 56 0 - 7.2-20.2 HB2 CYS 79 - HA LYS 36 far 0 78 0 - 7.7-10.1 HB3 LYS 19 - HA LYS 26 far 0 81 0 - 7.7-15.6 HB2 LYS 36 - HA LYS 31 far 0 58 0 - 7.8-9.5 HB2 CYS 79 - HA LYS 19 far 0 48 0 - 8.0-30.8 HB3 LYS 26 - HA LYS 36 far 0 100 0 - 8.7-14.1 HB2 LYS 36 - HA LYS 26 far 0 83 0 - 9.4-16.2 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 2 assignments used, quality = 1.00: * HB3 LYS 36 + HA LYS 36 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 LYS 36 - HA LYS 31 far 0 58 0 - 8.0-9.7 Violated in 0 structures by 0.00 A. Peak 977 from cnoeabs.peaks (1.38, 4.27, 56.84 ppm; 3.64 A): 4 out of 25 assignments used, quality = 1.00: * HG2 LYS 36 + HA LYS 36 OK 99 100 100 99 3.1-3.3 4.1=69, 6394/3.0=52...(29) HG3 LYS 26 + HA LYS 26 OK 82 83 100 99 2.6-3.7 4.0=73, 6253/2.9=58...(31) HG2 LYS 19 + HA LYS 19 OK 57 58 100 99 3.5-3.6 4.2=67, 6151/3.0=50...(39) HG3 LYS 31 + HA LYS 31 OK 53 54 100 99 2.2-3.7 3.8=88, 1.8/822=29...(21) QB ALA 28 - HA LYS 26 far 12 82 15 - 3.8-7.7 HG2 LYS 24 - HA LYS 19 far 0 70 0 - 4.8-11.2 HG3 LYS 31 - HA LYS 19 far 0 65 0 - 4.8-25.5 QB ALA 29 - HA LYS 36 far 0 100 0 - 5.2-8.8 QB ALA 29 - HA LYS 31 far 0 58 0 - 5.5-6.6 QB ALA 29 - HA LYS 26 far 0 83 0 - 5.6-9.5 QB ALA 16 - HA LYS 19 far 0 44 0 - 6.1-9.7 QB ALA 12 - HA LYS 31 far 0 40 0 - 6.2-33.7 QB ALA 28 - HA LYS 31 far 0 58 0 - 6.6-7.7 HG3 LYS 26 - HA LYS 31 far 0 58 0 - 6.6-12.4 HG3 LYS 31 - HA LYS 26 far 0 77 0 - 6.8-12.7 QB ALA 15 - HA LYS 19 far 0 70 0 - 6.9-12.4 HG2 LYS 19 - HA LYS 31 far 0 47 0 - 6.9-25.0 HG3 LYS 26 - HA LYS 36 far 0 100 0 - 7.8-13.9 QB ALA 16 - HA LYS 31 far 0 36 0 - 7.9-25.4 HG2 LYS 24 - HA LYS 26 far 0 83 0 - 8.0-9.2 QB ALA 28 - HA LYS 19 far 0 70 0 - 8.6-20.2 HG2 LYS 19 - HA LYS 26 far 0 69 0 - 8.9-15.8 QB ALA 12 - HA LYS 19 far 0 50 0 - 9.1-20.2 HG2 LYS 24 - HA LYS 31 far 0 58 0 - 9.5-19.9 HG3 LYS 26 - HA LYS 19 far 0 70 0 - 9.9-17.8 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 14 assignments used, quality = 1.00: * HG3 LYS 36 + HA LYS 36 OK 100 100 100 100 3.4-3.5 4.1=100 HG3 LYS 19 + HA LYS 19 OK 46 46 100 100 4.2-4.2 4.2=100 HG2 LYS 31 + HA LYS 31 OK 34 34 100 100 2.2-3.7 3.8=100 HG13 ILE 32 - HA LYS 26 far 5 45 10 - 3.1-8.1 HG3 LYS 24 - HA LYS 19 far 2 50 5 - 4.3-12.8 HG13 ILE 32 - HA LYS 31 far 0 30 0 - 5.0-5.6 HG3 LYS 19 - HA LYS 31 far 0 37 0 - 6.2-25.0 HG2 LYS 31 - HA LYS 19 far 0 43 0 - 6.3-23.8 HG2 LYS 31 - HA LYS 26 far 0 52 0 - 6.5-13.6 HG3 LYS 19 - HA LYS 26 far 0 56 0 - 7.8-16.3 HG3 LYS 24 - HA LYS 26 far 0 60 0 - 8.4-9.7 HG13 ILE 32 - HA LYS 36 far 0 63 0 - 8.5-10.0 HG3 LYS 36 - HA LYS 31 far 0 58 0 - 9.3-10.6 HG3 LYS 86 - HA LYS 19 far 0 67 0 - 9.7-34.2 Violated in 0 structures by 0.00 A. Peak 979 from cnoeabs.peaks (1.67, 4.27, 56.84 ppm; 4.57 A): 8 out of 28 assignments used, quality = 1.00: * HD2 LYS 36 + HA LYS 36 OK 100 100 100 100 4.6-4.6 5.3=65, 1031/3.0=41...(29) HD3 LYS 36 + HA LYS 36 OK 85 100 85 100 4.9-5.2 5.3=65, 1042/3.0=41...(30) HD2 LYS 26 + HA LYS 26 OK 77 77 100 100 2.0-5.1 5.0=78, ~6253=40...(34) HD3 LYS 26 + HA LYS 26 OK 60 75 80 100 2.0-5.3 5.0=78, ~6253=40...(34) HD2 LYS 31 + HA LYS 31 OK 54 54 100 100 2.0-4.7 5.2=67, ~6332=35...(32) HD3 LYS 31 + HA LYS 31 OK 53 54 100 100 1.9-4.8 5.2=67, ~6332=35...(32) HD3 LYS 19 + HA LYS 19 OK 50 50 100 100 3.8-5.0 5.2=69, ~6151=39...(41) HD2 LYS 19 + HA LYS 19 OK 50 50 100 100 3.5-4.4 5.2=69, ~6151=39...(42) HD2 LYS 26 - HA LYS 31 far 5 54 10 - 5.1-10.1 HD3 LYS 26 - HA LYS 31 far 5 52 10 - 4.0-10.4 HD2 LYS 31 - HA LYS 19 far 3 66 5 - 5.1-24.1 HD3 LYS 31 - HA LYS 19 far 3 65 5 - 4.2-24.3 HD2 LYS 26 - HA LYS 36 far 0 97 0 - 5.9-11.4 HD3 LYS 26 - HA LYS 36 far 0 96 0 - 6.0-12.7 HD2 LYS 31 - HA LYS 26 far 0 78 0 - 6.5-14.6 HD2 LYS 24 - HA LYS 19 far 0 66 0 - 6.5-12.9 HD3 LYS 24 - HA LYS 19 far 0 65 0 - 6.6-13.2 HD3 LYS 24 - HA LYS 26 far 0 77 0 - 6.8-10.5 HD2 LYS 36 - HA LYS 31 far 0 58 0 - 7.5-8.1 HD3 LYS 31 - HA LYS 26 far 0 77 0 - 7.8-13.5 HD2 LYS 24 - HA LYS 26 far 0 78 0 - 7.8-10.9 HD3 LYS 19 - HA LYS 31 far 0 40 0 - 8.3-27.0 HD2 LYS 86 - HA LYS 19 far 0 64 0 - 8.6-32.1 HD2 LYS 19 - HA LYS 31 far 0 40 0 - 8.9-27.5 HD3 LYS 36 - HA LYS 31 far 0 58 0 - 9.1-9.5 HD3 LYS 86 - HA LYS 19 far 0 64 0 - 9.3-32.9 HD3 LYS 26 - HA LYS 19 far 0 63 0 - 9.7-20.2 HD3 LYS 19 - HA LYS 26 far 0 60 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 980 from cnoeabs.peaks (1.67, 4.27, 56.84 ppm; 4.57 A): 8 out of 28 assignments used, quality = 1.00: HD2 LYS 36 + HA LYS 36 OK 100 100 100 100 4.6-4.6 5.3=65, 1031/3.0=41...(29) * HD3 LYS 36 + HA LYS 36 OK 85 100 85 100 4.9-5.2 5.3=65, 1042/3.0=41...(30) HD2 LYS 26 + HA LYS 26 OK 77 77 100 100 2.0-5.1 5.0=78, ~6253=40...(34) HD3 LYS 26 + HA LYS 26 OK 60 75 80 100 2.0-5.3 5.0=78, ~6253=40...(34) HD2 LYS 31 + HA LYS 31 OK 54 54 100 100 2.0-4.7 5.2=67, ~6332=35...(32) HD3 LYS 31 + HA LYS 31 OK 53 54 100 100 1.9-4.8 5.2=67, ~6332=35...(32) HD3 LYS 19 + HA LYS 19 OK 50 50 100 100 3.8-5.0 5.2=69, ~6151=39...(41) HD2 LYS 19 + HA LYS 19 OK 50 50 100 100 3.5-4.4 5.2=69, ~6151=39...(42) HD2 LYS 26 - HA LYS 31 far 5 54 10 - 5.1-10.1 HD3 LYS 26 - HA LYS 31 far 5 52 10 - 4.0-10.4 HD2 LYS 31 - HA LYS 19 far 3 66 5 - 5.1-24.1 HD3 LYS 31 - HA LYS 19 far 3 65 5 - 4.2-24.3 HD2 LYS 26 - HA LYS 36 far 0 97 0 - 5.9-11.4 HD3 LYS 26 - HA LYS 36 far 0 96 0 - 6.0-12.7 HD2 LYS 31 - HA LYS 26 far 0 78 0 - 6.5-14.6 HD2 LYS 24 - HA LYS 19 far 0 66 0 - 6.5-12.9 HD3 LYS 24 - HA LYS 19 far 0 65 0 - 6.6-13.2 HD3 LYS 24 - HA LYS 26 far 0 77 0 - 6.8-10.5 HD2 LYS 36 - HA LYS 31 far 0 58 0 - 7.5-8.1 HD3 LYS 31 - HA LYS 26 far 0 77 0 - 7.8-13.5 HD2 LYS 24 - HA LYS 26 far 0 78 0 - 7.8-10.9 HD3 LYS 19 - HA LYS 31 far 0 40 0 - 8.3-27.0 HD2 LYS 86 - HA LYS 19 far 0 64 0 - 8.6-32.1 HD2 LYS 19 - HA LYS 31 far 0 40 0 - 8.9-27.5 HD3 LYS 36 - HA LYS 31 far 0 58 0 - 9.1-9.5 HD3 LYS 86 - HA LYS 19 far 0 64 0 - 9.3-32.9 HD3 LYS 26 - HA LYS 19 far 0 63 0 - 9.7-20.2 HD3 LYS 19 - HA LYS 26 far 0 60 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 983 from cnoeabs.peaks (7.97, 4.27, 56.84 ppm; 3.32 A): 2 out of 6 assignments used, quality = 0.99: * H ILE 37 + HA LYS 36 OK 98 100 100 98 3.4-3.5 3.6=80, 6404/3.0=44...(10) H LYS 36 + HA LYS 36 OK 60 60 100 100 2.9-2.9 3.0=100 H THR 18 - HA LYS 19 far 0 69 0 - 4.5-5.4 H SER 38 - HA LYS 36 far 0 92 0 - 6.1-6.5 H LYS 36 - HA LYS 26 far 0 43 0 - 8.9-13.9 H LYS 36 - HA LYS 31 far 0 28 0 - 9.1-9.8 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 7 assignments used, quality = 1.00: * H LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.2-3.4 6392=100, 995/1.8=75...(29) H ILE 37 + HB2 LYS 36 OK 51 60 90 94 2.9-4.4 4.6=45, 4.4/6392=39...(14) H THR 18 - HB3 LYS 19 far 0 71 0 - 5.3-6.3 H SER 38 - HB2 LYS 36 far 0 93 0 - 7.0-7.6 H LYS 36 - HB3 LYS 26 far 0 96 0 - 8.0-11.6 H LYS 36 - HB3 LYS 24 far 0 97 0 - 9.5-18.9 H THR 18 - HB3 LYS 31 far 0 71 0 - 9.9-26.4 Violated in 0 structures by 0.00 A. Peak 985 from cnoeabs.peaks (4.27, 1.82, 32.86 ppm; 3.29 A): 4 out of 41 assignments used, quality = 1.00: * HA LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.2-2.9 3.0=100 HA LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.5-2.6 3.0=100 HA LYS 26 + HB3 LYS 26 OK 95 95 100 100 2.3-3.0 3.0=100 HA LYS 19 + HB3 LYS 19 OK 95 95 100 100 2.5-2.7 3.0=100 HA THR 25 - HB3 LYS 24 far 0 84 0 - 4.0-5.1 HA ARG 23 - HB3 LYS 31 far 0 93 0 - 4.2-18.0 HA LYS 26 - HB3 LYS 31 far 0 96 0 - 4.5-12.4 HA LYS 31 - HB3 LYS 26 far 0 96 0 - 4.5-10.2 HA ALA 21 - HB3 LYS 24 far 0 86 0 - 4.9-10.5 HA ARG 23 - HB3 LYS 24 far 0 91 0 - 5.0-6.4 HA THR 25 - HB3 LYS 26 far 0 84 0 - 5.0-5.9 HA LEU 22 - HB3 LYS 24 far 0 94 0 - 5.3-7.5 HA ARG 23 - HB3 LYS 19 far 0 92 0 - 5.5-10.2 HA LYS 19 - HB3 LYS 24 far 0 94 0 - 5.5-13.9 HA LYS 31 - HB3 LYS 19 far 0 97 0 - 5.6-24.7 HA LYS 19 - HB3 LYS 31 far 0 95 0 - 5.7-24.3 HA ALA 16 - HB3 LYS 19 far 0 97 0 - 5.7-10.7 HA SER 74 - HB3 LYS 19 far 0 85 0 - 5.9-33.4 HA THR 25 - HB3 LYS 19 far 0 85 0 - 6.3-15.9 HA ALA 12 - HB3 LYS 19 far 0 93 0 - 6.3-23.2 HA THR 18 - HB3 LYS 19 far 0 83 0 - 6.4-6.6 HA ALA 15 - HB3 LYS 19 far 0 93 0 - 6.5-13.8 HA LYS 26 - HB3 LYS 24 far 0 95 0 - 6.7-8.2 HA ALA 21 - HB3 LYS 19 far 0 87 0 - 7.2-8.0 HA SER 74 - HB3 LYS 24 far 0 84 0 - 7.3-23.2 HA LEU 22 - HB3 LYS 31 far 0 96 0 - 7.4-21.9 HA THR 25 - HB3 LYS 31 far 0 86 0 - 7.6-16.2 HA LEU 22 - HB3 LYS 19 far 0 95 0 - 7.6-9.6 HA LYS 26 - HB3 LYS 19 far 0 96 0 - 7.7-15.6 HA LYS 31 - HB2 LYS 36 far 0 100 0 - 7.8-9.5 HA ARG 23 - HB3 LYS 26 far 0 91 0 - 8.1-10.1 HA LEU 22 - HB3 LYS 26 far 0 94 0 - 8.2-13.9 HA ALA 21 - HB3 LYS 31 far 0 87 0 - 8.4-23.5 HA LYS 36 - HB3 LYS 26 far 0 96 0 - 8.7-14.1 HA THR 25 - HB2 LYS 36 far 0 90 0 - 9.0-16.2 HA THR 18 - HB3 LYS 24 far 0 82 0 - 9.0-14.7 HA ALA 12 - HB3 LYS 31 far 0 94 0 - 9.4-38.7 HA LYS 26 - HB2 LYS 36 far 0 99 0 - 9.4-16.2 HA THR 18 - HB3 LYS 31 far 0 84 0 - 9.5-26.0 HA ALA 16 - HB3 LYS 31 far 0 98 0 - 9.6-28.5 HA PHE 87 - HB3 LYS 19 far 0 93 0 - 9.8-38.8 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 3 assignments used, quality = 1.00: * HB3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 90 - HB3 LYS 19 far 0 55 0 - 8.2-38.1 HB3 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 988 from cnoeabs.peaks (1.38, 1.82, 32.86 ppm; 3.45 A): 5 out of 31 assignments used, quality = 1.00: * HG2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.7-2.9 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.4-3.0 2.9=100 HG3 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.5-3.0 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 2.7-2.8 3.0=100 QB ALA 28 - HB3 LYS 26 far 10 96 10 - 3.7-6.5 QB ALA 29 - HB3 LYS 26 far 5 96 5 - 4.0-7.6 HG3 LYS 31 - HB3 LYS 19 far 0 93 0 - 4.5-24.5 QB ALA 29 - HB2 LYS 36 far 0 100 0 - 5.0-8.1 HG3 LYS 31 - HB3 LYS 26 far 0 92 0 - 5.1-11.5 QB ALA 15 - HB3 LYS 19 far 0 97 0 - 5.1-12.8 HG3 LYS 26 - HB3 LYS 31 far 0 98 0 - 5.2-13.1 HG2 LYS 24 - HB3 LYS 19 far 0 97 0 - 5.9-12.2 QB ALA 12 - HB3 LYS 31 far 0 76 0 - 6.1-32.3 QB ALA 28 - HB3 LYS 31 far 0 98 0 - 6.3-7.6 QB ALA 28 - HB3 LYS 24 far 0 96 0 - 6.4-12.7 QB ALA 16 - HB3 LYS 31 far 0 69 0 - 6.4-24.2 QB ALA 16 - HB3 LYS 19 far 0 68 0 - 6.6-10.0 HG2 LYS 19 - HB3 LYS 31 far 0 86 0 - 6.7-24.1 QB ALA 12 - HB3 LYS 19 far 0 75 0 - 6.9-20.3 QB ALA 29 - HB3 LYS 31 far 0 98 0 - 7.0-7.7 HG3 LYS 31 - HB2 LYS 36 far 0 97 0 - 7.5-12.4 HG3 LYS 26 - HB3 LYS 24 far 0 96 0 - 7.5-8.6 HG2 LYS 24 - HB3 LYS 31 far 0 98 0 - 7.8-20.3 QB ALA 29 - HB3 LYS 24 far 0 97 0 - 7.8-14.9 HG3 LYS 26 - HB3 LYS 19 far 0 97 0 - 7.9-18.0 HG2 LYS 19 - HB3 LYS 24 far 0 84 0 - 8.1-14.8 HG3 LYS 26 - HB2 LYS 36 far 0 100 0 - 8.6-13.7 HG3 LYS 31 - HB3 LYS 24 far 0 92 0 - 8.9-20.1 QB ALA 12 - HB2 LYS 36 far 0 81 0 - 9.6-35.7 QB ALA 28 - HB2 LYS 36 far 0 100 0 - 9.9-11.2 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 18 assignments used, quality = 1.00: * HG3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 74 74 100 100 2.4-2.7 2.9=100 HG3 LYS 19 + HB3 LYS 19 OK 71 71 100 100 2.2-2.2 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 66 66 100 100 2.3-3.0 3.0=100 HG13 ILE 32 + HB3 LYS 26 OK 23 57 50 80 3.2-5.7 1.8/913=25, 2.1/929=23...(18) HG2 LYS 31 - HB3 LYS 26 far 0 64 0 - 5.1-12.2 HG13 ILE 32 - HB3 LYS 31 far 0 59 0 - 5.5-6.8 HG2 LYS 31 - HB3 LYS 19 far 0 66 0 - 5.6-22.9 HG3 LYS 24 - HB3 LYS 19 far 0 75 0 - 5.6-13.8 HG3 LYS 19 - HB3 LYS 31 far 0 71 0 - 6.3-24.1 HG13 ILE 32 - HB2 LYS 36 far 0 63 0 - 7.2-9.3 HG3 LYS 19 - HB3 LYS 24 far 0 69 0 - 7.9-15.5 HG3 LYS 86 - HB3 LYS 19 far 0 95 0 - 8.1-35.0 HG3 LYS 24 - HB3 LYS 31 far 0 76 0 - 8.8-21.0 HG2 LYS 31 - HB2 LYS 36 far 0 71 0 - 9.0-11.1 HG2 LYS 31 - HB3 LYS 24 far 0 65 0 - 9.1-21.2 HG3 LYS 19 - HB3 LYS 26 far 0 69 0 - 9.9-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 57 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 990 from cnoeabs.peaks (1.67, 1.82, 32.86 ppm; 5.38 A): 10 out of 36 assignments used, quality = 1.00: * HD2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-3.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 3.0-4.0 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 95 95 100 100 2.0-3.8 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 94 94 100 100 2.1-4.1 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.5-4.2 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 92 92 100 100 2.1-3.7 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.0-3.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 90 90 100 100 2.0-3.3 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 75 75 100 100 3.3-4.2 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 75 75 100 100 3.5-4.1 3.9=100 HD2 LYS 26 - HB3 LYS 31 poor 19 94 20 - 4.7-11.2 HD3 LYS 26 - HB3 LYS 31 far 9 92 10 - 3.5-10.7 HD2 LYS 31 - HB3 LYS 19 far 5 94 5 - 3.4-23.3 HD3 LYS 31 - HB3 LYS 19 far 5 93 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 26 far 5 93 5 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 96 0 - 6.1-12.6 HD2 LYS 26 - HB2 LYS 36 far 0 97 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 93 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 94 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 92 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 92 0 - 6.8-12.2 HD3 LYS 86 - HB3 LYS 19 far 0 92 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 76 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 97 0 - 8.1-12.5 HD2 LYS 31 - HB2 LYS 36 far 0 98 0 - 8.3-12.3 HD2 LYS 19 - HB3 LYS 31 far 0 76 0 - 8.4-26.6 HD3 LYS 26 - HB3 LYS 24 far 0 90 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 74 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 92 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 98 0 - 9.3-10.5 HD3 LYS 24 - HB3 LYS 26 far 0 92 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 91 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 93 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 74 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 95 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 991 from cnoeabs.peaks (1.67, 1.82, 32.86 ppm; 5.38 A): 10 out of 36 assignments used, quality = 1.00: HD2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-3.2 3.5=100 * HD3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 3.0-4.0 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 95 95 100 100 2.0-3.8 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 94 94 100 100 2.1-4.1 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.5-4.2 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 92 92 100 100 2.1-3.7 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.0-3.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 90 90 100 100 2.0-3.3 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 75 75 100 100 3.3-4.2 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 75 75 100 100 3.5-4.1 3.9=100 HD2 LYS 26 - HB3 LYS 31 poor 19 94 20 - 4.7-11.2 HD3 LYS 26 - HB3 LYS 31 far 9 92 10 - 3.5-10.7 HD2 LYS 31 - HB3 LYS 19 far 5 94 5 - 3.4-23.3 HD3 LYS 31 - HB3 LYS 19 far 5 93 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 26 far 5 93 5 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 96 0 - 6.1-12.6 HD2 LYS 26 - HB2 LYS 36 far 0 97 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 93 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 94 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 92 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 92 0 - 6.8-12.2 HD3 LYS 86 - HB3 LYS 19 far 0 92 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 76 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 97 0 - 8.1-12.5 HD2 LYS 31 - HB2 LYS 36 far 0 98 0 - 8.3-12.3 HD2 LYS 19 - HB3 LYS 31 far 0 76 0 - 8.4-26.6 HD3 LYS 26 - HB3 LYS 24 far 0 90 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 74 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 92 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 98 0 - 9.3-10.5 HD3 LYS 24 - HB3 LYS 26 far 0 92 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 91 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 93 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 96 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 74 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 95 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 992 from cnoeabs.peaks (2.96, 1.82, 32.86 ppm; 6.80 A): 10 out of 34 assignments used, quality = 1.00: * HE2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 3.5-4.5 4.9=100 HE3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.8-4.2 4.9=100 HE2 LYS 19 + HB3 LYS 19 OK 97 97 100 100 3.3-5.4 5.1=100 HE2 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.0-5.0 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.0-5.3 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.4-4.6 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 95 95 100 100 3.2-5.4 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 94 94 100 100 2.2-5.0 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 92 92 100 100 3.6-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 92 92 100 100 3.7-4.6 4.8=100 HE3 LYS 26 - HB3 LYS 31 far 14 94 15 - 6.0-13.3 HE2 LYS 26 - HB3 LYS 31 far 14 94 15 - 6.3-12.4 HE2 LYS 26 - HB2 LYS 36 far 10 97 10 - 5.4-11.8 HE3 LYS 26 - HB2 LYS 36 far 5 97 5 - 7.1-12.9 HE2 LYS 24 - HB3 LYS 19 far 5 97 5 - 6.7-14.4 HE3 LYS 86 - HB3 LYS 19 far 5 97 5 - 6.9-34.7 HE3 LYS 24 - HB3 LYS 19 far 5 97 5 - 5.6-14.9 HE2 LYS 31 - HB3 LYS 19 far 5 95 5 - 5.6-25.7 HE2 LYS 31 - HB3 LYS 26 far 5 94 5 - 6.8-14.2 HE3 LYS 31 - HB3 LYS 19 far 5 93 5 - 4.9-25.2 HE3 LYS 26 - HB3 LYS 19 far 5 93 5 - 7.3-19.5 HE3 LYS 31 - HB3 LYS 26 far 5 92 5 - 6.5-14.0 HE3 LYS 26 - HB3 LYS 24 far 0 92 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 99 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 93 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 96 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 98 0 - 8.2-25.8 HE2 LYS 26 - HB3 LYS 24 far 0 92 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 97 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 94 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 97 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 96 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 98 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 98 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 993 from cnoeabs.peaks (2.96, 1.82, 32.86 ppm; 6.80 A): 10 out of 34 assignments used, quality = 1.00: * HE3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.8-4.2 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 3.5-4.5 4.9=100 HE2 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.0-5.3 4.8=100 HE3 LYS 19 + HB3 LYS 19 OK 97 97 100 100 3.2-5.4 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 97 97 100 100 3.3-5.4 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.4-4.6 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.2-5.0 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 95 95 100 100 2.0-5.0 5.1=100 HE2 LYS 26 + HB3 LYS 26 OK 95 95 100 100 3.6-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 95 95 100 100 3.7-4.6 4.8=100 HE3 LYS 26 - HB3 LYS 31 far 14 96 15 - 6.0-13.3 HE2 LYS 26 - HB3 LYS 31 far 14 96 15 - 6.3-12.4 HE2 LYS 26 - HB2 LYS 36 far 10 99 10 - 5.4-11.8 HE3 LYS 26 - HB2 LYS 36 far 5 99 5 - 7.1-12.9 HE3 LYS 24 - HB3 LYS 19 far 5 97 5 - 5.6-14.9 HE2 LYS 31 - HB3 LYS 19 far 5 97 5 - 5.6-25.7 HE3 LYS 86 - HB3 LYS 19 far 5 97 5 - 6.9-34.7 HE3 LYS 31 - HB3 LYS 19 far 5 96 5 - 4.9-25.2 HE2 LYS 31 - HB3 LYS 26 far 5 96 5 - 6.8-14.2 HE2 LYS 24 - HB3 LYS 19 far 5 96 5 - 6.7-14.4 HE3 LYS 26 - HB3 LYS 19 far 5 96 5 - 7.3-19.5 HE3 LYS 31 - HB3 LYS 26 far 5 95 5 - 6.5-14.0 HE3 LYS 26 - HB3 LYS 24 far 0 95 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 100 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 96 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 98 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 98 0 - 8.2-25.8 HE2 LYS 26 - HB3 LYS 24 far 0 95 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 99 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 96 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 98 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 96 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 96 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 97 0 - 9.4-12.3 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 7 assignments used, quality = 0.98: * H ILE 37 + HB2 LYS 36 OK 95 100 95 100 2.9-4.4 6404=100, 6405/1.8=57...(14) H LYS 36 + HB2 LYS 36 OK 60 60 100 99 2.2-3.4 3.9=86, 4.4/6404=39...(29) H THR 18 - HB3 LYS 19 far 0 96 0 - 5.3-6.3 H SER 38 - HB2 LYS 36 far 0 92 0 - 7.0-7.6 H LYS 36 - HB3 LYS 26 far 0 54 0 - 8.0-11.6 H LYS 36 - HB3 LYS 24 far 0 54 0 - 9.5-18.9 H THR 18 - HB3 LYS 31 far 0 96 0 - 9.9-26.4 Violated in 0 structures by 0.00 A. Peak 995 from cnoeabs.peaks (8.00, 1.88, 32.86 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.2-3.5 6393=89, 6392/1.8=81...(27) H ILE 37 - HB3 LYS 36 far 6 60 10 - 3.3-4.3 H SER 38 - HB3 LYS 36 far 0 93 0 - 7.3-7.6 Violated in 1 structures by 0.00 A. Peak 996 from cnoeabs.peaks (4.27, 1.88, 32.86 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.2-2.9 3.0=100 HA LYS 31 - HB3 LYS 36 far 0 100 0 - 8.0-9.7 HA THR 25 - HB3 LYS 36 far 0 90 0 - 9.6-16.7 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 4 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 far 0 100 0 - 5.5-6.8 HB3 LYS 26 - HB3 LYS 36 far 0 100 0 - 9.0-13.2 HB2 CYS 79 - HB3 LYS 36 far 0 78 0 - 9.1-11.8 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 5 assignments used, quality = 1.00: * HG2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.7-2.9 3.0=100 QB ALA 29 - HB3 LYS 36 far 0 100 0 - 4.6-8.3 HG3 LYS 31 - HB3 LYS 36 far 0 97 0 - 8.2-12.2 HG3 LYS 26 - HB3 LYS 36 far 0 100 0 - 8.3-13.1 QB ALA 28 - HB3 LYS 36 far 0 100 0 - 9.7-11.7 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 3 assignments used, quality = 1.00: * HG3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.2-2.9 3.0=100 HG13 ILE 32 - HB3 LYS 36 far 0 63 0 - 7.7-9.0 HG2 LYS 31 - HB3 LYS 36 far 0 71 0 - 9.0-12.1 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 6 assignments used, quality = 1.00: * HD2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.0-3.1 3.5=100 HD3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.3-4.0 3.5=100 HD3 LYS 26 - HB3 LYS 36 far 0 96 0 - 6.0-12.2 HD2 LYS 26 - HB3 LYS 36 far 0 97 0 - 6.5-10.6 HD3 LYS 31 - HB3 LYS 36 far 0 97 0 - 8.9-13.7 HD2 LYS 31 - HB3 LYS 36 far 0 98 0 - 8.9-13.1 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 6 assignments used, quality = 1.00: HD2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.0-3.1 3.5=100 * HD3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.3-4.0 3.5=100 HD3 LYS 26 - HB3 LYS 36 far 0 96 0 - 6.0-12.2 HD2 LYS 26 - HB3 LYS 36 far 0 97 0 - 6.5-10.6 HD3 LYS 31 - HB3 LYS 36 far 0 97 0 - 8.9-13.7 HD2 LYS 31 - HB3 LYS 36 far 0 98 0 - 8.9-13.1 Violated in 0 structures by 0.00 A. Peak 1003 from cnoeabs.peaks (2.96, 1.88, 32.86 ppm; 6.23 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.2-4.8 4.9=100 HE3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.1-4.7 4.9=100 HE2 LYS 26 - HB3 LYS 36 far 5 97 5 - 5.0-10.9 HE3 LYS 26 - HB3 LYS 36 far 5 97 5 - 6.7-12.5 HE2 LYS 31 - HB3 LYS 36 far 0 99 0 - 8.5-14.0 HE3 LYS 31 - HB3 LYS 36 far 0 97 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 1004 from cnoeabs.peaks (2.96, 1.88, 32.86 ppm; 6.23 A): 2 out of 6 assignments used, quality = 1.00: * HE3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.1-4.7 4.9=100 HE2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.2-4.8 4.9=100 HE2 LYS 26 - HB3 LYS 36 far 5 99 5 - 5.0-10.9 HE3 LYS 26 - HB3 LYS 36 far 5 99 5 - 6.7-12.5 HE2 LYS 31 - HB3 LYS 36 far 0 100 0 - 8.5-14.0 HE3 LYS 31 - HB3 LYS 36 far 0 99 0 - 9.4-12.9 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 3 assignments used, quality = 1.00: * H ILE 37 + HB3 LYS 36 OK 100 100 100 100 3.3-4.3 6404/1.8=73, 6405=60...(11) H LYS 36 + HB3 LYS 36 OK 59 60 100 99 2.2-3.5 3.9=83, 6392/1.8=41...(27) H SER 38 - HB3 LYS 36 far 0 92 0 - 7.3-7.6 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 9 assignments used, quality = 1.00: * H LYS 36 + HG2 LYS 36 OK 100 100 100 100 3.6-3.9 6394=100, 6392/3.0=82...(41) H ILE 37 + HG2 LYS 36 OK 59 60 100 99 2.7-3.0 4.4/6394=49...(14) H THR 18 + HG2 LYS 19 OK 23 30 100 77 3.0-4.2 6144/6151=45, 10683=22...(7) H SER 38 - HG2 LYS 36 far 5 93 5 - 4.8-5.2 H LYS 36 - HG3 LYS 26 far 0 60 0 - 8.1-11.6 H THR 18 - HG3 LYS 31 far 0 54 0 - 8.4-27.3 H THR 18 - HG2 LYS 24 far 0 51 0 - 9.0-14.0 H LYS 36 - HG3 LYS 31 far 0 81 0 - 9.0-12.3 H ILE 37 - HG3 LYS 26 far 0 29 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 1007 from cnoeabs.peaks (4.27, 1.38, 24.92 ppm; 4.51 A): 8 out of 41 assignments used, quality = 1.00: * HA LYS 36 + HG2 LYS 36 OK 100 100 100 100 3.1-3.3 4.1=100 HA LYS 31 + HG3 LYS 31 OK 81 81 100 100 2.2-3.7 3.8=100 HA ARG 23 + HG2 LYS 24 OK 59 70 95 88 4.1-5.3 424/6222=78, 2.9/832=14...(10) HA LYS 26 + HG3 LYS 26 OK 58 58 100 100 2.6-3.7 4.0=100 HA LEU 22 + HG2 LYS 24 OK 50 74 90 74 2.7-6.3 2.9/1309=25...(13) HA THR 25 + HG3 LYS 26 OK 48 49 100 99 3.1-4.0 11150=85, 3.6/6253=71...(11) HA LYS 19 + HG2 LYS 19 OK 45 45 100 100 3.5-3.6 4.2=100 HA THR 18 + HG2 LYS 19 OK 29 37 80 96 4.7-5.2 3.6/6151=59...(15) HA ALA 16 - HG2 LYS 19 far 5 48 10 - 3.4-8.5 HA LYS 19 - HG3 LYS 31 far 4 78 5 - 4.8-25.5 HA ARG 23 - HG3 LYS 31 far 4 74 5 - 3.3-17.9 HA LYS 19 - HG2 LYS 24 far 4 73 5 - 4.8-11.2 HA ALA 21 - HG2 LYS 24 far 3 65 5 - 3.3-8.9 HA ALA 15 - HG2 LYS 19 far 0 44 0 - 5.5-11.6 HA LEU 22 - HG3 LYS 31 far 0 78 0 - 6.0-22.9 HA ALA 21 - HG3 LYS 31 far 0 69 0 - 6.0-24.0 HA ALA 21 - HG2 LYS 19 far 0 39 0 - 6.3-6.9 HA THR 25 - HG2 LYS 24 far 0 63 0 - 6.3-6.5 HA LYS 31 - HG3 LYS 26 far 0 60 0 - 6.6-12.4 HA SER 74 - HG2 LYS 19 far 0 38 0 - 6.7-33.1 HA LYS 26 - HG3 LYS 31 far 0 79 0 - 6.8-12.7 HA ARG 23 - HG2 LYS 19 far 0 43 0 - 6.8-10.5 HA ARG 23 - HG3 LYS 26 far 0 54 0 - 6.9-9.9 HA ALA 12 - HG3 LYS 31 far 0 76 0 - 6.9-38.6 HA LYS 31 - HG2 LYS 19 far 0 47 0 - 6.9-25.0 HA ALA 12 - HG2 LYS 19 far 0 44 0 - 7.0-21.6 HA LEU 22 - HG3 LYS 26 far 0 58 0 - 7.5-13.1 HA THR 18 - HG2 LYS 24 far 0 62 0 - 7.5-12.7 HA THR 18 - HG3 LYS 31 far 0 66 0 - 7.6-27.1 HA LYS 36 - HG3 LYS 26 far 0 60 0 - 7.8-13.9 HA LEU 22 - HG2 LYS 19 far 0 46 0 - 7.9-9.4 HA LYS 26 - HG2 LYS 24 far 0 75 0 - 8.0-9.2 HA THR 25 - HG2 LYS 19 far 0 38 0 - 8.7-15.3 HA PHE 87 - HG2 LYS 19 far 0 44 0 - 8.7-38.9 HA ALA 21 - HG3 LYS 26 far 0 50 0 - 8.9-15.7 HA LYS 26 - HG2 LYS 19 far 0 46 0 - 8.9-15.8 HA THR 25 - HG3 LYS 31 far 0 67 0 - 9.2-16.6 HA THR 18 - HG3 LYS 26 far 0 47 0 - 9.4-18.6 HA ALA 16 - HG3 LYS 31 far 0 81 0 - 9.4-28.3 HA LYS 31 - HG2 LYS 24 far 0 76 0 - 9.5-19.9 HA LYS 19 - HG3 LYS 26 far 0 57 0 - 9.9-17.8 Violated in 0 structures by 0.00 A. Peak 1008 from cnoeabs.peaks (1.82, 1.38, 24.92 ppm; 4.14 A): 5 out of 30 assignments used, quality = 1.00: * HB2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.7-2.9 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 2.4-3.0 2.9=100 HB3 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.5-3.0 3.0=100 HB3 LYS 19 + HG2 LYS 19 OK 47 47 100 100 2.7-2.8 3.0=100 HB3 LYS 19 - HG3 LYS 31 far 4 80 5 - 4.5-24.5 HB3 ARG 23 - HG2 LYS 24 far 4 75 5 - 4.5-6.6 HB3 ARG 23 - HG3 LYS 31 far 0 79 0 - 5.0-20.1 HB3 LYS 26 - HG3 LYS 31 far 0 81 0 - 5.1-11.5 HB3 LYS 31 - HG3 LYS 26 far 0 59 0 - 5.2-13.1 HB3 ARG 23 - HG3 LYS 26 far 0 58 0 - 5.2-11.9 HB ILE 32 - HG3 LYS 26 far 0 60 0 - 5.4-7.7 HB3 LYS 19 - HG2 LYS 24 far 0 75 0 - 5.9-12.2 HB ILE 32 - HG3 LYS 31 far 0 81 0 - 6.3-8.2 HB3 LYS 31 - HG2 LYS 19 far 0 47 0 - 6.7-24.1 HB3 ARG 23 - HG2 LYS 19 far 0 46 0 - 7.0-10.5 HB2 LYS 36 - HG3 LYS 31 far 0 81 0 - 7.5-12.4 HB3 LYS 24 - HG3 LYS 26 far 0 60 0 - 7.5-8.6 HB ILE 32 - HG2 LYS 36 far 0 100 0 - 7.6-8.8 HB3 LYS 31 - HG2 LYS 24 far 0 75 0 - 7.8-20.3 HB3 LYS 19 - HG3 LYS 26 far 0 59 0 - 7.9-18.0 HB3 LYS 24 - HG2 LYS 19 far 0 47 0 - 8.1-14.8 HB2 LYS 36 - HG3 LYS 26 far 0 60 0 - 8.6-13.7 HB2 LYS 86 - HG2 LYS 19 far 0 31 0 - 8.6-36.4 HB2 CYS 79 - HG2 LYS 36 far 0 78 0 - 8.7-10.3 HB3 LYS 24 - HG3 LYS 31 far 0 80 0 - 8.9-20.1 HB2 CYS 79 - HG2 LYS 19 far 0 31 0 - 9.5-31.5 HB2 CYS 79 - HG3 LYS 26 far 0 40 0 - 9.7-15.8 HB2 CYS 79 - HG2 LYS 24 far 0 53 0 - 9.7-23.7 HB VAL 93 - HG2 LYS 19 far 0 43 0 - 9.8-38.5 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 4 assignments used, quality = 1.00: * HB3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.7-2.9 3.0=100 HB2 ARG 90 - HG2 LYS 19 far 0 22 0 - 7.3-38.0 HB3 LYS 36 - HG3 LYS 31 far 0 81 0 - 8.2-12.2 HB3 LYS 36 - HG3 LYS 26 far 0 60 0 - 8.3-13.1 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 19 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 0 31 0 - 4.7-7.3 HG3 LYS 19 - HG3 LYS 31 far 0 54 0 - 5.7-24.8 HG2 LYS 31 - HG3 LYS 26 far 0 35 0 - 5.9-14.2 HG2 LYS 31 - HG2 LYS 19 far 0 27 0 - 6.2-23.2 HG13 ILE 32 - HG3 LYS 31 far 0 44 0 - 6.4-7.6 HG2 LYS 31 - HG2 LYS 24 far 0 47 0 - 7.5-21.3 HG3 LYS 24 - HG2 LYS 19 far 0 32 0 - 7.6-13.9 HG3 LYS 24 - HG3 LYS 31 far 0 58 0 - 7.7-21.4 HG3 LYS 19 - HG2 LYS 24 far 0 51 0 - 8.0-13.2 HG3 LYS 19 - HG3 LYS 26 far 0 39 0 - 8.4-18.3 HG3 LYS 36 - HG3 LYS 31 far 0 81 0 - 8.7-13.1 HG3 LYS 86 - HG2 LYS 19 far 0 45 0 - 8.9-35.4 HG3 LYS 24 - HG3 LYS 26 far 0 42 0 - 9.1-10.6 HG LEU 42 - HG2 LYS 36 far 0 83 0 - 9.8-11.2 HG13 ILE 32 - HG2 LYS 36 far 0 63 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 1012 from cnoeabs.peaks (1.67, 1.38, 24.92 ppm; 4.26 A): 10 out of 37 assignments used, quality = 1.00: HD3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-2.3 3.0=100 * HD2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.7-2.9 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 2.2-3.0 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 2.4-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 55 55 100 100 2.3-3.0 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 53 53 100 100 2.6-3.0 2.9=100 HD2 LYS 19 + HG2 LYS 19 OK 32 32 100 100 2.2-2.7 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 32 32 100 100 2.3-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 7 73 10 - 4.1-12.0 HD3 LYS 31 - HG2 LYS 19 far 2 44 5 - 3.6-23.8 HD2 LYS 31 - HG2 LYS 19 far 0 44 0 - 4.9-23.9 HD2 LYS 26 - HG3 LYS 31 far 0 76 0 - 5.4-12.2 HD2 LYS 36 - HG3 LYS 31 far 0 81 0 - 6.6-10.5 HD3 LYS 31 - HG3 LYS 26 far 0 55 0 - 6.8-14.4 HD2 LYS 31 - HG3 LYS 26 far 0 56 0 - 6.9-14.3 HD2 LYS 19 - HG3 LYS 31 far 0 58 0 - 7.5-27.4 HD3 LYS 24 - HG2 LYS 19 far 0 44 0 - 7.5-14.7 HD3 LYS 19 - HG3 LYS 31 far 0 58 0 - 7.7-26.9 HD2 LYS 86 - HG2 LYS 19 far 0 43 0 - 7.8-33.2 HD3 LYS 36 - HG3 LYS 31 far 0 81 0 - 7.9-11.7 HD3 LYS 86 - HG2 LYS 19 far 0 43 0 - 8.2-34.2 HD2 LYS 24 - HG2 LYS 19 far 0 44 0 - 8.4-14.5 HD2 LYS 19 - HG2 LYS 24 far 0 55 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 96 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 97 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 55 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 71 0 - 9.0-21.0 HD2 LYS 36 - HG3 LYS 26 far 0 60 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 69 0 - 9.3-12.6 HD2 LYS 24 - HG3 LYS 31 far 0 77 0 - 9.3-22.5 HD2 LYS 31 - HG2 LYS 24 far 0 72 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 55 0 - 9.5-14.5 HD3 LYS 24 - HG3 LYS 31 far 0 76 0 - 9.8-21.7 HD3 LYS 26 - HG2 LYS 19 far 0 42 0 - 9.8-19.7 HD2 LYS 24 - HG3 LYS 26 far 0 56 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 1013 from cnoeabs.peaks (1.67, 1.38, 24.92 ppm; 4.26 A): 10 out of 37 assignments used, quality = 1.00: * HD3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-2.3 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.7-2.9 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 2.2-3.0 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 2.4-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 55 55 100 100 2.3-3.0 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 53 53 100 100 2.6-3.0 2.9=100 HD2 LYS 19 + HG2 LYS 19 OK 32 32 100 100 2.2-2.7 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 32 32 100 100 2.3-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 7 73 10 - 4.1-12.0 HD3 LYS 31 - HG2 LYS 19 far 2 44 5 - 3.6-23.8 HD2 LYS 31 - HG2 LYS 19 far 0 44 0 - 4.9-23.9 HD2 LYS 26 - HG3 LYS 31 far 0 76 0 - 5.4-12.2 HD2 LYS 36 - HG3 LYS 31 far 0 81 0 - 6.6-10.5 HD3 LYS 31 - HG3 LYS 26 far 0 55 0 - 6.8-14.4 HD2 LYS 31 - HG3 LYS 26 far 0 56 0 - 6.9-14.3 HD2 LYS 19 - HG3 LYS 31 far 0 58 0 - 7.5-27.4 HD3 LYS 24 - HG2 LYS 19 far 0 44 0 - 7.5-14.7 HD3 LYS 19 - HG3 LYS 31 far 0 58 0 - 7.7-26.9 HD2 LYS 86 - HG2 LYS 19 far 0 43 0 - 7.8-33.2 HD3 LYS 36 - HG3 LYS 31 far 0 81 0 - 7.9-11.7 HD3 LYS 86 - HG2 LYS 19 far 0 43 0 - 8.2-34.2 HD2 LYS 24 - HG2 LYS 19 far 0 44 0 - 8.4-14.5 HD2 LYS 19 - HG2 LYS 24 far 0 55 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 96 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 97 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 55 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 71 0 - 9.0-21.0 HD2 LYS 36 - HG3 LYS 26 far 0 60 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 69 0 - 9.3-12.6 HD2 LYS 24 - HG3 LYS 31 far 0 77 0 - 9.3-22.5 HD2 LYS 31 - HG2 LYS 24 far 0 72 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 55 0 - 9.5-14.5 HD3 LYS 24 - HG3 LYS 31 far 0 76 0 - 9.8-21.7 HD3 LYS 26 - HG2 LYS 19 far 0 42 0 - 9.8-19.7 HD2 LYS 24 - HG3 LYS 26 far 0 56 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 1014 from cnoeabs.peaks (2.96, 1.38, 24.92 ppm; 5.32 A): 10 out of 41 assignments used, quality = 1.00: * HE2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 3.1-4.1 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 3.1-4.2 4.0=100 HE2 LYS 31 + HG3 LYS 31 OK 78 78 100 100 2.1-4.2 3.7=100 HE2 LYS 24 + HG2 LYS 24 OK 76 76 100 100 2.1-4.1 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 76 76 100 100 2.0-4.2 4.0=100 HE3 LYS 31 + HG3 LYS 31 OK 76 76 100 100 2.0-4.0 3.7=100 HE3 LYS 26 + HG3 LYS 26 OK 55 55 100 100 2.0-3.4 3.6=100 HE2 LYS 26 + HG3 LYS 26 OK 55 55 100 100 2.3-3.8 3.6=100 HE2 LYS 19 + HG2 LYS 19 OK 48 48 100 100 2.8-3.7 3.8=100 HE3 LYS 19 + HG2 LYS 19 OK 46 46 100 100 2.1-4.1 3.8=100 HE3 LYS 31 - HG2 LYS 19 far 2 44 5 - 4.6-26.0 HE2 LYS 26 - HG3 LYS 31 far 0 76 0 - 6.1-13.8 HE2 LYS 31 - HG2 LYS 19 far 0 46 0 - 6.1-26.2 HE3 LYS 26 - HG3 LYS 31 far 0 76 0 - 6.1-14.7 HE3 LYS 36 - HG3 LYS 31 far 0 80 0 - 6.3-11.5 HE3 LYS 24 - HG2 LYS 19 far 0 47 0 - 6.5-14.6 HE2 LYS 36 - HG3 LYS 31 far 0 81 0 - 6.5-12.0 HE3 LYS 86 - HG2 LYS 19 far 0 47 0 - 6.8-34.9 HE2 LYS 26 - HG2 LYS 36 far 0 97 0 - 7.3-12.6 HE3 LYS 19 - HG3 LYS 31 far 0 78 0 - 7.7-28.1 HE2 LYS 24 - HG2 LYS 19 far 0 47 0 - 8.0-15.1 HE2 LYS 24 - HG3 LYS 31 far 0 81 0 - 8.1-23.8 HE2 LYS 31 - HG3 LYS 26 far 0 58 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 55 0 - 8.6-15.9 HE2 LYS 19 - HG3 LYS 31 far 0 81 0 - 8.6-26.5 HE3 LYS 26 - HG2 LYS 24 far 0 71 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 19 far 0 44 0 - 8.8-19.2 HE3 LYS 26 - HG2 LYS 36 far 0 97 0 - 8.9-13.8 HE2 LYS 26 - HG2 LYS 19 far 0 44 0 - 9.0-20.5 HE2 LYS 19 - HG3 LYS 26 far 0 60 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 74 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 92 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 99 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 74 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 77 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 58 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 59 0 - 9.8-15.3 HE3 LYS 24 - HG3 LYS 31 far 0 80 0 - 9.8-23.3 HE2 LYS 26 - HG2 LYS 24 far 0 71 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 60 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 71 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 1015 from cnoeabs.peaks (2.96, 1.38, 24.92 ppm; 5.33 A): 10 out of 41 assignments used, quality = 1.00: * HE3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 3.1-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 3.1-4.1 4.0=100 HE2 LYS 31 + HG3 LYS 31 OK 80 80 100 100 2.1-4.2 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 79 79 100 100 2.0-4.0 3.7=100 HE3 LYS 24 + HG2 LYS 24 OK 77 77 100 100 2.0-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 75 75 100 100 2.1-4.1 4.0=100 HE3 LYS 26 + HG3 LYS 26 OK 58 58 100 100 2.0-3.4 3.6=100 HE2 LYS 26 + HG3 LYS 26 OK 58 58 100 100 2.3-3.8 3.6=100 HE3 LYS 19 + HG2 LYS 19 OK 47 47 100 100 2.1-4.1 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 47 47 100 100 2.8-3.7 3.8=100 HE3 LYS 31 - HG2 LYS 19 far 2 46 5 - 4.6-26.0 HE2 LYS 26 - HG3 LYS 31 far 0 79 0 - 6.1-13.8 HE2 LYS 31 - HG2 LYS 19 far 0 47 0 - 6.1-26.2 HE3 LYS 26 - HG3 LYS 31 far 0 79 0 - 6.1-14.7 HE3 LYS 36 - HG3 LYS 31 far 0 81 0 - 6.3-11.5 HE3 LYS 24 - HG2 LYS 19 far 0 48 0 - 6.5-14.6 HE2 LYS 36 - HG3 LYS 31 far 0 80 0 - 6.5-12.0 HE3 LYS 86 - HG2 LYS 19 far 0 47 0 - 6.8-34.9 HE2 LYS 26 - HG2 LYS 36 far 0 99 0 - 7.3-12.6 HE3 LYS 19 - HG3 LYS 31 far 0 80 0 - 7.7-28.1 HE2 LYS 24 - HG2 LYS 19 far 0 46 0 - 8.0-15.1 HE2 LYS 24 - HG3 LYS 31 far 0 79 0 - 8.1-23.8 HE2 LYS 31 - HG3 LYS 26 far 0 60 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 58 0 - 8.6-15.9 HE2 LYS 19 - HG3 LYS 31 far 0 80 0 - 8.6-26.5 HE3 LYS 26 - HG2 LYS 24 far 0 75 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 19 far 0 46 0 - 8.8-19.2 HE3 LYS 26 - HG2 LYS 36 far 0 99 0 - 8.9-13.8 HE2 LYS 26 - HG2 LYS 19 far 0 46 0 - 9.0-20.5 HE2 LYS 19 - HG3 LYS 26 far 0 60 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 76 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 85 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 100 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 76 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 76 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 60 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 60 0 - 9.8-15.3 HE3 LYS 24 - HG3 LYS 31 far 0 81 0 - 9.8-23.3 HE2 LYS 26 - HG2 LYS 24 far 0 75 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 58 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 75 0 - 10.0-22.2 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 9 assignments used, quality = 1.00: * H ILE 37 + HG2 LYS 36 OK 100 100 100 100 2.7-3.0 6406=100, 6407/1.8=90...(14) H SER 38 + HG2 LYS 36 OK 86 92 100 94 4.8-5.2 4.6/6406=63...(6) H LYS 36 + HG2 LYS 36 OK 60 60 100 100 3.6-3.9 5.0=100 H THR 18 + HG2 LYS 19 OK 43 46 100 93 3.0-4.2 6144/6151=74, 10683=35...(12) H LYS 36 - HG3 LYS 26 far 0 29 0 - 8.1-11.6 H THR 18 - HG3 LYS 31 far 0 79 0 - 8.4-27.3 H THR 18 - HG2 LYS 24 far 0 75 0 - 9.0-14.0 H LYS 36 - HG3 LYS 31 far 0 42 0 - 9.0-12.3 H ILE 37 - HG3 LYS 26 far 0 60 0 - 10.0-13.0 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 4 assignments used, quality = 1.00: * H LYS 36 + HG3 LYS 36 OK 100 100 100 100 4.6-4.7 6394/1.8=89, 6392/3.0=85...(48) H ILE 37 + HG3 LYS 36 OK 57 60 100 95 4.3-4.5 6407=40, 6406/1.8=39...(10) H SER 38 - HG3 LYS 36 far 0 93 0 - 6.2-6.6 H SER 94 - HG3 LYS 86 far 0 93 0 - 9.1-12.4 Violated in 0 structures by 0.00 A. Peak 1018 from cnoeabs.peaks (4.27, 1.47, 24.92 ppm; 4.41 A): 1 out of 10 assignments used, quality = 1.00: * HA LYS 36 + HG3 LYS 36 OK 100 100 100 100 3.4-3.5 4.1=100 HA PHE 87 - HG3 LYS 86 far 13 89 15 - 3.8-6.7 HA ALA 21 - HG3 LYS 86 far 0 83 0 - 6.2-30.7 HA ARG 84 - HG3 LYS 86 far 0 57 0 - 6.8-7.8 HA SER 74 - HG3 LYS 86 far 0 81 0 - 7.1-9.9 HA ALA 15 - HG3 LYS 86 far 0 89 0 - 7.6-41.1 HA THR 18 - HG3 LYS 86 far 0 79 0 - 8.5-34.5 HA LEU 22 - HG3 LYS 86 far 0 92 0 - 9.3-27.4 HA LYS 31 - HG3 LYS 36 far 0 100 0 - 9.3-10.6 HA LYS 19 - HG3 LYS 86 far 0 91 0 - 9.7-34.2 Violated in 0 structures by 0.00 A. Peak 1019 from cnoeabs.peaks (1.82, 1.47, 24.92 ppm; 4.16 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 LYS 86 + HG3 LYS 86 OK 69 69 100 100 2.9-3.0 3.0=100 HB2 CYS 79 - HG3 LYS 86 far 0 69 0 - 7.3-10.2 HB2 ARG 84 - HG3 LYS 86 far 0 91 0 - 7.4-9.3 HB ILE 32 - HG3 LYS 36 far 0 100 0 - 7.4-8.7 HB VAL 93 - HG3 LYS 86 far 0 88 0 - 7.9-10.7 HB3 LYS 19 - HG3 LYS 86 far 0 93 0 - 8.1-35.0 HB3 ARG 135 - HG3 LYS 86 far 0 94 0 - 9.0-12.1 HB3 ARG 23 - HG3 LYS 86 far 0 92 0 - 9.3-27.9 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 4 assignments used, quality = 1.00: * HB3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 ARG 90 - HG3 LYS 86 far 0 52 0 - 4.5-8.2 HB3 ARG 84 - HG3 LYS 86 far 0 73 0 - 8.3-9.6 HB2 ARG 135 - HG3 LYS 86 far 0 77 0 - 8.5-13.0 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 8 assignments used, quality = 1.00: * HG2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 29 - HG3 LYS 36 far 0 100 0 - 6.3-10.1 QB ALA 15 - HG3 LYS 86 far 0 94 0 - 6.9-33.2 HG3 LYS 31 - HG3 LYS 36 far 0 97 0 - 8.7-13.1 HG2 LYS 19 - HG3 LYS 86 far 0 81 0 - 8.9-35.4 QB ALA 12 - HG3 LYS 86 far 0 71 0 - 9.6-34.6 QB ALA 16 - HG3 LYS 86 far 0 64 0 - 9.9-34.9 HB2 LEU 42 - HG3 LYS 36 far 0 100 0 - 10.0-11.5 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 11 assignments used, quality = 1.00: HD3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.7-2.9 3.0=100 * HD2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.8-3.0 3.0=100 HD2 LYS 86 + HG3 LYS 86 OK 88 88 100 100 2.4-2.6 3.0=100 HD3 LYS 86 + HG3 LYS 86 OK 88 88 100 100 2.4-3.0 3.0=100 HD3 LYS 19 - HG3 LYS 86 far 0 71 0 - 6.8-37.6 QB ALA 88 - HG3 LYS 86 far 0 90 0 - 7.0-7.8 HD2 LYS 19 - HG3 LYS 86 far 0 71 0 - 8.0-37.5 HD3 LYS 26 - HG3 LYS 36 far 0 96 0 - 8.3-14.1 HD2 LYS 26 - HG3 LYS 36 far 0 97 0 - 8.6-12.6 HD3 LYS 31 - HG3 LYS 36 far 0 97 0 - 9.4-14.3 HD2 LYS 31 - HG3 LYS 36 far 0 98 0 - 9.5-14.0 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 11 assignments used, quality = 1.00: * HD3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.7-2.9 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.8-3.0 3.0=100 HD2 LYS 86 + HG3 LYS 86 OK 88 88 100 100 2.4-2.6 3.0=100 HD3 LYS 86 + HG3 LYS 86 OK 88 88 100 100 2.4-3.0 3.0=100 HD3 LYS 19 - HG3 LYS 86 far 0 71 0 - 6.8-37.6 QB ALA 88 - HG3 LYS 86 far 0 90 0 - 7.0-7.8 HD2 LYS 19 - HG3 LYS 86 far 0 71 0 - 8.0-37.5 HD3 LYS 26 - HG3 LYS 36 far 0 96 0 - 8.3-14.1 HD2 LYS 26 - HG3 LYS 36 far 0 97 0 - 8.6-12.6 HD3 LYS 31 - HG3 LYS 36 far 0 97 0 - 9.4-14.3 HD2 LYS 31 - HG3 LYS 36 far 0 98 0 - 9.5-14.0 Violated in 0 structures by 0.00 A. Peak 1025 from cnoeabs.peaks (2.96, 1.47, 24.92 ppm; 4.91 A): 3 out of 9 assignments used, quality = 1.00: * HE2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.0-3.5 4.0=100 HE3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.0-3.5 4.0=100 HE3 LYS 86 + HG3 LYS 86 OK 94 94 100 100 2.4-3.8 3.7=100 HE3 LYS 19 - HG3 LYS 86 far 5 92 5 - 5.3-38.4 HE2 LYS 19 - HG3 LYS 86 far 0 94 0 - 6.8-38.4 HE2 LYS 26 - HG3 LYS 36 far 0 97 0 - 7.1-13.4 HE3 LYS 26 - HG3 LYS 36 far 0 97 0 - 8.8-14.3 HE2 LYS 31 - HG3 LYS 36 far 0 99 0 - 8.9-14.6 HE3 LYS 31 - HG3 LYS 36 far 0 97 0 - 9.7-14.5 Violated in 0 structures by 0.00 A. Peak 1026 from cnoeabs.peaks (2.96, 1.47, 24.92 ppm; 4.92 A): 3 out of 9 assignments used, quality = 1.00: * HE3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.0-3.5 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.0-3.5 4.0=100 HE3 LYS 86 + HG3 LYS 86 OK 94 94 100 100 2.4-3.8 3.7=100 HE3 LYS 19 - HG3 LYS 86 far 5 94 5 - 5.3-38.4 HE2 LYS 19 - HG3 LYS 86 far 0 94 0 - 6.8-38.4 HE2 LYS 26 - HG3 LYS 36 far 0 99 0 - 7.1-13.4 HE3 LYS 26 - HG3 LYS 36 far 0 99 0 - 8.8-14.3 HE2 LYS 31 - HG3 LYS 36 far 0 100 0 - 8.9-14.6 HE3 LYS 31 - HG3 LYS 36 far 0 99 0 - 9.7-14.5 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 4 assignments used, quality = 1.00: * H ILE 37 + HG3 LYS 36 OK 100 100 100 100 4.3-4.5 6407=99, 6406/1.8=89...(10) H LYS 36 + HG3 LYS 36 OK 60 60 100 100 4.6-4.7 5.0=74, 4.4/6407=48...(49) H SER 38 - HG3 LYS 36 far 0 92 0 - 6.2-6.6 H SER 94 - HG3 LYS 86 far 0 62 0 - 9.1-12.4 Violated in 0 structures by 0.00 A. Peak 1028 from cnoeabs.peaks (8.00, 1.67, 28.90 ppm; 5.75 A): 5 out of 16 assignments used, quality = 1.00: * H LYS 36 + HD2 LYS 36 OK 100 100 100 100 3.6-3.9 6392/3.5=98, 6394/3.0=96...(58) H LYS 36 + HD3 LYS 36 OK 100 100 100 100 4.3-4.7 6392/3.5=98, 6394/3.0=96...(68) H SER 38 + HD3 LYS 36 OK 69 93 80 93 5.6-6.7 4.2/10912=75...(5) H ILE 37 + HD3 LYS 36 OK 60 60 100 100 3.1-4.3 4.0/10912=76, ~10817=51...(12) H ILE 37 + HD2 LYS 36 OK 60 60 100 99 3.6-4.3 ~10817=51, 6406/3.0=43...(12) H LYS 36 - HD2 LYS 26 far 9 92 10 - 5.6-9.3 H LYS 36 - HD3 LYS 26 far 4 87 5 - 6.0-10.6 H SER 38 - HD2 LYS 36 far 0 93 0 - 7.1-7.6 H THR 18 - HD3 LYS 31 far 0 64 0 - 7.1-26.5 H ILE 37 - HD2 LYS 26 far 0 50 0 - 7.5-11.1 H THR 18 - HD2 LYS 31 far 0 66 0 - 8.0-26.4 H ILE 37 - HD3 LYS 26 far 0 46 0 - 8.0-12.5 H LYS 36 - HD3 LYS 31 far 0 92 0 - 9.5-13.2 H LYS 36 - HD2 LYS 31 far 0 94 0 - 9.6-12.9 H THR 18 - HD2 LYS 24 far 0 66 0 - 9.9-15.1 H THR 18 - HD3 LYS 24 far 0 64 0 - 9.9-15.6 Violated in 0 structures by 0.00 A. Peak 1029 from cnoeabs.peaks (4.27, 1.67, 28.90 ppm; 4.42 A): 7 out of 55 assignments used, quality = 1.00: * HA LYS 36 + HD2 LYS 36 OK 100 100 100 100 4.6-4.6 5.3=59, 3.0/1031=40...(29) HA LYS 31 + HD2 LYS 31 OK 93 94 100 99 2.0-4.7 5.2=61, ~6332=32...(32) HA LYS 31 + HD3 LYS 31 OK 91 92 100 99 1.9-4.8 5.2=61, ~6332=32...(32) HA LYS 26 + HD3 LYS 26 OK 68 85 80 100 2.0-5.3 5.0=70, ~6253=37...(34) HA LYS 26 + HD2 LYS 26 OK 67 90 75 100 2.0-5.1 5.0=70, ~6253=37...(34) HA LEU 22 + HD2 LYS 24 OK 26 92 50 57 3.2-9.0 ~1309=12, 11967/3.0=10...(11) HA LEU 22 + HD3 LYS 24 OK 20 89 40 56 3.7-8.5 ~1309=12, 11967/3.0=10...(11) HA LYS 36 - HD3 LYS 36 far 15 100 15 - 4.9-5.2 HA LYS 31 - HD3 LYS 26 far 9 87 10 - 4.0-10.4 HA LYS 19 - HD3 LYS 31 far 4 89 5 - 4.2-24.3 HA ARG 23 - HD3 LYS 24 far 4 86 5 - 4.0-7.6 HA ALA 21 - HD3 LYS 24 far 4 80 5 - 5.0-11.3 HA THR 25 - HD2 LYS 26 far 4 78 5 - 4.9-6.7 HA ARG 23 - HD2 LYS 24 far 0 88 0 - 5.0-7.8 HA LYS 19 - HD2 LYS 31 far 0 91 0 - 5.1-24.1 HA LYS 31 - HD2 LYS 26 far 0 92 0 - 5.1-10.1 HA THR 25 - HD3 LYS 26 far 0 73 0 - 5.2-6.8 HA ALA 21 - HD2 LYS 24 far 0 82 0 - 5.2-10.9 HA ARG 23 - HD3 LYS 31 far 0 86 0 - 5.4-17.9 HA ARG 23 - HD2 LYS 31 far 0 88 0 - 5.5-19.1 HA THR 25 - HD3 LYS 24 far 0 78 0 - 5.8-7.0 HA LYS 36 - HD2 LYS 26 far 0 92 0 - 5.9-11.4 HA LYS 36 - HD3 LYS 26 far 0 87 0 - 6.0-12.7 HA ARG 23 - HD3 LYS 26 far 0 80 0 - 6.4-12.1 HA THR 25 - HD2 LYS 24 far 0 81 0 - 6.5-8.0 HA LYS 26 - HD2 LYS 31 far 0 92 0 - 6.5-14.6 HA LYS 19 - HD2 LYS 24 far 0 91 0 - 6.5-12.9 HA ALA 21 - HD3 LYS 31 far 0 80 0 - 6.6-23.8 HA LYS 19 - HD3 LYS 24 far 0 89 0 - 6.6-13.2 HA LYS 26 - HD3 LYS 24 far 0 90 0 - 6.8-10.5 HA ALA 16 - HD3 LYS 31 far 0 92 0 - 7.0-28.5 HA THR 18 - HD3 LYS 31 far 0 77 0 - 7.1-26.4 HA ALA 16 - HD2 LYS 31 far 0 94 0 - 7.3-28.5 HA LYS 31 - HD2 LYS 36 far 0 100 0 - 7.5-8.1 HA SER 74 - HD3 LYS 24 far 0 78 0 - 7.6-23.3 HA ALA 12 - HD2 LYS 31 far 0 89 0 - 7.7-38.2 HA LEU 22 - HD3 LYS 31 far 0 89 0 - 7.8-22.1 HA LYS 26 - HD3 LYS 31 far 0 90 0 - 7.8-13.5 HA LYS 26 - HD2 LYS 24 far 0 92 0 - 7.8-10.9 HA ARG 23 - HD2 LYS 26 far 0 86 0 - 7.9-11.1 HA ALA 21 - HD2 LYS 31 far 0 82 0 - 8.2-24.8 HA LEU 22 - HD2 LYS 26 far 0 89 0 - 8.4-15.7 HA SER 74 - HD2 LYS 24 far 0 81 0 - 8.4-24.9 HA ALA 12 - HD3 LYS 31 far 0 87 0 - 8.4-38.1 HA LEU 22 - HD3 LYS 26 far 0 84 0 - 8.5-15.5 HA LEU 22 - HD2 LYS 31 far 0 92 0 - 8.6-22.9 HA THR 18 - HD2 LYS 24 far 0 79 0 - 8.7-12.7 HA THR 18 - HD2 LYS 31 far 0 79 0 - 8.7-26.2 HA THR 25 - HD3 LYS 31 far 0 78 0 - 8.7-17.7 HA LYS 31 - HD3 LYS 36 far 0 100 0 - 9.1-9.5 HA THR 18 - HD3 LYS 24 far 0 77 0 - 9.1-13.3 HA THR 25 - HD2 LYS 31 far 0 81 0 - 9.2-17.6 HA ALA 15 - HD3 LYS 31 far 0 87 0 - 9.4-29.3 HA ARG 23 - HD2 LYS 36 far 0 97 0 - 9.5-19.6 HA LYS 19 - HD3 LYS 26 far 0 83 0 - 9.7-20.2 Violated in 0 structures by 0.00 A. Peak 1030 from cnoeabs.peaks (1.82, 1.67, 28.90 ppm; 4.10 A): 10 out of 46 assignments used, quality = 1.00: * HB2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-3.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 3.0-4.0 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.5-4.2 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 93 93 100 100 2.0-3.8 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 92 92 100 100 2.0-3.2 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.1-3.7 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 91 91 100 100 2.1-4.1 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 87 87 100 100 2.0-3.3 3.5=100 HB ILE 32 + HD2 LYS 26 OK 46 92 50 100 4.2-5.1 10833=37, 3.0/10763=35...(49) HB ILE 32 + HD3 LYS 26 OK 26 87 30 100 3.4-6.5 2.9/10767=41...(54) HB3 LYS 31 - HD3 LYS 26 far 9 86 10 - 3.5-10.7 HB3 LYS 19 - HD2 LYS 31 far 5 93 5 - 3.4-23.3 HB3 LYS 19 - HD3 LYS 31 far 5 91 5 - 3.0-23.2 HB3 ARG 23 - HD3 LYS 24 far 5 90 5 - 4.2-8.9 HB3 LYS 31 - HD2 LYS 26 far 0 91 0 - 4.7-11.2 HB3 ARG 23 - HD2 LYS 24 far 0 92 0 - 5.3-8.9 HB ILE 32 - HD2 LYS 36 far 0 100 0 - 5.9-6.8 HB3 LYS 26 - HD2 LYS 31 far 0 94 0 - 5.9-12.3 HB2 LYS 36 - HD3 LYS 26 far 0 87 0 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 26 far 0 85 0 - 6.3-14.3 HB2 LYS 36 - HD2 LYS 26 far 0 92 0 - 6.3-11.2 HB3 LYS 19 - HD3 LYS 24 far 0 91 0 - 6.4-14.8 HB ILE 32 - HD3 LYS 31 far 0 92 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 90 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 90 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 94 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 93 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 92 0 - 6.8-12.2 HB3 ARG 23 - HD2 LYS 31 far 0 92 0 - 7.3-22.1 HB ILE 32 - HD3 LYS 36 far 0 100 0 - 7.6-8.5 HB2 LYS 36 - HD3 LYS 31 far 0 92 0 - 8.1-12.5 HB2 LYS 36 - HD2 LYS 31 far 0 94 0 - 8.3-12.3 HB2 CYS 79 - HD2 LYS 24 far 0 69 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 66 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 86 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 26 far 0 91 0 - 8.8-11.0 HB3 LYS 31 - HD2 LYS 36 far 0 100 0 - 9.3-10.5 HB3 LYS 26 - HD3 LYS 24 far 0 92 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 86 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 91 0 - 9.5-19.2 HB3 LYS 26 - HD2 LYS 36 far 0 100 0 - 9.7-12.7 HB2 CYS 79 - HD3 LYS 36 far 0 78 0 - 9.8-11.3 HB2 CYS 79 - HD2 LYS 36 far 0 78 0 - 9.8-11.7 HB3 ARG 23 - HD2 LYS 36 far 0 99 0 - 9.9-20.6 HB2 CYS 79 - HD3 LYS 24 far 0 66 0 - 9.9-24.7 HB3 LYS 31 - HD2 LYS 24 far 0 93 0 - 10.0-22.7 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 6 assignments used, quality = 1.00: HB3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 3.3-4.0 3.5=94, 1064/3.0=19...(85) * HB3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-3.1 3.5=94, 1064/3.0=19...(74) HB3 LYS 36 - HD3 LYS 26 far 0 87 0 - 6.0-12.2 HB3 LYS 36 - HD2 LYS 26 far 0 92 0 - 6.5-10.6 HB3 LYS 36 - HD3 LYS 31 far 0 92 0 - 8.9-13.7 HB3 LYS 36 - HD2 LYS 31 far 0 94 0 - 8.9-13.1 Violated in 0 structures by 0.00 A. Peak 1032 from cnoeabs.peaks (1.38, 1.67, 28.90 ppm; 3.85 A): 8 out of 56 assignments used, quality = 1.00: HG2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-2.3 3.0=100 * HG2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.7-2.9 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 2.3-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.4-3.0 3.0=100 HG3 LYS 31 + HD2 LYS 31 OK 89 89 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 87 87 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 87 87 100 100 2.6-3.0 2.9=100 QB ALA 29 - HD2 LYS 26 poor 18 92 20 - 2.5-6.4 QB ALA 29 - HD3 LYS 26 far 13 87 15 - 2.3-7.8 HG3 LYS 31 - HD3 LYS 26 far 4 82 5 - 4.1-12.0 HG2 LYS 19 - HD3 LYS 31 far 4 78 5 - 3.6-23.8 QB ALA 16 - HD3 LYS 31 far 3 62 5 - 4.2-24.3 QB ALA 12 - HD2 LYS 31 far 0 71 0 - 4.5-32.1 QB ALA 16 - HD2 LYS 31 far 0 64 0 - 4.6-24.2 QB ALA 28 - HD3 LYS 26 far 0 86 0 - 4.7-8.5 HG2 LYS 19 - HD2 LYS 31 far 0 81 0 - 4.9-23.9 QB ALA 28 - HD2 LYS 26 far 0 91 0 - 4.9-7.9 QB ALA 12 - HD3 LYS 31 far 0 69 0 - 5.2-32.1 HG3 LYS 31 - HD2 LYS 26 far 0 87 0 - 5.4-12.2 QB ALA 29 - HD2 LYS 36 far 0 100 0 - 6.1-9.0 HG3 LYS 31 - HD2 LYS 36 far 0 97 0 - 6.6-10.5 HG3 LYS 26 - HD3 LYS 31 far 0 92 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 94 0 - 6.9-14.3 QB ALA 29 - HD3 LYS 36 far 0 100 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 94 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 92 0 - 7.5-10.1 HG2 LYS 19 - HD3 LYS 24 far 0 78 0 - 7.5-14.7 QB ALA 28 - HD3 LYS 31 far 0 91 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 91 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 97 0 - 7.9-11.7 QB ALA 28 - HD2 LYS 24 far 0 94 0 - 8.1-15.1 QB ALA 28 - HD2 LYS 31 far 0 94 0 - 8.2-10.3 HG2 LYS 19 - HD2 LYS 24 far 0 81 0 - 8.4-14.5 HG2 LYS 36 - HD3 LYS 26 far 0 87 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 92 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 81 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 87 0 - 8.6-22.7 QB ALA 16 - HD2 LYS 24 far 0 64 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 92 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 92 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 100 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 100 0 - 9.1-12.8 QB ALA 12 - HD3 LYS 36 far 0 81 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 92 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 92 0 - 9.2-24.7 HG2 LYS 24 - HD3 LYS 26 far 0 87 0 - 9.3-12.6 HG3 LYS 31 - HD2 LYS 24 far 0 89 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 94 0 - 9.5-22.2 QB ALA 15 - HD2 LYS 26 far 0 92 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 94 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 87 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 73 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 94 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 94 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 62 0 - 9.9-17.6 Violated in 0 structures by 0.00 A. Peak 1033 from cnoeabs.peaks (1.47, 1.67, 28.90 ppm; 3.28 A): 7 out of 29 assignments used, quality = 1.00: HG3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.7-2.9 3.0=100 * HG3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.8-3.0 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 2.3-3.0 3.0=100 HG2 LYS 31 + HD2 LYS 31 OK 62 62 100 100 2.4-3.0 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 60 60 100 100 2.2-3.0 2.9=100 HG13 ILE 32 + HD2 LYS 26 OK 33 52 65 96 2.3-5.4 ~10767=26, 2.9/10833=18...(34) HG13 ILE 32 - HD3 LYS 26 far 7 48 15 - 3.4-5.5 HG3 LYS 19 - HD3 LYS 31 far 3 64 5 - 3.5-23.9 HG2 LYS 31 - HD3 LYS 26 far 0 55 0 - 4.0-11.7 HG3 LYS 19 - HD2 LYS 31 far 0 66 0 - 4.2-23.7 HG2 LYS 31 - HD2 LYS 26 far 0 60 0 - 5.7-12.1 HG13 ILE 32 - HD2 LYS 31 far 0 54 0 - 6.0-8.4 HG13 ILE 32 - HD3 LYS 31 far 0 52 0 - 6.2-9.0 HG3 LYS 19 - HD3 LYS 24 far 0 64 0 - 7.6-15.9 HG2 LYS 31 - HD2 LYS 36 far 0 71 0 - 8.0-10.5 HG13 ILE 32 - HD2 LYS 36 far 0 63 0 - 8.1-8.6 HG3 LYS 36 - HD3 LYS 26 far 0 87 0 - 8.3-14.1 HG3 LYS 19 - HD2 LYS 24 far 0 66 0 - 8.4-15.6 HG3 LYS 36 - HD2 LYS 26 far 0 92 0 - 8.6-12.6 HG3 LYS 19 - HD3 LYS 26 far 0 59 0 - 9.0-20.4 HG2 LYS 31 - HD3 LYS 36 far 0 71 0 - 9.2-11.8 HG3 LYS 36 - HD3 LYS 31 far 0 92 0 - 9.4-14.3 HG3 LYS 19 - HD2 LYS 26 far 0 64 0 - 9.5-19.8 HG3 LYS 36 - HD2 LYS 31 far 0 94 0 - 9.5-14.0 HG LEU 42 - HD3 LYS 36 far 0 83 0 - 9.6-10.7 HG3 LYS 24 - HD3 LYS 31 far 0 69 0 - 9.8-22.2 HG13 ILE 32 - HD3 LYS 36 far 0 63 0 - 9.8-10.3 HG2 LYS 31 - HD2 LYS 24 far 0 62 0 - 10.0-23.6 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 48 assignments used, quality = 1.00: HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.5-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.3-3.0 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 HE2 LYS 26 + HD2 LYS 26 OK 87 87 100 100 2.2-2.9 3.0=100 HE3 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 2.3-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 82 82 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 82 82 100 100 2.3-3.0 3.0=100 HE3 LYS 19 - HD2 LYS 31 far 0 92 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 89 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 94 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 92 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 87 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 82 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 89 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 97 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 84 0 - 6.7-13.3 HE2 LYS 31 - HD2 LYS 36 far 0 99 0 - 6.8-12.2 HE2 LYS 36 - HD2 LYS 31 far 0 94 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 97 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 93 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 92 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 89 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 97 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 87 0 - 7.7-13.6 HE2 LYS 31 - HD3 LYS 36 far 0 99 0 - 8.1-13.3 HE2 LYS 26 - HD2 LYS 31 far 0 89 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 97 0 - 8.1-12.3 HE2 LYS 26 - HD3 LYS 31 far 0 87 0 - 8.2-14.6 HE3 LYS 36 - HD3 LYS 31 far 0 91 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 97 0 - 8.4-12.7 HE3 LYS 36 - HD2 LYS 26 far 0 91 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 97 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 92 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 87 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 92 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 89 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 86 0 - 9.4-14.9 HE3 LYS 19 - HD3 LYS 24 far 0 89 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 87 0 - 9.8-14.4 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 48 assignments used, quality = 1.00: * HE3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 94 94 100 100 2.3-3.0 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 2.3-3.0 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 2.2-2.9 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 90 90 100 100 2.3-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 90 90 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 85 85 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 85 85 100 100 2.3-3.0 3.0=100 HE3 LYS 19 - HD2 LYS 31 far 0 94 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 91 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 94 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 91 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 90 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 85 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 92 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 99 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 86 0 - 6.7-13.3 HE2 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.8-12.2 HE2 LYS 36 - HD2 LYS 31 far 0 93 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 99 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 94 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 91 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 91 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 99 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 90 0 - 7.7-13.6 HE2 LYS 31 - HD3 LYS 36 far 0 100 0 - 8.1-13.3 HE2 LYS 26 - HD2 LYS 31 far 0 92 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 99 0 - 8.1-12.3 HE2 LYS 26 - HD3 LYS 31 far 0 90 0 - 8.2-14.6 HE3 LYS 36 - HD3 LYS 31 far 0 92 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 99 0 - 8.4-12.7 HE3 LYS 36 - HD2 LYS 26 far 0 92 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 99 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 85 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 90 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 91 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 92 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 87 0 - 9.4-14.9 HE3 LYS 19 - HD3 LYS 24 far 0 91 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 86 0 - 9.8-14.4 Violated in 0 structures by 0.00 A. Peak 1038 from cnoeabs.peaks (7.97, 1.67, 28.90 ppm; 6.42 A): 5 out of 16 assignments used, quality = 1.00: H ILE 37 + HD3 LYS 36 OK 100 100 100 100 3.1-4.3 6406/3.0=99, 6404/3.5=99...(12) * H ILE 37 + HD2 LYS 36 OK 100 100 100 100 3.6-4.3 6406/3.0=99, 6404/3.5=99...(12) H SER 38 + HD3 LYS 36 OK 89 92 100 97 5.6-6.7 4.2/10912=85...(5) H LYS 36 + HD2 LYS 36 OK 60 60 100 100 3.6-3.9 6.1=100 H LYS 36 + HD3 LYS 36 OK 60 60 100 100 4.3-4.7 6.1=100 H LYS 36 - HD2 LYS 26 poor 10 50 20 - 5.6-9.3 H LYS 36 - HD3 LYS 26 poor 9 46 20 - 6.0-10.6 H SER 38 - HD2 LYS 36 far 0 92 0 - 7.1-7.6 H THR 18 - HD3 LYS 31 far 0 90 0 - 7.1-26.5 H ILE 37 - HD2 LYS 26 far 0 92 0 - 7.5-11.1 H THR 18 - HD2 LYS 31 far 0 92 0 - 8.0-26.4 H ILE 37 - HD3 LYS 26 far 0 87 0 - 8.0-12.5 H LYS 36 - HD3 LYS 31 far 0 50 0 - 9.5-13.2 H LYS 36 - HD2 LYS 31 far 0 52 0 - 9.6-12.9 H THR 18 - HD2 LYS 24 far 0 92 0 - 9.9-15.1 H THR 18 - HD3 LYS 24 far 0 90 0 - 9.9-15.6 Violated in 0 structures by 0.00 A. Peak 1039 from cnoeabs.peaks (8.00, 1.67, 28.90 ppm; 5.75 A): 5 out of 16 assignments used, quality = 1.00: H LYS 36 + HD2 LYS 36 OK 100 100 100 100 3.6-3.9 6392/3.5=98, 6394/3.0=96...(58) * H LYS 36 + HD3 LYS 36 OK 100 100 100 100 4.3-4.7 6392/3.5=98, 6394/3.0=96...(68) H SER 38 + HD3 LYS 36 OK 69 93 80 93 5.6-6.7 4.2/10912=75...(5) H ILE 37 + HD3 LYS 36 OK 60 60 100 100 3.1-4.3 4.0/10912=76, ~10817=51...(12) H ILE 37 + HD2 LYS 36 OK 60 60 100 99 3.6-4.3 ~10817=51, 6406/3.0=43...(12) H LYS 36 - HD2 LYS 26 far 9 92 10 - 5.6-9.3 H LYS 36 - HD3 LYS 26 far 4 87 5 - 6.0-10.6 H SER 38 - HD2 LYS 36 far 0 93 0 - 7.1-7.6 H THR 18 - HD3 LYS 31 far 0 64 0 - 7.1-26.5 H ILE 37 - HD2 LYS 26 far 0 50 0 - 7.5-11.1 H THR 18 - HD2 LYS 31 far 0 66 0 - 8.0-26.4 H ILE 37 - HD3 LYS 26 far 0 46 0 - 8.0-12.5 H LYS 36 - HD3 LYS 31 far 0 92 0 - 9.5-13.2 H LYS 36 - HD2 LYS 31 far 0 94 0 - 9.6-12.9 H THR 18 - HD2 LYS 24 far 0 66 0 - 9.9-15.1 H THR 18 - HD3 LYS 24 far 0 64 0 - 9.9-15.6 Violated in 0 structures by 0.00 A. Peak 1040 from cnoeabs.peaks (4.27, 1.67, 28.90 ppm; 4.42 A): 7 out of 55 assignments used, quality = 1.00: HA LYS 36 + HD2 LYS 36 OK 100 100 100 100 4.6-4.6 5.3=59, 3.0/1031=40...(29) HA LYS 31 + HD2 LYS 31 OK 93 94 100 99 2.0-4.7 5.2=61, ~6332=32...(32) HA LYS 31 + HD3 LYS 31 OK 91 92 100 99 1.9-4.8 5.2=61, ~6332=32...(32) HA LYS 26 + HD3 LYS 26 OK 68 85 80 100 2.0-5.3 5.0=70, ~6253=37...(34) HA LYS 26 + HD2 LYS 26 OK 67 90 75 100 2.0-5.1 5.0=70, ~6253=37...(34) HA LEU 22 + HD2 LYS 24 OK 26 92 50 57 3.2-9.0 ~1309=12, 11967/3.0=10...(11) HA LEU 22 + HD3 LYS 24 OK 20 89 40 56 3.7-8.5 ~1309=12, 11967/3.0=10...(11) ! HA LYS 36 - HD3 LYS 36 far 15 100 15 - 4.9-5.2 HA LYS 31 - HD3 LYS 26 far 9 87 10 - 4.0-10.4 HA LYS 19 - HD3 LYS 31 far 4 89 5 - 4.2-24.3 HA ARG 23 - HD3 LYS 24 far 4 86 5 - 4.0-7.6 HA ALA 21 - HD3 LYS 24 far 4 80 5 - 5.0-11.3 HA THR 25 - HD2 LYS 26 far 4 78 5 - 4.9-6.7 HA ARG 23 - HD2 LYS 24 far 0 88 0 - 5.0-7.8 HA LYS 19 - HD2 LYS 31 far 0 91 0 - 5.1-24.1 HA LYS 31 - HD2 LYS 26 far 0 92 0 - 5.1-10.1 HA THR 25 - HD3 LYS 26 far 0 73 0 - 5.2-6.8 HA ALA 21 - HD2 LYS 24 far 0 82 0 - 5.2-10.9 HA ARG 23 - HD3 LYS 31 far 0 86 0 - 5.4-17.9 HA ARG 23 - HD2 LYS 31 far 0 88 0 - 5.5-19.1 HA THR 25 - HD3 LYS 24 far 0 78 0 - 5.8-7.0 HA LYS 36 - HD2 LYS 26 far 0 92 0 - 5.9-11.4 HA LYS 36 - HD3 LYS 26 far 0 87 0 - 6.0-12.7 HA ARG 23 - HD3 LYS 26 far 0 80 0 - 6.4-12.1 HA THR 25 - HD2 LYS 24 far 0 81 0 - 6.5-8.0 HA LYS 26 - HD2 LYS 31 far 0 92 0 - 6.5-14.6 HA LYS 19 - HD2 LYS 24 far 0 91 0 - 6.5-12.9 HA ALA 21 - HD3 LYS 31 far 0 80 0 - 6.6-23.8 HA LYS 19 - HD3 LYS 24 far 0 89 0 - 6.6-13.2 HA LYS 26 - HD3 LYS 24 far 0 90 0 - 6.8-10.5 HA ALA 16 - HD3 LYS 31 far 0 92 0 - 7.0-28.5 HA THR 18 - HD3 LYS 31 far 0 77 0 - 7.1-26.4 HA ALA 16 - HD2 LYS 31 far 0 94 0 - 7.3-28.5 HA LYS 31 - HD2 LYS 36 far 0 100 0 - 7.5-8.1 HA SER 74 - HD3 LYS 24 far 0 78 0 - 7.6-23.3 HA ALA 12 - HD2 LYS 31 far 0 89 0 - 7.7-38.2 HA LEU 22 - HD3 LYS 31 far 0 89 0 - 7.8-22.1 HA LYS 26 - HD3 LYS 31 far 0 90 0 - 7.8-13.5 HA LYS 26 - HD2 LYS 24 far 0 92 0 - 7.8-10.9 HA ARG 23 - HD2 LYS 26 far 0 86 0 - 7.9-11.1 HA ALA 21 - HD2 LYS 31 far 0 82 0 - 8.2-24.8 HA LEU 22 - HD2 LYS 26 far 0 89 0 - 8.4-15.7 HA SER 74 - HD2 LYS 24 far 0 81 0 - 8.4-24.9 HA ALA 12 - HD3 LYS 31 far 0 87 0 - 8.4-38.1 HA LEU 22 - HD3 LYS 26 far 0 84 0 - 8.5-15.5 HA LEU 22 - HD2 LYS 31 far 0 92 0 - 8.6-22.9 HA THR 18 - HD2 LYS 24 far 0 79 0 - 8.7-12.7 HA THR 18 - HD2 LYS 31 far 0 79 0 - 8.7-26.2 HA THR 25 - HD3 LYS 31 far 0 78 0 - 8.7-17.7 HA LYS 31 - HD3 LYS 36 far 0 100 0 - 9.1-9.5 HA THR 18 - HD3 LYS 24 far 0 77 0 - 9.1-13.3 HA THR 25 - HD2 LYS 31 far 0 81 0 - 9.2-17.6 HA ALA 15 - HD3 LYS 31 far 0 87 0 - 9.4-29.3 HA ARG 23 - HD2 LYS 36 far 0 97 0 - 9.5-19.6 HA LYS 19 - HD3 LYS 26 far 0 83 0 - 9.7-20.2 Violated in 0 structures by 0.00 A. Peak 1041 from cnoeabs.peaks (1.82, 1.67, 28.90 ppm; 4.10 A): 10 out of 46 assignments used, quality = 1.00: HB2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-3.2 3.5=100 * HB2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 3.0-4.0 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.5-4.2 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 93 93 100 100 2.0-3.8 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 92 92 100 100 2.0-3.2 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.1-3.7 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 91 91 100 100 2.1-4.1 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 87 87 100 100 2.0-3.3 3.5=100 HB ILE 32 + HD2 LYS 26 OK 46 92 50 100 4.2-5.1 10833=37, 3.0/10763=35...(49) HB ILE 32 + HD3 LYS 26 OK 26 87 30 100 3.4-6.5 2.9/10767=41...(54) HB3 LYS 31 - HD3 LYS 26 far 9 86 10 - 3.5-10.7 HB3 LYS 19 - HD2 LYS 31 far 5 93 5 - 3.4-23.3 HB3 LYS 19 - HD3 LYS 31 far 5 91 5 - 3.0-23.2 HB3 ARG 23 - HD3 LYS 24 far 5 90 5 - 4.2-8.9 HB3 LYS 31 - HD2 LYS 26 far 0 91 0 - 4.7-11.2 HB3 ARG 23 - HD2 LYS 24 far 0 92 0 - 5.3-8.9 HB ILE 32 - HD2 LYS 36 far 0 100 0 - 5.9-6.8 HB3 LYS 26 - HD2 LYS 31 far 0 94 0 - 5.9-12.3 HB2 LYS 36 - HD3 LYS 26 far 0 87 0 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 26 far 0 85 0 - 6.3-14.3 HB2 LYS 36 - HD2 LYS 26 far 0 92 0 - 6.3-11.2 HB3 LYS 19 - HD3 LYS 24 far 0 91 0 - 6.4-14.8 HB ILE 32 - HD3 LYS 31 far 0 92 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 90 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 90 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 94 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 93 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 92 0 - 6.8-12.2 HB3 ARG 23 - HD2 LYS 31 far 0 92 0 - 7.3-22.1 HB ILE 32 - HD3 LYS 36 far 0 100 0 - 7.6-8.5 HB2 LYS 36 - HD3 LYS 31 far 0 92 0 - 8.1-12.5 HB2 LYS 36 - HD2 LYS 31 far 0 94 0 - 8.3-12.3 HB2 CYS 79 - HD2 LYS 24 far 0 69 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 66 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 86 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 26 far 0 91 0 - 8.8-11.0 HB3 LYS 31 - HD2 LYS 36 far 0 100 0 - 9.3-10.5 HB3 LYS 26 - HD3 LYS 24 far 0 92 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 86 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 91 0 - 9.5-19.2 HB3 LYS 26 - HD2 LYS 36 far 0 100 0 - 9.7-12.7 HB2 CYS 79 - HD3 LYS 36 far 0 78 0 - 9.8-11.3 HB2 CYS 79 - HD2 LYS 36 far 0 78 0 - 9.8-11.7 HB3 ARG 23 - HD2 LYS 36 far 0 99 0 - 9.9-20.6 HB2 CYS 79 - HD3 LYS 24 far 0 66 0 - 9.9-24.7 HB3 LYS 31 - HD2 LYS 24 far 0 93 0 - 10.0-22.7 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 6 assignments used, quality = 1.00: * HB3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 3.3-4.0 3.5=94, 1064/3.0=19...(85) HB3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-3.1 3.5=94, 1064/3.0=19...(74) HB3 LYS 36 - HD3 LYS 26 far 0 87 0 - 6.0-12.2 HB3 LYS 36 - HD2 LYS 26 far 0 92 0 - 6.5-10.6 HB3 LYS 36 - HD3 LYS 31 far 0 92 0 - 8.9-13.7 HB3 LYS 36 - HD2 LYS 31 far 0 94 0 - 8.9-13.1 Violated in 0 structures by 0.00 A. Peak 1043 from cnoeabs.peaks (1.38, 1.67, 28.90 ppm; 3.85 A): 8 out of 56 assignments used, quality = 1.00: * HG2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.7-2.9 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 2.3-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.4-3.0 3.0=100 HG3 LYS 31 + HD2 LYS 31 OK 89 89 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 87 87 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 87 87 100 100 2.6-3.0 2.9=100 QB ALA 29 - HD2 LYS 26 poor 18 92 20 - 2.5-6.4 QB ALA 29 - HD3 LYS 26 far 13 87 15 - 2.3-7.8 HG3 LYS 31 - HD3 LYS 26 far 4 82 5 - 4.1-12.0 HG2 LYS 19 - HD3 LYS 31 far 4 78 5 - 3.6-23.8 QB ALA 16 - HD3 LYS 31 far 3 62 5 - 4.2-24.3 QB ALA 12 - HD2 LYS 31 far 0 71 0 - 4.5-32.1 QB ALA 16 - HD2 LYS 31 far 0 64 0 - 4.6-24.2 QB ALA 28 - HD3 LYS 26 far 0 86 0 - 4.7-8.5 HG2 LYS 19 - HD2 LYS 31 far 0 81 0 - 4.9-23.9 QB ALA 28 - HD2 LYS 26 far 0 91 0 - 4.9-7.9 QB ALA 12 - HD3 LYS 31 far 0 69 0 - 5.2-32.1 HG3 LYS 31 - HD2 LYS 26 far 0 87 0 - 5.4-12.2 QB ALA 29 - HD2 LYS 36 far 0 100 0 - 6.1-9.0 HG3 LYS 31 - HD2 LYS 36 far 0 97 0 - 6.6-10.5 HG3 LYS 26 - HD3 LYS 31 far 0 92 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 94 0 - 6.9-14.3 QB ALA 29 - HD3 LYS 36 far 0 100 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 94 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 92 0 - 7.5-10.1 HG2 LYS 19 - HD3 LYS 24 far 0 78 0 - 7.5-14.7 QB ALA 28 - HD3 LYS 31 far 0 91 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 91 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 97 0 - 7.9-11.7 QB ALA 28 - HD2 LYS 24 far 0 94 0 - 8.1-15.1 QB ALA 28 - HD2 LYS 31 far 0 94 0 - 8.2-10.3 HG2 LYS 19 - HD2 LYS 24 far 0 81 0 - 8.4-14.5 HG2 LYS 36 - HD3 LYS 26 far 0 87 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 92 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 81 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 87 0 - 8.6-22.7 QB ALA 16 - HD2 LYS 24 far 0 64 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 92 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 92 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 100 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 100 0 - 9.1-12.8 QB ALA 12 - HD3 LYS 36 far 0 81 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 92 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 92 0 - 9.2-24.7 HG2 LYS 24 - HD3 LYS 26 far 0 87 0 - 9.3-12.6 HG3 LYS 31 - HD2 LYS 24 far 0 89 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 94 0 - 9.5-22.2 QB ALA 15 - HD2 LYS 26 far 0 92 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 94 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 87 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 73 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 94 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 94 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 62 0 - 9.9-17.6 Violated in 0 structures by 0.00 A. Peak 1044 from cnoeabs.peaks (1.47, 1.67, 28.90 ppm; 3.28 A): 7 out of 29 assignments used, quality = 1.00: * HG3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.7-2.9 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.8-3.0 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 2.3-3.0 3.0=100 HG2 LYS 31 + HD2 LYS 31 OK 62 62 100 100 2.4-3.0 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 60 60 100 100 2.2-3.0 2.9=100 HG13 ILE 32 + HD2 LYS 26 OK 33 52 65 96 2.3-5.4 ~10767=26, 2.9/10833=18...(34) HG13 ILE 32 - HD3 LYS 26 far 7 48 15 - 3.4-5.5 HG3 LYS 19 - HD3 LYS 31 far 3 64 5 - 3.5-23.9 HG2 LYS 31 - HD3 LYS 26 far 0 55 0 - 4.0-11.7 HG3 LYS 19 - HD2 LYS 31 far 0 66 0 - 4.2-23.7 HG2 LYS 31 - HD2 LYS 26 far 0 60 0 - 5.7-12.1 HG13 ILE 32 - HD2 LYS 31 far 0 54 0 - 6.0-8.4 HG13 ILE 32 - HD3 LYS 31 far 0 52 0 - 6.2-9.0 HG3 LYS 19 - HD3 LYS 24 far 0 64 0 - 7.6-15.9 HG2 LYS 31 - HD2 LYS 36 far 0 71 0 - 8.0-10.5 HG13 ILE 32 - HD2 LYS 36 far 0 63 0 - 8.1-8.6 HG3 LYS 36 - HD3 LYS 26 far 0 87 0 - 8.3-14.1 HG3 LYS 19 - HD2 LYS 24 far 0 66 0 - 8.4-15.6 HG3 LYS 36 - HD2 LYS 26 far 0 92 0 - 8.6-12.6 HG3 LYS 19 - HD3 LYS 26 far 0 59 0 - 9.0-20.4 HG2 LYS 31 - HD3 LYS 36 far 0 71 0 - 9.2-11.8 HG3 LYS 36 - HD3 LYS 31 far 0 92 0 - 9.4-14.3 HG3 LYS 19 - HD2 LYS 26 far 0 64 0 - 9.5-19.8 HG3 LYS 36 - HD2 LYS 31 far 0 94 0 - 9.5-14.0 HG LEU 42 - HD3 LYS 36 far 0 83 0 - 9.6-10.7 HG3 LYS 24 - HD3 LYS 31 far 0 69 0 - 9.8-22.2 HG13 ILE 32 - HD3 LYS 36 far 0 63 0 - 9.8-10.3 HG2 LYS 31 - HD2 LYS 24 far 0 62 0 - 10.0-23.6 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 48 assignments used, quality = 1.00: * HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.5-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.3-3.0 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 HE2 LYS 26 + HD2 LYS 26 OK 87 87 100 100 2.2-2.9 3.0=100 HE3 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 2.3-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 82 82 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 82 82 100 100 2.3-3.0 3.0=100 HE3 LYS 19 - HD2 LYS 31 far 0 92 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 89 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 94 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 92 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 87 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 82 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 89 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 97 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 84 0 - 6.7-13.3 HE2 LYS 31 - HD2 LYS 36 far 0 99 0 - 6.8-12.2 HE2 LYS 36 - HD2 LYS 31 far 0 94 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 97 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 93 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 92 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 89 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 97 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 87 0 - 7.7-13.6 HE2 LYS 31 - HD3 LYS 36 far 0 99 0 - 8.1-13.3 HE2 LYS 26 - HD2 LYS 31 far 0 89 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 97 0 - 8.1-12.3 HE2 LYS 26 - HD3 LYS 31 far 0 87 0 - 8.2-14.6 HE3 LYS 36 - HD3 LYS 31 far 0 91 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 97 0 - 8.4-12.7 HE3 LYS 36 - HD2 LYS 26 far 0 91 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 97 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 92 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 87 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 92 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 89 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 86 0 - 9.4-14.9 HE3 LYS 19 - HD3 LYS 24 far 0 89 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 87 0 - 9.8-14.4 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 48 assignments used, quality = 1.00: HE3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 * HE3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 94 94 100 100 2.3-3.0 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 2.3-3.0 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 2.2-2.9 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 90 90 100 100 2.3-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 90 90 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 85 85 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 85 85 100 100 2.3-3.0 3.0=100 HE3 LYS 19 - HD2 LYS 31 far 0 94 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 91 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 94 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 91 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 90 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 85 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 92 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 99 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 86 0 - 6.7-13.3 HE2 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.8-12.2 HE2 LYS 36 - HD2 LYS 31 far 0 93 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 99 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 94 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 91 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 91 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 99 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 90 0 - 7.7-13.6 HE2 LYS 31 - HD3 LYS 36 far 0 100 0 - 8.1-13.3 HE2 LYS 26 - HD2 LYS 31 far 0 92 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 99 0 - 8.1-12.3 HE2 LYS 26 - HD3 LYS 31 far 0 90 0 - 8.2-14.6 HE3 LYS 36 - HD3 LYS 31 far 0 92 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 99 0 - 8.4-12.7 HE3 LYS 36 - HD2 LYS 26 far 0 92 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 99 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 85 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 90 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 91 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 92 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 87 0 - 9.4-14.9 HE3 LYS 19 - HD3 LYS 24 far 0 91 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 86 0 - 9.8-14.4 Violated in 0 structures by 0.00 A. Peak 1049 from cnoeabs.peaks (7.97, 1.67, 28.90 ppm; 6.42 A): 5 out of 16 assignments used, quality = 1.00: * H ILE 37 + HD3 LYS 36 OK 100 100 100 100 3.1-4.3 6406/3.0=99, 6404/3.5=99...(12) H ILE 37 + HD2 LYS 36 OK 100 100 100 100 3.6-4.3 6406/3.0=99, 6404/3.5=99...(12) H SER 38 + HD3 LYS 36 OK 89 92 100 97 5.6-6.7 4.2/10912=85...(5) H LYS 36 + HD2 LYS 36 OK 60 60 100 100 3.6-3.9 6.1=100 H LYS 36 + HD3 LYS 36 OK 60 60 100 100 4.3-4.7 6.1=100 H LYS 36 - HD2 LYS 26 poor 10 50 20 - 5.6-9.3 H LYS 36 - HD3 LYS 26 poor 9 46 20 - 6.0-10.6 H SER 38 - HD2 LYS 36 far 0 92 0 - 7.1-7.6 H THR 18 - HD3 LYS 31 far 0 90 0 - 7.1-26.5 H ILE 37 - HD2 LYS 26 far 0 92 0 - 7.5-11.1 H THR 18 - HD2 LYS 31 far 0 92 0 - 8.0-26.4 H ILE 37 - HD3 LYS 26 far 0 87 0 - 8.0-12.5 H LYS 36 - HD3 LYS 31 far 0 50 0 - 9.5-13.2 H LYS 36 - HD2 LYS 31 far 0 52 0 - 9.6-12.9 H THR 18 - HD2 LYS 24 far 0 92 0 - 9.9-15.1 H THR 18 - HD3 LYS 24 far 0 90 0 - 9.9-15.6 Violated in 0 structures by 0.00 A. Peak 1051 from cnoeabs.peaks (4.27, 2.96, 41.80 ppm; 6.80 A): 17 out of 93 assignments used, quality = 1.00: * HA LYS 36 + HE2 LYS 36 OK 100 100 100 100 5.2-6.5 6.0=100 HA LYS 36 + HE3 LYS 36 OK 99 99 100 100 5.0-6.5 6.0=100 HA LYS 19 + HE2 LYS 19 OK 99 99 100 100 5.1-6.2 6.4=100 HA LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.1-5.2 6.5=100 HA PHE 87 + HE3 LYS 86 OK 97 97 100 100 4.1-7.3 4.9/2704=90...(10) HA LYS 19 + HE3 LYS 19 OK 94 94 100 100 4.9-6.3 6.4=100 HA LYS 31 + HE3 LYS 31 OK 92 92 100 100 2.0-5.9 6.5=100 HA LYS 26 + HE3 LYS 26 OK 90 90 100 100 3.0-6.3 6.6=100 HA LYS 26 + HE2 LYS 26 OK 90 90 100 100 3.7-6.4 6.6=100 HA THR 25 + HE3 LYS 26 OK 78 78 100 99 3.5-5.7 11150/3.6=85, 9587=70...(7) HA THR 25 + HE2 LYS 26 OK 78 78 100 99 4.4-6.6 11150/3.6=85...(7) HA LEU 22 + HE3 LYS 24 OK 59 98 95 64 3.2-7.5 11967/4.0=25...(8) HA LEU 22 + HE2 LYS 24 OK 57 99 95 61 2.6-9.0 11967/4.0=25...(8) HA THR 18 + HE2 LYS 19 OK 48 89 55 98 5.5-8.1 ~10696=74, ~10692=71...(7) HA ARG 23 + HE3 LYS 24 OK 47 95 60 82 4.4-8.2 424/7.4=62, 833/4.0=14...(15) HA ARG 23 + HE2 LYS 24 OK 43 96 55 82 5.3-8.2 424/7.4=62, 833/4.0=14...(15) HA THR 18 + HE3 LYS 19 OK 40 83 50 98 5.2-8.0 ~10696=74, ~10692=71...(7) HA THR 25 - HE2 LYS 24 poor 18 90 20 - 6.4-9.3 HA LYS 31 - HE2 LYS 26 far 14 92 15 - 6.4-11.5 HA THR 25 - HE3 LYS 24 far 13 89 15 - 6.6-9.1 HA ARG 23 - HE3 LYS 26 far 13 86 15 - 5.5-9.8 HA ARG 23 - HE2 LYS 26 far 13 86 15 - 6.5-11.3 HA LYS 19 - HE2 LYS 24 far 10 98 10 - 5.8-13.5 HA LYS 19 - HE3 LYS 24 far 10 97 10 - 5.0-13.6 HA ARG 84 - HE3 LYS 86 far 10 65 15 - 6.6-8.1 HA LYS 31 - HE3 LYS 26 far 9 92 10 - 6.8-12.3 HA THR 18 - HE3 LYS 24 far 9 87 10 - 6.6-13.8 HA ALA 16 - HE3 LYS 19 lone 6 97 50 11 2.8-10.3 7131/7.3=2, 11966/10705=2 HA ALA 16 - HE2 LYS 19 lone 5 100 45 11 2.4-9.8 11966/10705=2, 7131/7.3=2 HA ALA 12 - HE2 LYS 19 far 5 97 5 - 6.0-22.2 HA ALA 16 - HE2 LYS 31 far 5 97 5 - 6.9-30.4 HA LYS 19 - HE2 LYS 31 far 5 94 5 - 7.1-26.6 HA ALA 12 - HE3 LYS 19 far 5 93 5 - 6.5-22.7 HA ALA 12 - HE2 LYS 31 far 5 93 5 - 7.0-40.4 HA PHE 87 - HE3 LYS 19 far 5 93 5 - 7.2-42.2 HA LYS 36 - HE2 LYS 26 far 5 92 5 - 4.3-11.5 HA LYS 36 - HE3 LYS 26 far 5 92 5 - 5.8-13.1 HA ARG 23 - HE2 LYS 31 far 5 92 5 - 5.0-20.1 HA ALA 21 - HE3 LYS 86 far 5 91 5 - 6.1-29.7 HA SER 74 - HE2 LYS 19 far 5 90 5 - 5.8-36.2 HA LEU 22 - HE3 LYS 26 far 4 89 5 - 6.5-14.0 HA LEU 22 - HE2 LYS 26 far 4 89 5 - 6.9-15.6 HA LYS 19 - HE3 LYS 31 far 4 89 5 - 6.3-26.2 HA ALA 12 - HE3 LYS 31 far 4 87 5 - 6.1-40.4 HA ARG 23 - HE3 LYS 31 far 4 86 5 - 5.8-19.4 HA SER 74 - HE3 LYS 19 far 4 85 5 - 5.2-36.6 HA ALA 21 - HE3 LYS 31 far 4 80 5 - 7.2-25.5 HA ALA 21 - HE2 LYS 24 lone 1 91 40 4 4.2-11.2 HA ALA 21 - HE3 LYS 24 lone 1 90 35 4 3.4-10.6 HA ALA 15 - HE2 LYS 19 lone 1 97 35 3 3.3-12.8 HA ALA 15 - HE3 LYS 19 lone 1 93 30 3 4.2-13.5 HA LYS 31 - HE3 LYS 36 far 0 99 0 - 7.4-9.6 HA LYS 26 - HE3 LYS 31 far 0 90 0 - 7.5-15.0 HA SER 74 - HE3 LYS 86 far 0 90 0 - 7.5-9.7 HA THR 18 - HE2 LYS 24 far 0 88 0 - 7.6-15.0 HA LYS 31 - HE2 LYS 36 far 0 100 0 - 7.6-9.8 HA ALA 21 - HE3 LYS 19 far 0 86 0 - 7.6-10.3 HA LEU 22 - HE3 LYS 86 far 0 99 0 - 7.9-26.6 HA THR 18 - HE3 LYS 86 far 0 88 0 - 7.9-33.5 HA ALA 12 - HE3 LYS 86 far 0 97 0 - 8.1-39.4 HA THR 18 - HE3 LYS 26 far 0 77 0 - 8.2-19.3 HA LYS 26 - HE2 LYS 31 far 0 96 0 - 8.2-15.4 HA ALA 21 - HE2 LYS 31 far 0 86 0 - 8.2-26.1 HA THR 18 - HE3 LYS 31 far 0 77 0 - 8.3-28.4 HA ALA 16 - HE3 LYS 31 far 0 92 0 - 8.4-30.7 HA ALA 21 - HE3 LYS 26 far 0 80 0 - 8.4-15.9 HA ALA 15 - HE3 LYS 86 far 0 97 0 - 8.5-39.8 HA PHE 87 - HE2 LYS 19 far 0 97 0 - 8.5-42.1 HA LYS 26 - HE3 LYS 24 far 0 98 0 - 8.6-11.9 HA ALA 21 - HE2 LYS 19 far 0 92 0 - 8.7-10.4 HA LYS 31 - HE3 LYS 19 far 0 97 0 - 8.7-28.4 HA THR 25 - HE2 LYS 19 far 0 90 0 - 8.8-18.5 HA THR 25 - HE3 LYS 19 far 0 85 0 - 8.8-18.9 HA THR 18 - HE2 LYS 26 far 0 77 0 - 9.0-20.9 HA ALA 21 - HE2 LYS 26 far 0 80 0 - 9.0-17.3 HA ALA 15 - HE2 LYS 31 far 0 93 0 - 9.0-31.5 HA LEU 22 - HE3 LYS 31 far 0 89 0 - 9.0-24.6 HA ARG 23 - HE3 LYS 19 far 0 92 0 - 9.0-13.3 HA LEU 22 - HE2 LYS 31 far 0 95 0 - 9.1-24.1 HA ARG 23 - HE2 LYS 19 far 0 96 0 - 9.2-14.1 HA LYS 26 - HE2 LYS 24 far 0 99 0 - 9.3-11.8 HA LYS 19 - HE3 LYS 86 far 0 98 0 - 9.3-33.7 HA ALA 16 - HE3 LYS 86 far 0 100 0 - 9.5-38.9 HA LEU 22 - HE3 LYS 19 far 0 95 0 - 9.5-13.0 HA LYS 19 - HE3 LYS 26 far 0 89 0 - 9.6-19.2 HA SER 74 - HE3 LYS 24 far 0 89 0 - 9.6-24.1 HA LYS 26 - HE2 LYS 19 far 0 99 0 - 9.6-18.3 HA ARG 84 - HE3 LYS 19 far 0 60 0 - 9.7-44.8 HA THR 18 - HE2 LYS 31 far 0 83 0 - 9.7-28.5 HA LEU 22 - HE2 LYS 19 far 0 99 0 - 9.9-12.7 HA SER 74 - HE3 LYS 26 far 0 78 0 - 9.9-17.7 HA ARG 84 - HE2 LYS 19 far 0 65 0 - 9.9-44.9 HA LYS 31 - HE2 LYS 19 far 0 100 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 1052 from cnoeabs.peaks (1.82, 2.96, 41.80 ppm; 6.11 A): 13 out of 63 assignments used, quality = 1.00: * HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.5-4.5 4.9=100 HB3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-5.0 5.1=100 HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 3.3-5.4 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.8-4.2 4.9=100 HB3 LYS 24 + HE3 LYS 24 OK 99 99 100 100 2.4-4.6 5.1=100 HB3 LYS 31 + HE2 LYS 31 OK 96 96 100 100 2.0-5.3 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 3.2-5.4 5.1=100 HB ILE 32 + HE2 LYS 26 OK 92 92 100 100 4.9-6.6 2.1/10766=78, 10825=70...(43) HB3 LYS 26 + HE2 LYS 26 OK 92 92 100 100 3.6-5.0 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 92 92 100 100 3.7-4.6 4.8=100 HB3 LYS 31 + HE3 LYS 31 OK 91 91 100 100 2.2-5.0 4.8=100 HB2 LYS 86 + HE3 LYS 86 OK 78 78 100 100 1.8-3.6 4.9=100 HB ILE 32 + HE3 LYS 26 OK 28 92 30 100 4.6-7.5 ~10766=73, ~10840=73...(55) HB3 ARG 23 - HE2 LYS 24 poor 20 99 20 - 4.7-9.9 HB3 ARG 23 - HE3 LYS 24 poor 20 98 20 - 6.1-9.9 HB3 LYS 31 - HE3 LYS 26 far 9 91 10 - 6.0-13.3 HB3 LYS 31 - HE2 LYS 26 far 9 91 10 - 6.3-12.4 HB3 ARG 23 - HE2 LYS 26 far 9 90 10 - 4.6-12.5 HB3 LYS 19 - HE3 LYS 24 far 5 99 5 - 5.6-14.9 HB ILE 32 - HE2 LYS 31 far 5 97 5 - 6.3-10.3 HB3 LYS 19 - HE2 LYS 31 far 5 96 5 - 5.6-25.7 HB3 ARG 23 - HE2 LYS 31 far 5 96 5 - 6.2-23.1 HB2 LYS 36 - HE2 LYS 26 far 5 92 5 - 5.4-11.8 HB3 LYS 26 - HE3 LYS 31 far 5 92 5 - 6.5-14.0 HB3 LYS 19 - HE3 LYS 31 far 5 91 5 - 4.9-25.2 HB3 ARG 23 - HE3 LYS 26 far 5 90 5 - 3.7-11.8 HB3 ARG 23 - HE3 LYS 31 far 5 90 5 - 6.4-22.1 HB3 LYS 19 - HE2 LYS 24 far 0 99 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 97 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 78 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 98 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 99 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 99 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 92 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 72 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 92 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 92 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 91 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 100 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 96 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 91 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 97 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 91 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 96 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 72 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 78 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 91 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 92 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 96 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 66 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 99 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 97 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 99 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 96 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 99 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 66 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 100 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 78 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 76 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 1053 from cnoeabs.peaks (1.88, 2.96, 41.80 ppm; 5.47 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.2-4.8 4.9=100 HB3 LYS 36 + HE3 LYS 36 OK 99 99 100 100 3.1-4.7 4.9=100 HB2 ARG 90 - HE3 LYS 86 poor 9 60 70 21 4.6-8.5 11200/9660=13, 2.9/558=4 HB3 LYS 36 - HE2 LYS 26 far 5 92 5 - 5.0-10.9 HB2 ARG 90 - HE3 LYS 19 far 3 55 5 - 5.2-41.4 HB2 ARG 90 - HE2 LYS 19 far 0 60 0 - 6.4-41.3 HB3 LYS 36 - HE3 LYS 26 far 0 92 0 - 6.7-12.5 HB3 ARG 84 - HE3 LYS 86 far 0 82 0 - 8.0-10.2 HB3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.5-14.0 HB3 LYS 36 - HE3 LYS 31 far 0 92 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 1054 from cnoeabs.peaks (1.38, 2.96, 41.80 ppm; 5.35 A): 11 out of 72 assignments used, quality = 1.00: * HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.1-4.1 4.0=100 HG2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.1-4.1 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 3.1-4.2 4.0=100 HG2 LYS 24 + HE3 LYS 24 OK 99 99 100 100 2.0-4.2 4.0=100 HG3 LYS 31 + HE2 LYS 31 OK 93 93 100 100 2.1-4.2 3.7=100 HG3 LYS 26 + HE3 LYS 26 OK 92 92 100 100 2.0-3.4 3.6=100 HG3 LYS 26 + HE2 LYS 26 OK 92 92 100 100 2.3-3.8 3.6=100 HG2 LYS 19 + HE2 LYS 19 OK 90 90 100 100 2.8-3.7 3.8=100 HG3 LYS 31 + HE3 LYS 31 OK 87 87 100 100 2.0-4.0 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 85 85 100 100 2.1-4.1 3.8=100 QB ALA 29 + HE2 LYS 26 OK 27 92 40 74 3.3-7.6 10739/9008=41...(13) QB ALA 29 - HE3 LYS 26 poor 18 92 20 - 4.1-8.3 QB ALA 12 - HE2 LYS 31 far 7 75 10 - 4.1-33.9 QB ALA 15 - HE3 LYS 86 far 5 100 5 - 5.8-32.2 QB ALA 28 - HE2 LYS 26 far 5 91 5 - 5.9-9.5 HG2 LYS 19 - HE3 LYS 31 far 4 78 5 - 4.6-26.0 QB ALA 12 - HE3 LYS 31 far 3 69 5 - 3.6-33.9 QB ALA 16 - HE2 LYS 31 far 3 68 5 - 3.9-25.9 QB ALA 16 - HE3 LYS 31 far 3 62 5 - 5.2-26.1 QB ALA 16 - HE2 LYS 19 lone 2 73 45 6 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 2 68 40 6 2.7-9.0 QB ALA 15 - HE2 LYS 19 lone 1 100 40 2 3.9-11.9 QB ALA 15 - HE3 LYS 19 lone 0 97 25 2 4.1-12.5 HG3 LYS 31 - HE2 LYS 26 far 0 87 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 85 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 87 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 91 0 - 6.1-9.5 HG3 LYS 31 - HE3 LYS 36 far 0 96 0 - 6.3-11.5 QB ALA 12 - HE2 LYS 19 far 0 80 0 - 6.4-19.1 QB ALA 12 - HE3 LYS 19 far 0 75 0 - 6.5-19.6 HG2 LYS 19 - HE3 LYS 24 far 0 89 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 97 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 90 0 - 6.8-34.9 QB ALA 29 - HE3 LYS 36 far 0 99 0 - 6.9-10.3 QB ALA 29 - HE2 LYS 36 far 0 100 0 - 7.1-9.7 HG2 LYS 36 - HE2 LYS 26 far 0 92 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 97 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 92 0 - 7.5-22.4 QB ALA 29 - HE3 LYS 31 far 0 92 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 93 0 - 7.7-28.1 QB ALA 28 - HE2 LYS 31 far 0 97 0 - 7.8-11.0 QB ALA 28 - HE3 LYS 24 far 0 99 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 90 0 - 8.0-15.1 QB ALA 28 - HE3 LYS 31 far 0 91 0 - 8.0-11.2 QB ALA 12 - HE3 LYS 86 far 0 80 0 - 8.1-32.9 HG3 LYS 31 - HE2 LYS 24 far 0 97 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 97 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 92 0 - 8.3-23.7 HG3 LYS 26 - HE3 LYS 31 far 0 92 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 97 0 - 8.6-26.5 HG2 LYS 24 - HE3 LYS 26 far 0 92 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 78 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 100 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 92 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 78 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.1-20.4 QB ALA 16 - HE2 LYS 24 far 0 73 0 - 9.1-18.0 QB ALA 15 - HE2 LYS 31 far 0 97 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 97 0 - 9.3-15.5 QB ALA 12 - HE2 LYS 36 far 0 81 0 - 9.4-36.4 QB ALA 16 - HE3 LYS 86 far 0 73 0 - 9.6-34.1 HG2 LYS 36 - HE2 LYS 31 far 0 97 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 97 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.7-15.4 QB ALA 12 - HE3 LYS 36 far 0 79 0 - 9.7-37.6 HG3 LYS 26 - HE3 LYS 19 far 0 97 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 99 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 96 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 92 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 99 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 100 0 - 9.9-12.6 HG2 LYS 24 - HE3 LYS 31 far 0 92 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 1055 from cnoeabs.peaks (1.47, 2.96, 41.80 ppm; 5.86 A): 11 out of 40 assignments used, quality = 1.00: * HG3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.0-3.5 4.0=100 HG3 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.0-3.5 4.0=100 HG3 LYS 86 + HE3 LYS 86 OK 98 98 100 100 2.4-3.8 3.7=100 HG3 LYS 24 + HE2 LYS 24 OK 80 80 100 100 2.3-4.0 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 79 79 100 100 2.3-3.9 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 76 76 100 100 2.1-3.9 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 70 70 100 100 2.2-3.7 3.8=100 HG2 LYS 31 + HE2 LYS 31 OK 65 65 100 100 2.1-4.0 3.7=100 HG2 LYS 31 + HE3 LYS 31 OK 60 60 100 100 2.0-4.2 3.7=100 HG13 ILE 32 + HE2 LYS 26 OK 42 52 80 100 3.5-6.7 3.2/10766=74, ~10767=68...(47) HG13 ILE 32 + HE3 LYS 26 OK 34 52 65 100 4.5-7.4 ~10767=68, ~10766=60...(59) HG2 LYS 31 - HE3 LYS 26 far 6 60 10 - 5.9-14.3 HG3 LYS 86 - HE3 LYS 19 far 5 94 5 - 5.3-38.4 HG3 LYS 19 - HE3 LYS 86 far 4 75 5 - 5.8-35.8 HG3 LYS 19 - HE2 LYS 31 far 4 70 5 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 31 far 3 64 5 - 4.4-25.7 HG2 LYS 31 - HE2 LYS 26 far 0 60 0 - 6.5-13.4 HG13 ILE 32 - HE2 LYS 31 far 0 58 0 - 6.7-10.1 HG3 LYS 86 - HE2 LYS 19 far 0 99 0 - 6.8-38.4 HG13 ILE 32 - HE3 LYS 31 far 0 52 0 - 6.9-10.1 HG3 LYS 19 - HE3 LYS 24 far 0 74 0 - 7.0-15.8 HG3 LYS 36 - HE2 LYS 26 far 0 92 0 - 7.1-13.4 HG3 LYS 19 - HE3 LYS 26 far 0 64 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 69 0 - 7.4-12.4 HG3 LYS 19 - HE2 LYS 26 far 0 64 0 - 7.6-21.0 HG2 LYS 31 - HE3 LYS 19 far 0 65 0 - 7.7-26.4 HG2 LYS 31 - HE2 LYS 36 far 0 71 0 - 8.0-11.8 HG2 LYS 31 - HE2 LYS 19 far 0 71 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 75 0 - 8.4-15.9 HG3 LYS 24 - HE3 LYS 19 far 0 75 0 - 8.6-17.0 HG3 LYS 36 - HE3 LYS 26 far 0 92 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 70 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 61 0 - 9.0-11.0 HG3 LYS 24 - HE2 LYS 19 far 0 80 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 69 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 63 0 - 9.4-11.1 HG3 LYS 24 - HE2 LYS 26 far 0 69 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 92 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 80 0 - 9.8-26.1 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 70 assignments used, quality = 1.00: HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.5-3.0 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 2.3-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.8-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 94 94 100 100 2.3-3.0 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 + HE2 LYS 26 OK 87 87 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 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 2.3-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 84 84 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 75 75 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 75 75 100 100 2.2-3.0 2.9=100 HD3 LYS 86 - HE3 LYS 19 far 5 92 5 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 5 92 5 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 94 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 93 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 96 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 87 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 84 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 88 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 92 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 96 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 90 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 69 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 97 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 69 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 75 0 - 7.2-28.2 HD2 LYS 31 - HE2 LYS 36 far 0 98 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 92 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 97 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 98 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 93 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 92 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 87 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 75 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 88 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 92 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 80 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 87 0 - 8.2-14.6 HD2 LYS 19 - HE3 LYS 24 far 0 79 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 92 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 80 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 79 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 92 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 87 0 - 9.1-12.4 HD2 LYS 26 - HE2 LYS 36 far 0 97 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 88 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 94 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 80 0 - 9.5-16.9 HD3 LYS 24 - HE3 LYS 19 far 0 93 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 96 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 69 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 69 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 80 0 - 9.9-17.4 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 70 assignments used, quality = 1.00: * HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.5-3.0 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 2.3-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.8-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 94 94 100 100 2.3-3.0 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 + HE2 LYS 26 OK 87 87 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 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 2.3-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 84 84 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 75 75 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 75 75 100 100 2.2-3.0 2.9=100 HD3 LYS 86 - HE3 LYS 19 far 5 92 5 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 5 92 5 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 94 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 93 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 96 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 87 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 84 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 88 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 92 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 96 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 90 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 69 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 97 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 69 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 75 0 - 7.2-28.2 HD2 LYS 31 - HE2 LYS 36 far 0 98 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 92 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 97 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 98 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 93 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 92 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 87 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 75 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 88 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 92 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 80 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 87 0 - 8.2-14.6 HD2 LYS 19 - HE3 LYS 24 far 0 79 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 92 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 80 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 79 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 92 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 87 0 - 9.1-12.4 HD2 LYS 26 - HE2 LYS 36 far 0 97 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 88 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 94 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 80 0 - 9.5-16.9 HD3 LYS 24 - HE3 LYS 19 far 0 93 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 96 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 69 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 69 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 80 0 - 9.9-17.4 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): 13 out of 93 assignments used, quality = 1.00: HA LYS 31 + HE2 LYS 31 OK 99 100 100 99 2.1-5.2 6.5=64, 822/3.7=37...(27) HA LYS 31 + HE3 LYS 31 OK 97 98 100 99 2.0-5.9 6.5=64, 822/3.7=37...(27) HA LYS 19 + HE2 LYS 19 OK 92 98 95 99 5.1-6.2 6.4=66, 271/3.8=31...(35) HA LYS 26 + HE3 LYS 26 OK 90 97 95 98 3.0-6.3 6.6=60, 282/3.6=31...(22) HA LYS 19 + HE3 LYS 19 OK 87 98 90 99 4.9-6.3 6.4=66, 271/3.8=31...(35) HA THR 25 + HE3 LYS 26 OK 84 86 100 98 3.5-5.7 11150/3.6=75, 9587=70...(7) * HA LYS 36 + HE3 LYS 36 OK 80 100 80 100 5.0-6.5 6.0=81, 3.0/1064=44...(23) HA LYS 26 + HE2 LYS 26 OK 67 97 70 98 3.7-6.4 6.6=60, 282/3.6=31...(23) HA PHE 87 + HE3 LYS 86 OK 65 97 70 96 4.1-7.3 4.9/2704=70...(10) HA THR 25 + HE2 LYS 26 OK 50 86 60 97 4.4-6.6 11150/3.6=75...(7) HA LYS 36 + HE2 LYS 36 OK 50 99 50 100 5.2-6.5 6.0=81, 3.0/1064=43...(23) HA LEU 22 + HE3 LYS 24 OK 36 99 70 52 3.2-7.5 11967/4.0=16...(8) HA LEU 22 + HE2 LYS 24 OK 33 96 70 49 2.6-9.0 11967/4.0=16, 282/4.0=10...(8) HA THR 18 - HE3 LYS 19 poor 19 88 25 89 5.2-8.0 ~10696=52, ~10692=49...(7) HA ALA 15 - HE2 LYS 19 poor 19 97 20 - 3.3-12.8 HA ARG 23 - HE2 LYS 24 poor 19 93 20 - 5.3-8.2 HA ALA 15 - HE3 LYS 19 far 14 97 15 - 4.2-13.5 HA ARG 23 - HE3 LYS 26 far 14 93 15 - 5.5-9.8 HA THR 18 - HE2 LYS 19 far 9 88 10 - 5.5-8.1 HA LYS 19 - HE3 LYS 24 far 5 99 5 - 5.0-13.6 HA LYS 36 - HE2 LYS 26 far 5 98 5 - 4.3-11.5 HA LYS 36 - HE3 LYS 26 far 5 98 5 - 5.8-13.1 HA ARG 23 - HE3 LYS 24 far 5 97 5 - 4.4-8.2 HA ALA 12 - HE2 LYS 19 far 5 97 5 - 6.0-22.2 HA ARG 23 - HE2 LYS 31 far 5 96 5 - 5.0-20.1 HA LYS 19 - HE2 LYS 24 far 5 96 5 - 5.8-13.5 HA ALA 12 - HE3 LYS 31 far 5 94 5 - 6.1-40.4 HA ARG 23 - HE3 LYS 31 far 5 93 5 - 5.8-19.4 HA ALA 21 - HE3 LYS 86 far 5 91 5 - 6.1-29.7 HA SER 74 - HE3 LYS 19 far 4 89 5 - 5.2-36.6 HA SER 74 - HE2 LYS 19 far 4 89 5 - 5.8-36.2 HA ALA 16 - HE3 LYS 19 lone 4 100 45 8 2.8-10.3 7131/7.3=1, 11966/10705=1 HA ALA 16 - HE2 LYS 19 lone 3 100 40 8 2.4-9.8 11966/10705=2, 7131/7.3=1 HA ALA 21 - HE3 LYS 24 lone 1 92 25 2 3.4-10.6 HA ALA 21 - HE2 LYS 24 lone 1 88 25 2 4.2-11.2 HA LYS 19 - HE3 LYS 31 far 0 96 0 - 6.3-26.2 HA LYS 31 - HE2 LYS 26 far 0 98 0 - 6.4-11.5 HA THR 25 - HE2 LYS 24 far 0 86 0 - 6.4-9.3 HA LEU 22 - HE3 LYS 26 far 0 96 0 - 6.5-14.0 HA ARG 23 - HE2 LYS 26 far 0 93 0 - 6.5-11.3 HA ALA 12 - HE3 LYS 19 far 0 97 0 - 6.5-22.7 HA ARG 84 - HE3 LYS 86 far 0 65 0 - 6.6-8.1 HA THR 25 - HE3 LYS 24 far 0 90 0 - 6.6-9.1 HA THR 18 - HE3 LYS 24 far 0 89 0 - 6.6-13.8 HA LYS 31 - HE3 LYS 26 far 0 98 0 - 6.8-12.3 HA ALA 16 - HE2 LYS 31 far 0 100 0 - 6.9-30.4 HA LEU 22 - HE2 LYS 26 far 0 96 0 - 6.9-15.6 HA ALA 12 - HE2 LYS 31 far 0 97 0 - 7.0-40.4 HA LYS 19 - HE2 LYS 31 far 0 98 0 - 7.1-26.6 HA ALA 21 - HE3 LYS 31 far 0 88 0 - 7.2-25.5 HA PHE 87 - HE3 LYS 19 far 0 97 0 - 7.2-42.2 HA LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-9.6 HA LYS 26 - HE3 LYS 31 far 0 97 0 - 7.5-15.0 HA SER 74 - HE3 LYS 86 far 0 90 0 - 7.5-9.7 HA THR 18 - HE2 LYS 24 far 0 84 0 - 7.6-15.0 HA LYS 31 - HE2 LYS 36 far 0 99 0 - 7.6-9.8 HA ALA 21 - HE3 LYS 19 far 0 91 0 - 7.6-10.3 HA LEU 22 - HE3 LYS 86 far 0 99 0 - 7.9-26.6 HA THR 18 - HE3 LYS 86 far 0 88 0 - 7.9-33.5 HA ALA 12 - HE3 LYS 86 far 0 97 0 - 8.1-39.4 HA THR 18 - HE3 LYS 26 far 0 84 0 - 8.2-19.3 HA LYS 26 - HE2 LYS 31 far 0 99 0 - 8.2-15.4 HA ALA 21 - HE2 LYS 31 far 0 91 0 - 8.2-26.1 HA THR 18 - HE3 LYS 31 far 0 84 0 - 8.3-28.4 HA ALA 16 - HE3 LYS 31 far 0 98 0 - 8.4-30.7 HA ALA 21 - HE3 LYS 26 far 0 88 0 - 8.4-15.9 HA ALA 15 - HE3 LYS 86 far 0 97 0 - 8.5-39.8 HA PHE 87 - HE2 LYS 19 far 0 97 0 - 8.5-42.1 HA LYS 26 - HE3 LYS 24 far 0 99 0 - 8.6-11.9 HA ALA 21 - HE2 LYS 19 far 0 91 0 - 8.7-10.4 HA LYS 31 - HE3 LYS 19 far 0 100 0 - 8.7-28.4 HA THR 25 - HE2 LYS 19 far 0 89 0 - 8.8-18.5 HA THR 25 - HE3 LYS 19 far 0 89 0 - 8.8-18.9 HA THR 18 - HE2 LYS 26 far 0 84 0 - 9.0-20.9 HA ALA 21 - HE2 LYS 26 far 0 88 0 - 9.0-17.3 HA ALA 15 - HE2 LYS 31 far 0 97 0 - 9.0-31.5 HA LEU 22 - HE3 LYS 31 far 0 96 0 - 9.0-24.6 HA ARG 23 - HE3 LYS 19 far 0 96 0 - 9.0-13.3 HA LEU 22 - HE2 LYS 31 far 0 98 0 - 9.1-24.1 HA ARG 23 - HE2 LYS 19 far 0 96 0 - 9.2-14.1 HA LYS 26 - HE2 LYS 24 far 0 97 0 - 9.3-11.8 HA LYS 19 - HE3 LYS 86 far 0 98 0 - 9.3-33.7 HA ALA 16 - HE3 LYS 86 far 0 100 0 - 9.5-38.9 HA LEU 22 - HE3 LYS 19 far 0 98 0 - 9.5-13.0 HA LYS 19 - HE3 LYS 26 far 0 96 0 - 9.6-19.2 HA SER 74 - HE3 LYS 24 far 0 90 0 - 9.6-24.1 HA LYS 26 - HE2 LYS 19 far 0 99 0 - 9.6-18.3 HA ARG 84 - HE3 LYS 19 far 0 64 0 - 9.7-44.8 HA THR 18 - HE2 LYS 31 far 0 88 0 - 9.7-28.5 HA LEU 22 - HE2 LYS 19 far 0 98 0 - 9.9-12.7 HA SER 74 - HE3 LYS 26 far 0 86 0 - 9.9-17.7 HA ARG 84 - HE2 LYS 19 far 0 64 0 - 9.9-44.9 HA LYS 31 - HE2 LYS 19 far 0 100 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 1063 from cnoeabs.peaks (1.82, 2.96, 41.80 ppm; 5.25 A): 12 out of 63 assignments used, quality = 1.00: * HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.8-4.2 4.9=100 HB3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.4-4.6 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 99 99 100 100 3.5-4.5 4.9=100 HB3 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.0-5.3 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 99 99 100 100 3.2-5.4 5.1=100 HB3 LYS 19 + HE2 LYS 19 OK 99 99 100 100 3.3-5.4 5.1=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 3.6-5.0 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 3.7-4.6 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.0 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 97 97 100 100 2.2-5.0 4.8=100 HB ILE 32 + HE2 LYS 26 OK 78 98 80 100 4.9-6.6 2.1/10766=77...(43) HB2 LYS 86 + HE3 LYS 86 OK 78 78 100 100 1.8-3.6 4.9=100 HB3 ARG 23 - HE2 LYS 26 far 10 97 10 - 4.6-12.5 HB3 LYS 19 - HE3 LYS 24 far 5 100 5 - 5.6-14.9 HB3 LYS 19 - HE2 LYS 31 far 5 99 5 - 5.6-25.7 HB ILE 32 - HE3 LYS 26 far 5 98 5 - 4.6-7.5 HB2 LYS 36 - HE2 LYS 26 far 5 98 5 - 5.4-11.8 HB3 LYS 19 - HE3 LYS 31 far 5 97 5 - 4.9-25.2 HB3 ARG 23 - HE3 LYS 26 far 5 97 5 - 3.7-11.8 HB3 ARG 23 - HE2 LYS 24 far 5 97 5 - 4.7-9.9 HB3 LYS 31 - HE3 LYS 26 far 0 97 0 - 6.0-13.3 HB3 ARG 23 - HE3 LYS 24 far 0 99 0 - 6.1-9.9 HB3 ARG 23 - HE2 LYS 31 far 0 99 0 - 6.2-23.1 HB ILE 32 - HE2 LYS 31 far 0 100 0 - 6.3-10.3 HB3 LYS 31 - HE2 LYS 26 far 0 97 0 - 6.3-12.4 HB3 ARG 23 - HE3 LYS 31 far 0 97 0 - 6.4-22.1 HB3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-14.0 HB3 LYS 19 - HE2 LYS 24 far 0 97 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 78 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 98 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 100 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 99 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 98 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 77 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 98 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 96 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 97 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 99 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 96 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 98 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 97 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 99 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 99 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 77 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 77 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 98 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 98 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 96 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 74 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 99 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 100 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 100 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 99 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 97 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 74 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 99 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 100 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 77 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 78 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 1064 from cnoeabs.peaks (1.88, 2.96, 41.80 ppm; 4.45 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 36 + HE3 LYS 36 OK 99 100 100 99 3.1-4.7 4.9=73, 1031/3.0=40...(67) HB3 LYS 36 + HE2 LYS 36 OK 99 99 100 100 3.2-4.8 4.9=73, 1042/3.0=40...(67) HB2 ARG 90 - HE3 LYS 86 far 6 60 10 - 4.6-8.5 HB3 LYS 36 - HE2 LYS 26 far 5 98 5 - 5.0-10.9 HB2 ARG 90 - HE3 LYS 19 far 0 59 0 - 5.2-41.4 HB2 ARG 90 - HE2 LYS 19 far 0 59 0 - 6.4-41.3 HB3 LYS 36 - HE3 LYS 26 far 0 98 0 - 6.7-12.5 HB3 ARG 84 - HE3 LYS 86 far 0 82 0 - 8.0-10.2 HB3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.5-14.0 HB3 LYS 36 - HE3 LYS 31 far 0 98 0 - 9.4-12.9 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 72 assignments used, quality = 1.00: HG2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.0-4.2 4.0=100 * HG2 LYS 36 + HE3 LYS 36 OK 99 100 100 99 3.1-4.2 4.0=99 HG2 LYS 36 + HE2 LYS 36 OK 99 99 100 99 3.1-4.1 4.0=99 HG3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.0-3.4 3.6=100 HG2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.1-4.1 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.3-3.8 3.6=100 HG3 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.1-4.2 3.7=100 HG3 LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.0-4.0 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 89 89 100 100 2.1-4.1 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 89 89 100 100 2.8-3.7 3.8=100 QB ALA 15 - HE2 LYS 19 far 15 100 15 - 3.9-11.9 QB ALA 15 - HE3 LYS 19 far 15 100 15 - 4.1-12.5 QB ALA 29 - HE2 LYS 26 far 10 98 10 - 3.3-7.6 QB ALA 29 - HE3 LYS 26 far 10 98 10 - 4.1-8.3 QB ALA 12 - HE2 LYS 31 far 4 80 5 - 4.1-33.9 QB ALA 12 - HE3 LYS 31 far 4 76 5 - 3.6-33.9 QB ALA 16 - HE2 LYS 31 far 4 72 5 - 3.9-25.9 QB ALA 16 - HE2 LYS 19 lone 1 72 35 3 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 1 72 30 3 2.7-9.0 HG2 LYS 19 - HE3 LYS 31 far 0 86 0 - 4.6-26.0 QB ALA 16 - HE3 LYS 31 far 0 69 0 - 5.2-26.1 QB ALA 15 - HE3 LYS 86 far 0 100 0 - 5.8-32.2 QB ALA 28 - HE2 LYS 26 far 0 98 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 94 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 89 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 98 0 - 6.1-9.5 HG3 LYS 31 - HE3 LYS 36 far 0 97 0 - 6.3-11.5 QB ALA 12 - HE2 LYS 19 far 0 80 0 - 6.4-19.1 QB ALA 12 - HE3 LYS 19 far 0 80 0 - 6.5-19.6 HG2 LYS 19 - HE3 LYS 24 far 0 90 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 96 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 90 0 - 6.8-34.9 QB ALA 29 - HE3 LYS 36 far 0 100 0 - 6.9-10.3 QB ALA 29 - HE2 LYS 36 far 0 99 0 - 7.1-9.7 HG2 LYS 36 - HE2 LYS 26 far 0 98 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 100 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 98 0 - 7.5-22.4 QB ALA 29 - HE3 LYS 31 far 0 98 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.7-28.1 QB ALA 28 - HE2 LYS 31 far 0 100 0 - 7.8-11.0 QB ALA 28 - HE3 LYS 24 far 0 100 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 86 0 - 8.0-15.1 QB ALA 28 - HE3 LYS 31 far 0 98 0 - 8.0-11.2 QB ALA 12 - HE3 LYS 86 far 0 80 0 - 8.1-32.9 HG3 LYS 31 - HE2 LYS 24 far 0 94 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 100 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 98 0 - 8.3-23.7 HG3 LYS 26 - HE3 LYS 31 far 0 98 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 97 0 - 8.6-26.5 HG2 LYS 24 - HE3 LYS 26 far 0 98 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 86 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 98 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 98 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 86 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.1-20.4 QB ALA 16 - HE2 LYS 24 far 0 69 0 - 9.1-18.0 QB ALA 15 - HE2 LYS 31 far 0 100 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.3-15.5 QB ALA 12 - HE2 LYS 36 far 0 79 0 - 9.4-36.4 QB ALA 16 - HE3 LYS 86 far 0 73 0 - 9.6-34.1 HG2 LYS 36 - HE2 LYS 31 far 0 100 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 100 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.7-15.4 QB ALA 12 - HE3 LYS 36 far 0 81 0 - 9.7-37.6 HG3 LYS 26 - HE3 LYS 19 far 0 100 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 97 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 98 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 100 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 98 0 - 9.9-12.6 HG2 LYS 24 - HE3 LYS 31 far 0 98 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 1066 from cnoeabs.peaks (1.47, 2.96, 41.80 ppm; 4.25 A): 10 out of 40 assignments used, quality = 1.00: * HG3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-3.5 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.0-3.5 4.0=100 HG3 LYS 86 + HE3 LYS 86 OK 98 98 100 100 2.4-3.8 3.7=100 HG3 LYS 24 + HE3 LYS 24 OK 81 81 100 100 2.3-3.9 4.0=100 HG3 LYS 24 + HE2 LYS 24 OK 76 76 100 100 2.3-4.0 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 75 75 100 100 2.1-3.9 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 75 75 100 100 2.2-3.7 3.8=100 HG2 LYS 31 + HE2 LYS 31 OK 70 70 100 100 2.1-4.0 3.7=100 HG2 LYS 31 + HE3 LYS 31 OK 67 67 100 100 2.0-4.2 3.7=100 HG13 ILE 32 + HE2 LYS 26 OK 20 59 35 99 3.5-6.7 3.2/10766=51, ~10767=37...(38) HG3 LYS 19 - HE3 LYS 31 far 4 72 5 - 4.4-25.7 HG13 ILE 32 - HE3 LYS 26 far 3 59 5 - 4.5-7.4 HG3 LYS 86 - HE3 LYS 19 far 0 98 0 - 5.3-38.4 HG3 LYS 19 - HE2 LYS 31 far 0 75 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 75 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 67 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 67 0 - 6.5-13.4 HG13 ILE 32 - HE2 LYS 31 far 0 62 0 - 6.7-10.1 HG3 LYS 86 - HE2 LYS 19 far 0 98 0 - 6.8-38.4 HG13 ILE 32 - HE3 LYS 31 far 0 59 0 - 6.9-10.1 HG3 LYS 19 - HE3 LYS 24 far 0 76 0 - 7.0-15.8 HG3 LYS 36 - HE2 LYS 26 far 0 98 0 - 7.1-13.4 HG3 LYS 19 - HE3 LYS 26 far 0 72 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 71 0 - 7.4-12.4 HG3 LYS 19 - HE2 LYS 26 far 0 72 0 - 7.6-21.0 HG2 LYS 31 - HE3 LYS 19 far 0 70 0 - 7.7-26.4 HG2 LYS 31 - HE2 LYS 36 far 0 69 0 - 8.0-11.8 HG2 LYS 31 - HE2 LYS 19 far 0 70 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 72 0 - 8.4-15.9 HG3 LYS 24 - HE3 LYS 19 far 0 80 0 - 8.6-17.0 HG3 LYS 36 - HE3 LYS 26 far 0 98 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 67 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 63 0 - 9.0-11.0 HG3 LYS 24 - HE2 LYS 19 far 0 80 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 76 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 61 0 - 9.4-11.1 HG3 LYS 24 - HE2 LYS 26 far 0 76 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 98 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 80 0 - 9.8-26.1 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 70 assignments used, quality = 1.00: * HD2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.4-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.3-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.3-3.0 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 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.8-3.0 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 + HE2 LYS 26 OK 94 94 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 92 92 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 92 92 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 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 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.3-3.0 2.9=100 HD3 LYS 86 - HE3 LYS 19 far 0 96 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 96 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 97 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 97 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 96 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 92 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 95 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 98 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 96 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 95 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 76 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 76 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 80 0 - 7.2-28.2 HD2 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 98 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 98 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 96 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 97 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 98 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 94 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 80 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 95 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 98 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 80 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 94 0 - 8.2-14.6 HD2 LYS 19 - HE3 LYS 24 far 0 81 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 98 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 80 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 81 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 97 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 98 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 94 0 - 9.1-12.4 HD2 LYS 26 - HE2 LYS 36 far 0 96 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 95 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 96 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 76 0 - 9.5-16.9 HD3 LYS 24 - HE3 LYS 19 far 0 97 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 94 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 76 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 76 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 76 0 - 9.9-17.4 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 70 assignments used, quality = 1.00: HD2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.4-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.3-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.3-3.0 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 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.8-3.0 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 + HE2 LYS 26 OK 94 94 100 100 2.2-2.9 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 92 92 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 92 92 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 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 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.3-3.0 2.9=100 HD3 LYS 86 - HE3 LYS 19 far 0 96 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 96 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 97 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 97 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 96 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 92 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 95 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 98 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 96 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 95 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 76 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 76 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 80 0 - 7.2-28.2 HD2 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 98 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 98 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 96 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 97 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 98 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 94 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 80 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 95 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 98 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 80 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 94 0 - 8.2-14.6 HD2 LYS 19 - HE3 LYS 24 far 0 81 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 98 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 80 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 81 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 97 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 98 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 94 0 - 9.1-12.4 HD2 LYS 26 - HE2 LYS 36 far 0 96 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 95 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 96 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 76 0 - 9.5-16.9 HD3 LYS 24 - HE3 LYS 19 far 0 97 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 94 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 76 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 76 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 76 0 - 9.9-17.4 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): 2 out of 3 assignments used, quality = 1.00: * H ILE 37 + HA ILE 37 OK 100 100 100 100 2.7-2.9 2.9=100 H SER 38 + HA ILE 37 OK 92 92 100 100 2.2-2.4 3.6=99, 6423/1089=47...(17) H LYS 36 - HA ILE 37 far 0 60 0 - 4.8-4.9 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 1 assignment used, quality = 1.00: * HB ILE 37 + HA ILE 37 OK 100 100 100 100 3.0-3.0 3.0=100 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 1 assignment used, quality = 1.00: * QG2 ILE 37 + HA ILE 37 OK 100 100 100 100 2.1-2.3 3.2=100 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 2.7-3.4 4.0=100 HB3 LEU 43 - HA ILE 37 far 0 99 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 1077 from cnoeabs.peaks (1.56, 4.02, 61.28 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 37 + HA ILE 37 OK 100 100 100 100 2.9-4.0 4.0=100 HB3 LEU 42 - HA ILE 37 far 4 89 5 - 4.8-5.9 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 3 assignments used, quality = 1.00: * QD1 ILE 37 + HA ILE 37 OK 100 100 100 100 2.2-3.9 1113=100, 1094/1089=74...(28) QD2 LEU 43 - HA ILE 37 far 0 73 0 - 8.8-10.1 QD1 ILE 32 - HA ILE 37 far 0 100 0 - 9.6-10.4 Violated in 1 structures by 0.01 A. Peak 1079 from cnoeabs.peaks (7.98, 4.02, 61.28 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: * H SER 38 + HA ILE 37 OK 100 100 100 100 2.2-2.4 3.6=100 H ILE 37 + HA ILE 37 OK 92 92 100 100 2.7-2.9 2.9=100 H LYS 36 - HA ILE 37 far 0 93 0 - 4.8-4.9 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 3 assignments used, quality = 1.00: * H ILE 37 + HB ILE 37 OK 100 100 100 100 2.7-3.0 6413=100, 6414/2.1=60...(23) H SER 38 + HB ILE 37 OK 91 92 100 99 3.2-3.7 6422=70, 6423/2.1=56...(18) H LYS 36 - HB ILE 37 far 0 60 0 - 4.4-4.9 Violated in 0 structures by 0.00 A. Peak 1081 from cnoeabs.peaks (4.02, 1.97, 38.06 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 37 + HB ILE 37 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 SER 38 - HB ILE 37 far 0 99 0 - 5.4-6.2 HD3 PRO 81 - HB ILE 37 far 0 89 0 - 7.5-9.1 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 1 assignment used, quality = 1.00: * QG2 ILE 37 + HB ILE 37 OK 100 100 100 100 2.1-2.1 2.1=100 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 2.4-2.7 2.9=100 HB3 LEU 43 - HB ILE 37 far 0 99 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 1085 from cnoeabs.peaks (1.56, 1.97, 38.06 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 37 + HB ILE 37 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LEU 42 - HB ILE 37 far 0 89 0 - 4.8-5.3 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 4 assignments used, quality = 1.00: * QD1 ILE 37 + HB ILE 37 OK 100 100 100 100 2.1-3.2 3.2=100 QD2 LEU 43 - HB ILE 37 far 0 73 0 - 8.3-10.0 QD1 ILE 32 - HB ILE 37 far 0 100 0 - 8.8-9.5 QG1 VAL 93 - HB ILE 37 far 0 60 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 1087 from cnoeabs.peaks (7.98, 1.97, 38.06 ppm; 3.82 A): 2 out of 3 assignments used, quality = 1.00: * H SER 38 + HB ILE 37 OK 100 100 100 100 3.2-3.7 6422=100, 6423/2.1=74...(18) H ILE 37 + HB ILE 37 OK 92 92 100 100 2.7-3.0 3.8=98, 6414/2.1=62...(24) H LYS 36 - HB ILE 37 far 0 93 0 - 4.4-4.9 Violated in 0 structures by 0.00 A. Peak 1088 from cnoeabs.peaks (7.97, 0.94, 17.33 ppm; 3.47 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 37 + QG2 ILE 37 OK 100 100 100 100 3.6-3.8 6413/2.1=78, 6414=78...(23) H SER 38 + QG2 ILE 37 OK 92 92 100 100 1.9-2.4 6423=76, 3.6/1089=53...(21) H LYS 36 - QG2 ILE 37 far 0 60 0 - 5.4-5.5 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 5 assignments used, quality = 1.00: * HA ILE 37 + QG2 ILE 37 OK 100 100 100 100 2.1-2.3 3.2=100 HB2 SER 38 - QG2 ILE 37 far 0 99 0 - 4.3-4.8 HA GLN 68 - QG2 ILE 37 far 0 65 0 - 7.1-8.0 HD3 PRO 81 - QG2 ILE 37 far 0 89 0 - 7.1-8.1 HA GLU 44 - QG2 ILE 37 far 0 63 0 - 8.6-9.2 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 3.1-3.2 3.2=100 HB3 LEU 43 - QG2 ILE 37 far 0 99 0 - 6.8-8.5 Violated in 3 structures by 0.00 A. Peak 1093 from cnoeabs.peaks (1.56, 0.94, 17.33 ppm; 3.27 A): 2 out of 3 assignments used, quality = 1.00: * HG13 ILE 37 + QG2 ILE 37 OK 100 100 100 100 2.2-2.6 3.2=100 HB3 LEU 42 + QG2 ILE 37 OK 73 89 100 82 2.4-2.7 3.2/10821=38...(7) HG2 ARG 23 - QG2 ILE 37 far 0 93 0 - 9.9-21.3 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 7 assignments used, quality = 1.00: * QD1 ILE 37 + QG2 ILE 37 OK 100 100 100 100 1.8-2.5 1115=100, 2.1/1092=52...(31) QD2 LEU 43 - QG2 ILE 37 far 0 73 0 - 6.0-7.2 QG1 VAL 93 - QG2 ILE 37 far 0 60 0 - 7.3-8.1 QD1 ILE 32 - QG2 ILE 37 far 0 100 0 - 8.6-9.3 QD1 LEU 96 - QG2 ILE 37 far 0 99 0 - 8.8-9.8 HG12 ILE 129 - QG2 ILE 37 far 0 60 0 - 9.3-11.1 QD2 LEU 49 - QG2 ILE 37 far 0 87 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 1095 from cnoeabs.peaks (7.98, 0.94, 17.33 ppm; 3.70 A): 2 out of 3 assignments used, quality = 1.00: * H SER 38 + QG2 ILE 37 OK 100 100 100 100 1.9-2.4 6423=100, 6422/2.1=66...(21) H ILE 37 + QG2 ILE 37 OK 92 92 100 100 3.6-3.8 6414=82, 6413/2.1=74...(23) H LYS 36 - QG2 ILE 37 far 0 93 0 - 5.4-5.5 Violated in 0 structures by 0.00 A. Peak 1096 from cnoeabs.peaks (7.97, 1.28, 27.60 ppm; 3.78 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 37 + HG12 ILE 37 OK 100 100 100 100 1.5-1.9 6415=100, 6416/1.8=81...(22) H LYS 36 + HG12 ILE 37 OK 56 60 100 93 3.0-3.8 4.4/6415=43...(14) H SER 38 - HG12 ILE 37 far 0 92 0 - 4.7-5.0 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 4 assignments used, quality = 1.00: * HA ILE 37 + HG12 ILE 37 OK 100 100 100 100 2.7-3.4 1076=93, 1113/2.1=83...(27) HB2 SER 38 - HG12 ILE 37 far 0 99 0 - 6.8-7.2 HD3 PRO 81 - HG12 ILE 37 far 0 89 0 - 9.8-11.5 HA GLN 68 - HG12 ILE 37 far 0 65 0 - 9.9-11.2 Violated in 0 structures by 0.00 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 2.4-2.7 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 1 assignment used, quality = 1.00: * QG2 ILE 37 + HG12 ILE 37 OK 100 100 100 100 3.1-3.2 3.2=100 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 3 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 0 89 0 - 6.5-7.0 HG2 ARG 23 - HG12 ILE 37 far 0 93 0 - 9.0-21.8 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 2 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 - 7.2-8.4 Violated in 0 structures by 0.00 A. Peak 1103 from cnoeabs.peaks (7.98, 1.28, 27.60 ppm; 4.18 A): 2 out of 3 assignments used, quality = 0.99: H LYS 36 + HG12 ILE 37 OK 92 93 100 99 3.0-3.8 4.4/6415=53, 10890=43...(14) H ILE 37 + HG12 ILE 37 OK 92 92 100 100 1.5-1.9 6415=88, 6416/1.8=80...(22) ! H SER 38 - HG12 ILE 37 far 5 100 5 - 4.7-5.0 Violated in 0 structures by 0.00 A. Peak 1104 from cnoeabs.peaks (7.97, 1.56, 27.60 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 37 + HG13 ILE 37 OK 100 100 100 100 3.2-3.5 6416=100, 6415/1.8=84...(18) H SER 38 - HG13 ILE 37 far 5 92 5 - 4.3-5.4 H LYS 36 - HG13 ILE 37 far 0 60 0 - 4.6-5.5 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 4 assignments used, quality = 1.00: * HA ILE 37 + HG13 ILE 37 OK 100 100 100 100 2.9-4.0 4.0=95, 1113/2.1=87...(26) HB2 SER 38 - HG13 ILE 37 far 0 99 0 - 7.0-7.8 HA GLN 68 - HG13 ILE 37 far 0 65 0 - 8.6-10.3 HD3 PRO 81 - HG13 ILE 37 far 0 89 0 - 9.6-11.1 Violated in 4 structures by 0.01 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 2.3-3.0 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 1 assignment used, quality = 1.00: * QG2 ILE 37 + HG13 ILE 37 OK 100 100 100 100 2.2-2.6 3.2=100 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 1 assignment used, quality = 1.00: * HG12 ILE 37 + HG13 ILE 37 OK 100 100 100 100 1.8-1.8 1.8=100 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 4 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 0 100 0 - 8.1-9.8 QG1 VAL 93 - HG13 ILE 37 far 0 60 0 - 8.8-10.2 QD2 LEU 43 - HG13 ILE 37 far 0 73 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 1111 from cnoeabs.peaks (7.98, 1.56, 27.60 ppm; 4.18 A): 2 out of 3 assignments used, quality = 0.95: H ILE 37 + HG13 ILE 37 OK 92 92 100 100 3.2-3.5 6416=88, 6415/1.8=82...(18) H LYS 36 + HG13 ILE 37 OK 36 93 40 97 4.6-5.5 4.4/6416=51...(11) ! H SER 38 - HG13 ILE 37 far 5 100 5 - 4.3-5.4 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 3 assignments used, quality = 1.00: * H ILE 37 + QD1 ILE 37 OK 100 100 100 100 2.2-3.3 6417=100, 6415/2.1=83...(24) H SER 38 + QD1 ILE 37 OK 87 92 95 100 3.9-4.9 6426=65, 3.6/1113=63...(19) H LYS 36 + QD1 ILE 37 OK 57 60 100 95 3.6-4.3 4.4/6417=44, 1103/2.1=26...(18) 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 5 assignments used, quality = 1.00: * HA ILE 37 + QD1 ILE 37 OK 100 100 100 100 2.2-3.9 1078=100, 1089/1094=74...(28) HB2 SER 38 - QD1 ILE 37 far 0 99 0 - 5.6-7.2 HA GLN 68 - QD1 ILE 37 far 0 65 0 - 6.2-7.6 HD3 PRO 81 - QD1 ILE 37 far 0 89 0 - 8.8-10.7 HA VAL 20 - QD1 ILE 37 far 0 57 0 - 9.9-22.0 Violated in 1 structures by 0.02 A. Peak 1114 from cnoeabs.peaks (1.97, 0.78, 12.10 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 37 + QD1 ILE 37 OK 100 100 100 100 2.1-3.2 3.2=100 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 6 assignments used, quality = 1.00: * QG2 ILE 37 + QD1 ILE 37 OK 100 100 100 100 1.8-2.5 1094=100, 1092/2.1=50...(31) QG1 VAL 20 - QD1 ILE 37 far 0 63 0 - 8.3-19.6 QD1 LEU 48 - QD1 ILE 37 far 0 96 0 - 8.8-10.0 QD1 LEU 49 - QD1 ILE 37 far 0 76 0 - 9.1-9.7 QG1 VAL 126 - QD1 ILE 37 far 0 81 0 - 9.7-10.3 QG2 VAL 126 - QD1 ILE 37 far 0 63 0 - 10.0-10.5 Violated in 0 structures by 0.00 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 - 9.4-11.0 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 3 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 far 0 89 0 - 4.7-5.2 HG2 ARG 23 - QD1 ILE 37 far 0 93 0 - 7.2-19.1 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 3 assignments used, quality = 1.00: * H SER 38 + QD1 ILE 37 OK 95 100 95 100 3.9-4.9 6426=86, 6423/1094=74...(19) H LYS 36 + QD1 ILE 37 OK 92 93 100 99 3.6-4.3 4.4/6417=49...(18) H ILE 37 + QD1 ILE 37 OK 92 92 100 100 2.2-3.3 6417=88, 2.9/1113=78...(24) Violated in 0 structures by 0.00 A. Peak 1120 from cnoeabs.peaks (7.98, 4.54, 58.15 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: * H SER 38 + HA SER 38 OK 100 100 100 100 2.9-2.9 3.0=100 H ILE 37 - HA SER 38 far 0 92 0 - 5.4-5.7 H LYS 36 - HA SER 38 far 0 93 0 - 7.1-7.3 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): 1 out of 3 assignments used, quality = 1.00: * HB2 SER 38 + HA SER 38 OK 100 100 100 100 2.9-3.0 3.0=100 HA ILE 37 - HA SER 38 far 15 99 15 - 4.5-4.5 HD3 PRO 81 - HA SER 38 far 0 76 0 - 5.7-7.8 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 2 assignments used, quality = 1.00: * HB3 SER 38 + HA SER 38 OK 100 100 100 100 2.2-2.7 3.0=100 HA ALA 34 - HA SER 38 far 0 100 0 - 7.3-7.7 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 2.2-2.4 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 3 assignments used, quality = 1.00: * H SER 38 + HB2 SER 38 OK 100 100 100 100 2.8-3.0 3.9=100 H ILE 37 - HB2 SER 38 far 0 92 0 - 5.8-6.6 H LYS 36 - HB2 SER 38 far 0 93 0 - 7.2-8.3 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 2.9-3.0 3.0=100 HA ASP 35 - HB2 SER 38 far 0 89 0 - 7.6-9.2 HA TYR 72 - HB2 SER 38 far 0 97 0 - 8.4-9.3 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 2 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 - 8.4-9.2 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 3.7-4.3 4.6=80, 1134/1.8=79...(8) Violated in 0 structures by 0.00 A. Peak 1130 from cnoeabs.peaks (7.98, 4.22, 64.43 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * H SER 38 + HB3 SER 38 OK 100 100 100 100 3.3-3.9 3.9=98, 6421/1.8=42...(6) H ILE 37 - HB3 SER 38 far 0 92 0 - 5.5-7.4 H LYS 36 - HB3 SER 38 far 0 93 0 - 7.0-8.9 Violated in 0 structures by 0.00 A. Peak 1131 from cnoeabs.peaks (4.54, 4.22, 64.43 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 38 + HB3 SER 38 OK 100 100 100 100 2.2-2.7 3.0=100 HA ASP 35 - HB3 SER 38 far 0 89 0 - 6.4-9.4 HA TYR 72 - HB3 SER 38 far 0 97 0 - 9.2-10.0 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 3 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 far 0 99 0 - 4.3-5.6 HD3 PRO 81 - HB3 SER 38 far 0 76 0 - 7.5-9.5 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 2.7-3.9 6435=83, 1129/1.8=75...(9) Violated in 0 structures by 0.00 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 2.7-2.7 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 2 assignments used, quality = 1.00: * HB2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.3-2.7 3.0=100 HB ILE 80 - HA LYS 39 far 0 73 0 - 8.3-9.0 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 5 assignments used, quality = 1.00: * HB3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.9-3.0 3.0=100 HG3 PRO 81 - HA LYS 39 far 0 65 0 - 5.8-7.9 HG3 GLN 134 - HA LYS 39 far 0 100 0 - 6.7-8.7 HB3 GLU 44 - HA LYS 39 far 0 100 0 - 7.8-8.7 HB3 GLN 82 - HA LYS 39 far 0 95 0 - 9.5-12.9 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 2.6-3.6 4.0=100 HG3 LYS 39 + HA LYS 39 OK 78 78 100 100 2.3-2.9 4.0=100 QG1 VAL 132 - HA LYS 39 far 0 100 0 - 8.5-9.1 QG2 VAL 132 - HA LYS 39 far 0 100 0 - 8.5-9.5 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 6 assignments used, quality = 1.00: * HG3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.3-2.9 4.0=100 QB ALA 41 + HA LYS 39 OK 80 93 95 90 5.0-5.4 3.7/6479=52, ~6466=31...(7) HG2 LYS 39 + HA LYS 39 OK 78 78 100 100 2.6-3.6 4.0=100 QG1 VAL 132 - HA LYS 39 far 0 68 0 - 8.5-9.1 QG2 VAL 132 - HA LYS 39 far 0 87 0 - 8.5-9.5 QG2 VAL 77 - HA LYS 39 far 0 71 0 - 8.6-9.3 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 1 assignment used, quality = 1.00: * HD2 LYS 39 + HA LYS 39 OK 100 100 100 100 4.0-5.1 5.3=100 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 4.1-4.9 5.3=100 HB2 LEU 43 + HA LYS 39 OK 93 93 100 100 4.4-6.2 3.2/9119=84, 3.2/9122=75...(26) HB ILE 80 - HA LYS 39 far 0 73 0 - 8.3-9.0 HG2 ARG 135 - HA LYS 39 far 0 100 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 1143 from cnoeabs.peaks (2.93, 3.40, 59.82 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 39 + HA LYS 39 OK 100 100 100 100 3.7-4.8 5.9=100 HE3 LYS 39 + HA LYS 39 OK 100 100 100 100 4.8-5.9 5.9=100 HG CYS 73 - HA LYS 39 far 0 100 0 - 8.2-10.0 HB2 CYS 45 - HA LYS 39 far 0 97 0 - 8.5-8.9 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 4.8-5.9 5.9=100 HE2 LYS 39 + HA LYS 39 OK 100 100 100 100 3.7-4.8 5.9=100 HG CYS 73 - HA LYS 39 far 0 98 0 - 8.2-10.0 HB2 CYS 45 - HA LYS 39 far 0 92 0 - 8.5-8.9 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 3 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 3.4-3.8 1338/10870=70, 6494=69...(19) H ASP 131 - HA LYS 39 far 0 97 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 1146 from cnoeabs.peaks (7.49, 3.40, 59.82 ppm; 5.66 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HA LYS 39 OK 100 100 100 100 3.6-3.9 6479=100, 1331/10870=78...(12) H GLN 134 - HA LYS 39 far 0 100 0 - 6.6-7.5 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 2 assignments used, quality = 1.00: * HB2 LEU 42 + HA LYS 39 OK 100 100 100 100 3.0-3.3 1.8/1148=93...(9) HG2 LYS 36 - HA LYS 39 far 0 100 0 - 9.7-10.1 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 4.1-4.8 1.8/1147=85, 1306=84...(7) HG13 ILE 37 - HA LYS 39 far 0 89 0 - 8.3-9.0 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 6 assignments used, quality = 1.00: * H LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.1-3.6 3.9=100 H HIS 10 - HB2 LYS 19 far 2 32 5 - 4.9-30.1 H HIS 8 - HB2 LYS 19 far 0 26 0 - 5.8-36.8 H HIS 7 - HB2 LYS 31 far 0 33 0 - 7.3-47.3 H HIS 7 - HB2 LYS 19 far 0 52 0 - 8.8-38.8 H HIS 8 - HB2 LYS 24 far 0 26 0 - 9.9-41.6 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 1 assignment used, quality = 1.00: * HA LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-2.7 3.0=100 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 9 assignments used, quality = 1.00: * HB3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 81 - HB2 LYS 39 far 3 65 5 - 4.0-7.0 HB3 GLN 27 - HB2 LYS 31 far 0 26 0 - 4.8-9.6 HB3 GLN 27 - HB2 LYS 26 far 0 49 0 - 5.4-7.6 HG3 GLN 134 - HB2 LYS 39 far 0 100 0 - 6.6-9.1 HB3 GLN 27 - HB2 LYS 24 far 0 41 0 - 7.3-13.3 HB3 GLN 82 - HB2 LYS 39 far 0 95 0 - 8.1-11.8 HB3 GLU 44 - HB2 LYS 39 far 0 100 0 - 8.3-10.2 HB3 GLN 27 - HB2 LYS 19 far 0 41 0 - 9.3-22.7 Violated in 0 structures by 0.00 A. Peak 1153 from cnoeabs.peaks (1.13, 1.76, 32.42 ppm; 5.43 A): 3 out of 6 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.2-3.0 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 OK 29 33 90 99 4.0-7.2 10767/3.5=36, ~10751=36...(27) HG12 ILE 32 - HB2 LYS 24 far 0 28 0 - 7.9-14.0 QG1 VAL 132 - HB2 LYS 39 far 0 100 0 - 8.3-9.9 QG2 VAL 132 - HB2 LYS 39 far 0 100 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 1154 from cnoeabs.peaks (1.16, 1.76, 32.42 ppm; 4.65 A): 5 out of 14 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 2.2-3.0 2.9=100 QG2 THR 18 + HB2 LYS 19 OK 44 45 100 98 3.4-3.9 6147/6149=71...(12) HG12 ILE 32 + HB2 LYS 26 OK 43 62 70 99 4.0-7.2 10767/3.5=56, 913/1.8=31...(28) HG12 ILE 32 + HB2 LYS 31 OK 24 34 85 83 4.3-6.4 6354/4.6=62, ~10757=25...(5) QG2 THR 18 - HB2 LYS 24 far 0 45 0 - 5.9-12.9 QB ALA 41 - HB2 LYS 39 far 0 93 0 - 6.2-6.8 QG2 VAL 77 - HB2 LYS 19 far 0 32 0 - 6.8-30.6 QG2 THR 18 - HB2 LYS 31 far 0 29 0 - 7.3-21.6 HG12 ILE 32 - HB2 LYS 24 far 0 53 0 - 7.9-14.0 QG1 VAL 132 - HB2 LYS 39 far 0 68 0 - 8.3-9.9 QG2 VAL 132 - HB2 LYS 39 far 0 87 0 - 8.9-10.7 QG2 VAL 77 - HB2 LYS 39 far 0 71 0 - 9.1-11.0 QG2 THR 18 - HB2 LYS 26 far 0 53 0 - 9.2-16.4 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 31 assignments used, quality = 1.00: * HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.6-3.7 3.6=100 HD2 LYS 26 + HB2 LYS 26 OK 49 49 100 100 2.1-4.0 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 46 46 100 100 2.3-3.9 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 43 43 100 100 2.6-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 41 41 100 100 2.6-3.7 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 27 27 100 100 2.1-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 26 26 100 100 2.0-4.2 3.5=100 HD3 LYS 19 + HB2 LYS 19 OK 26 26 100 100 2.0-3.5 3.9=100 HD2 LYS 19 + HB2 LYS 19 OK 26 26 100 100 2.2-3.2 3.9=100 HD2 LYS 26 - HB2 LYS 31 poor 5 26 20 - 3.7-10.0 HD3 LYS 26 - HB2 LYS 31 far 4 24 15 - 2.1-9.6 HD3 LYS 31 - HB2 LYS 19 far 2 41 5 - 4.6-25.0 HD2 LYS 31 - HB2 LYS 19 far 0 43 0 - 5.2-25.0 HD2 LYS 31 - HB2 LYS 26 far 0 50 0 - 5.4-13.3 HD3 LYS 31 - HB2 LYS 26 far 0 49 0 - 6.1-13.8 HD2 LYS 86 - HB2 LYS 19 far 0 40 0 - 6.5-34.1 HD3 LYS 86 - HB2 LYS 19 far 0 40 0 - 7.1-35.0 HD2 LYS 19 - HB2 LYS 24 far 0 26 0 - 7.3-16.3 HD3 LYS 24 - HB2 LYS 19 far 0 41 0 - 7.9-15.5 HD3 LYS 26 - HB2 LYS 24 far 0 39 0 - 7.9-11.0 HD2 LYS 24 - HB2 LYS 19 far 0 43 0 - 8.2-15.2 HD3 LYS 19 - HB2 LYS 24 far 0 26 0 - 8.2-16.3 HD2 LYS 36 - HB2 LYS 31 far 0 33 0 - 8.4-9.8 HD3 LYS 24 - HB2 LYS 26 far 0 49 0 - 8.4-11.9 HD2 LYS 26 - HB2 LYS 24 far 0 41 0 - 8.6-11.1 HD2 LYS 24 - HB2 LYS 31 far 0 27 0 - 8.8-21.3 HD3 LYS 24 - HB2 LYS 31 far 0 26 0 - 9.4-20.4 HD2 LYS 24 - HB2 LYS 26 far 0 50 0 - 9.6-12.5 HD3 LYS 36 - HB2 LYS 31 far 0 33 0 - 9.7-11.4 HD3 LYS 31 - HB2 LYS 24 far 0 41 0 - 9.9-20.2 HD2 LYS 31 - HB2 LYS 24 far 0 43 0 - 9.9-20.7 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 7 assignments used, quality = 1.00: * HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.2-3.8 3.6=100 HB2 LEU 43 - HB2 LYS 39 far 5 93 5 - 4.1-7.6 HG3 ARG 90 - HB2 LYS 19 far 0 40 0 - 7.1-36.8 HB ILE 80 - HB2 LYS 19 far 0 33 0 - 7.8-36.2 HB ILE 80 - HB2 LYS 39 far 0 73 0 - 8.3-10.8 HG2 ARG 135 - HB2 LYS 39 far 0 100 0 - 8.9-11.0 HB2 LEU 70 - HB2 LYS 24 far 0 54 0 - 8.9-26.6 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 8 assignments used, quality = 1.00: * HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.1-4.7 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.6-5.2 4.9=100 HE2 LYS 24 + HB2 LYS 24 OK 33 33 100 100 3.6-5.5 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 29 29 100 100 2.9-4.6 5.1=100 HE2 LYS 24 - HB2 LYS 19 far 0 33 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 29 0 - 7.8-17.5 HE3 LYS 86 - HB2 LYS 19 far 0 27 0 - 8.3-35.8 HE2 LYS 24 - HB2 LYS 31 far 0 21 0 - 8.4-21.1 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 4 assignments used, quality = 1.00: * HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.6-5.2 4.9=100 HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.1-4.7 4.9=100 HE2 LYS 24 + HB2 LYS 24 OK 28 28 100 100 3.6-5.5 5.1=100 HE2 LYS 24 - HB2 LYS 19 far 0 27 0 - 7.8-15.4 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 8 assignments used, quality = 1.00: * H GLU 40 + HB2 LYS 39 OK 100 100 100 100 2.9-4.0 4.7=83, 6451/1.8=77...(12) H LEU 43 - HB2 LYS 39 far 5 99 5 - 4.6-6.0 H GLU 30 - HB2 LYS 26 far 5 49 10 - 4.4-9.0 H ALA 21 - HB2 LYS 19 far 0 29 0 - 5.3-5.8 H GLU 30 - HB2 LYS 31 far 0 26 0 - 5.5-6.6 H ALA 21 - HB2 LYS 24 far 0 29 0 - 6.0-10.8 H GLU 30 - HB2 LYS 24 far 0 41 0 - 9.5-15.9 H ASP 131 - HB2 LYS 39 far 0 97 0 - 9.7-11.4 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 1 assignment used, quality = 1.00: * H LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-3.2 3.9=100 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 2.9-3.0 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 2 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 - 9.8-11.0 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 3 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 39 + HB3 LYS 39 OK 78 78 100 100 2.6-3.0 2.9=100 QG1 VAL 132 - HB3 LYS 39 far 0 100 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 1165 from cnoeabs.peaks (1.16, 2.08, 32.42 ppm; 5.00 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.6-3.0 2.9=100 HG2 LYS 39 + HB3 LYS 39 OK 78 78 100 100 2.3-3.0 2.9=100 QB ALA 41 - HB3 LYS 39 far 0 93 0 - 5.9-6.2 QG1 VAL 132 - HB3 LYS 39 far 0 68 0 - 9.7-10.5 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 1 assignment used, quality = 1.00: * HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.1-3.7 3.6=100 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 3 assignments used, quality = 1.00: * HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.4-3.6 3.6=100 HB2 LEU 43 - HB3 LYS 39 far 5 93 5 - 4.8-7.1 HB ILE 80 - HB3 LYS 39 far 0 73 0 - 9.8-11.0 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 2 assignments used, quality = 1.00: * H GLU 40 + HB3 LYS 39 OK 100 100 100 100 2.4-2.7 4.7=100 H LEU 43 + HB3 LYS 39 OK 72 99 80 91 5.2-5.8 6494/3.0=57...(8) 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 2.6-3.6 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 2.2-3.0 2.9=100 HB ILE 80 - HG2 LYS 39 far 0 73 0 - 8.2-11.5 Violated in 0 structures by 0.00 A. Peak 1174 from cnoeabs.peaks (2.08, 1.13, 24.15 ppm; 4.99 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 PRO 81 - HG2 LYS 39 poor 9 65 35 37 3.7-9.0 10144/1.8=21...(6) HG3 GLN 134 - HG2 LYS 39 far 5 100 5 - 5.2-8.3 HB3 GLN 82 - HG2 LYS 39 far 0 95 0 - 7.6-13.2 HB3 GLU 44 - HG2 LYS 39 far 0 100 0 - 7.7-10.6 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 1 assignment used, quality = 1.00: * HD2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 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 2.2-3.0 3.0=100 HB2 LEU 43 + HG2 LYS 39 OK 60 93 65 99 3.7-6.9 ~11901=61, ~11073=50...(32) HG2 ARG 135 - HG2 LYS 39 far 0 100 0 - 7.6-11.6 HB ILE 80 - HG2 LYS 39 far 0 73 0 - 8.2-11.5 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 4 assignments used, quality = 1.00: * HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.5-3.5 4.0=100 HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.7-4.1 4.0=100 HD2 ARG 135 - HG2 LYS 39 far 0 99 0 - 9.2-12.8 HB2 CYS 45 - HG2 LYS 39 far 0 97 0 - 9.9-11.7 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 4 assignments used, quality = 1.00: * HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.7-4.1 4.0=100 HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.5-3.5 4.0=100 HD2 ARG 135 - HG2 LYS 39 far 0 97 0 - 9.2-12.8 HB2 CYS 45 - HG2 LYS 39 far 0 92 0 - 9.9-11.7 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 3 assignments used, quality = 1.00: * H GLU 40 + HG2 LYS 39 OK 100 100 100 100 2.7-5.1 1159/2.9=100...(15) H LEU 43 + HG2 LYS 39 OK 99 99 100 100 4.4-6.3 6494/4.0=81...(13) H ASP 131 - HG2 LYS 39 far 0 97 0 - 8.8-10.8 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 2.3-2.9 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 2 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 - 8.4-10.2 Violated in 0 structures by 0.00 A. Peak 1185 from cnoeabs.peaks (2.08, 1.16, 24.15 ppm; 5.30 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.6-3.0 2.9=100 HG3 GLN 134 - HG3 LYS 39 far 15 100 15 - 4.4-6.7 HG3 PRO 81 - HG3 LYS 39 far 7 65 10 - 5.0-7.8 HB3 GLU 44 - HG3 LYS 39 far 0 100 0 - 8.3-9.8 HB3 GLN 82 - HG3 LYS 39 far 0 95 0 - 8.5-12.5 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 1 assignment used, quality = 1.00: * HD2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 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 2.4-3.0 3.0=100 HB2 LEU 43 + HG3 LYS 39 OK 93 93 100 100 3.8-5.7 3.2/11901=93...(32) HG2 ARG 135 - HG3 LYS 39 far 0 100 0 - 8.2-10.3 HB ILE 80 - HG3 LYS 39 far 0 73 0 - 8.4-10.2 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 5 assignments used, quality = 1.00: * HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-2.5 4.0=100 HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.7-3.5 4.0=100 HD2 ARG 135 - HG3 LYS 39 far 0 99 0 - 9.3-11.4 HG CYS 73 - HG3 LYS 39 far 0 100 0 - 9.5-11.3 HB2 CYS 45 - HG3 LYS 39 far 0 97 0 - 9.6-10.7 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 2.7-3.5 4.0=100 HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-2.5 4.0=100 HD2 ARG 135 - HG3 LYS 39 far 0 97 0 - 9.3-11.4 HG CYS 73 - HG3 LYS 39 far 0 98 0 - 9.5-11.3 HB2 CYS 45 - HG3 LYS 39 far 0 92 0 - 9.6-10.7 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 3 assignments used, quality = 1.00: * H GLU 40 + HG3 LYS 39 OK 100 100 100 100 3.9-4.8 1159/2.9=100...(16) H LEU 43 + HG3 LYS 39 OK 99 99 100 100 3.9-5.3 6509/11901=97...(15) H ASP 131 - HG3 LYS 39 far 0 97 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 1193 from cnoeabs.peaks (8.69, 1.68, 29.80 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 39 + HD2 LYS 39 OK 100 100 100 100 4.2-5.9 5.5=100 H PHE 89 - HD3 LYS 86 poor 15 60 25 - 7.2-7.9 H PHE 89 - HD2 LYS 86 far 3 60 5 - 7.4-8.1 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 4.0-5.1 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 9 assignments used, quality = 1.00: * HB2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.6-3.7 3.6=100 HB ILE 80 + HD2 LYS 86 OK 35 37 95 100 3.4-5.0 ~11777=35, ~11877=34...(32) HB ILE 80 + HD3 LYS 86 OK 33 37 90 100 4.4-5.0 ~11777=35, ~11877=34...(31) HG3 ARG 90 - HD2 LYS 86 far 1 29 5 - 4.7-7.9 HG3 ARG 90 - HD3 LYS 86 far 0 29 0 - 5.6-8.5 HB2 LYS 19 - HD2 LYS 86 far 0 55 0 - 6.5-34.1 HB2 ARG 23 - HD2 LYS 86 far 0 59 0 - 6.9-26.2 HB2 LYS 19 - HD3 LYS 86 far 0 55 0 - 7.1-35.0 HB2 ARG 23 - HD3 LYS 86 far 0 59 0 - 7.5-27.3 Violated in 0 structures by 0.00 A. Peak 1196 from cnoeabs.peaks (2.08, 1.68, 29.80 ppm; 4.53 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.1-3.7 3.6=100 HG3 GLN 134 - HD2 LYS 39 far 5 100 5 - 4.1-8.1 HG3 PRO 81 - HD2 LYS 39 far 0 65 0 - 5.3-8.3 HB3 GLN 82 - HD3 LYS 86 far 0 53 0 - 8.1-9.6 HB3 GLN 82 - HD2 LYS 86 far 0 53 0 - 8.2-10.6 HB3 GLU 44 - HD2 LYS 39 far 0 100 0 - 8.2-10.9 HB3 GLN 82 - HD2 LYS 39 far 0 95 0 - 8.5-13.7 HG3 PRO 81 - HD2 LYS 86 far 0 32 0 - 8.6-11.4 HG3 PRO 81 - HD3 LYS 86 far 0 32 0 - 8.8-11.1 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 2.4-3.0 3.0=100 QG1 VAL 132 - HD3 LYS 86 far 0 59 0 - 7.5-7.9 QG1 VAL 132 - HD2 LYS 86 far 0 59 0 - 7.5-8.2 QG1 VAL 132 - HD2 LYS 39 far 0 100 0 - 9.2-10.5 QG2 VAL 132 - HD2 LYS 39 far 0 100 0 - 9.4-10.5 QG2 VAL 132 - HD2 LYS 86 far 0 59 0 - 9.5-9.9 QG2 VAL 132 - HD3 LYS 86 far 0 59 0 - 9.5-10.0 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 13 assignments used, quality = 1.00: * HG3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 39 + HD2 LYS 39 OK 78 78 100 100 2.2-3.0 3.0=100 QG2 VAL 77 + HD2 LYS 86 OK 35 35 100 100 3.2-3.6 2.1/11180=70...(34) QG2 VAL 77 + HD3 LYS 86 OK 35 35 100 100 3.9-4.2 9824/3.5=60, ~11180=57...(34) QB ALA 41 - HD2 LYS 39 far 0 93 0 - 6.2-8.5 QG1 VAL 132 - HD3 LYS 86 far 0 34 0 - 7.5-7.9 QG1 VAL 132 - HD2 LYS 86 far 0 34 0 - 7.5-8.2 QG2 THR 18 - HD3 LYS 86 far 0 50 0 - 7.6-28.6 QG2 THR 18 - HD2 LYS 86 far 0 50 0 - 7.6-28.0 QG1 VAL 132 - HD2 LYS 39 far 0 68 0 - 9.2-10.5 QG2 VAL 132 - HD2 LYS 39 far 0 87 0 - 9.4-10.5 QG2 VAL 132 - HD2 LYS 86 far 0 46 0 - 9.5-9.9 QG2 VAL 132 - HD3 LYS 86 far 0 46 0 - 9.5-10.0 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 7 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 - HD2 LYS 86 far 0 37 0 - 3.4-5.0 HB ILE 80 - HD3 LYS 86 far 0 37 0 - 4.4-5.0 HB2 LEU 43 - HD2 LYS 39 far 0 93 0 - 4.5-6.7 HG3 ARG 90 - HD2 LYS 86 far 0 45 0 - 4.7-7.9 HG3 ARG 90 - HD3 LYS 86 far 0 45 0 - 5.6-8.5 HG2 ARG 135 - HD2 LYS 39 far 0 100 0 - 8.2-11.0 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 6 assignments used, quality = 1.00: * HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.5-3.0 2.9=100 HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HE3 LYS 86 + HD3 LYS 86 OK 31 31 100 100 2.4-2.9 3.0=100 HE3 LYS 86 + HD2 LYS 86 OK 31 31 100 100 2.8-3.0 3.0=100 HE2 LYS 19 - HD3 LYS 86 far 0 32 0 - 6.2-37.3 HE2 LYS 19 - HD2 LYS 86 far 0 32 0 - 6.7-36.3 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 2 assignments used, quality = 1.00: * HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.5-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1203 from cnoeabs.peaks (8.28, 1.68, 29.80 ppm; 5.30 A increased from 4.71 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 40 + HD2 LYS 39 OK 100 100 100 100 2.4-5.2 1159/3.6=76, 6451/3.6=75...(15) H LEU 43 - HD2 LYS 39 poor 20 99 20 - 5.3-7.2 H ALA 21 - HD2 LYS 86 far 2 32 5 - 5.7-29.9 H ALA 21 - HD3 LYS 86 far 0 32 0 - 6.4-30.8 H ASP 131 - HD2 LYS 39 far 0 97 0 - 9.2-10.9 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 1 assignment used, quality = 1.00: * H LYS 39 + HD3 LYS 39 OK 100 100 100 100 4.6-5.4 5.5=98, 2.8/1205=77...(9) 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 4.1-4.9 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 2.2-3.8 3.6=100 HB ILE 80 - HD3 LYS 39 far 0 73 0 - 8.9-11.9 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 2.4-3.6 3.6=100 HG3 PRO 81 - HD3 LYS 39 far 10 65 15 - 3.7-7.5 HG3 GLN 134 - HD3 LYS 39 far 0 100 0 - 4.8-7.9 HB3 GLN 82 - HD3 LYS 39 far 0 95 0 - 7.1-13.0 HB3 GLU 44 - HD3 LYS 39 far 0 100 0 - 9.0-11.9 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 2.2-3.0 3.0=100 HG3 LYS 39 + HD3 LYS 39 OK 78 78 100 100 2.4-3.0 3.0=100 QG1 VAL 132 - HD3 LYS 39 far 0 100 0 - 8.2-10.0 QG2 VAL 132 - HD3 LYS 39 far 0 100 0 - 8.9-10.5 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 6 assignments used, quality = 1.00: * HG3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 39 + HD3 LYS 39 OK 78 78 100 100 2.2-3.0 3.0=100 QB ALA 41 - HD3 LYS 39 far 0 93 0 - 7.4-8.8 QG1 VAL 132 - HD3 LYS 39 far 0 68 0 - 8.2-10.0 QG2 VAL 132 - HD3 LYS 39 far 0 87 0 - 8.9-10.5 QG2 VAL 77 - HD3 LYS 39 far 0 71 0 - 9.9-12.1 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 1 assignment used, quality = 1.00: * HD2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 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 2.6-3.0 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 - 9.0-12.2 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 2.6-3.0 2.9=100 HD2 ARG 135 - HD3 LYS 39 far 0 97 0 - 9.0-12.2 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 3 assignments used, quality = 1.00: * H GLU 40 + HD3 LYS 39 OK 100 100 100 100 4.0-6.1 1203/1.8=100...(15) H LEU 43 + HD3 LYS 39 OK 93 99 95 98 5.6-7.7 6494/1205=70...(9) H ASP 131 - HD3 LYS 39 far 0 97 0 - 9.4-11.1 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 3.7-4.8 5.9=87, 1205/2.9=78...(15) HA LYS 39 + HE3 LYS 39 OK 99 99 100 100 4.8-5.9 5.9=87, 1205/2.9=78...(14) 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 2.1-4.7 4.9=100 HB2 LYS 39 + HE3 LYS 39 OK 99 99 100 100 3.6-5.2 4.9=100 HB ILE 80 - HE2 LYS 39 far 0 73 0 - 8.4-12.1 HB ILE 80 - HE3 LYS 39 far 0 71 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 1218 from cnoeabs.peaks (2.08, 2.93, 41.80 ppm; 4.63 A): 4 out of 10 assignments used, quality = 1.00: * HB3 LYS 39 + HE2 LYS 39 OK 99 100 100 99 3.4-4.6 4.9=85, 3.0/1227=42...(12) HB3 LYS 39 + HE3 LYS 39 OK 98 99 100 99 2.9-5.0 4.9=85, ~1205=31...(12) HG3 GLN 134 + HE2 LYS 39 OK 62 100 65 96 2.3-6.6 10599/10571=33...(14) HG3 GLN 134 + HE3 LYS 39 OK 46 99 50 94 3.4-5.7 10602=27, 10600/9120=27...(14) HG3 PRO 81 - HE3 LYS 39 poor 16 64 25 - 5.1-8.9 HG3 PRO 81 - HE2 LYS 39 poor 13 65 20 - 4.6-9.3 HB3 GLU 44 - HE2 LYS 39 far 0 100 0 - 6.8-11.1 HB3 GLN 82 - HE3 LYS 39 far 0 93 0 - 6.9-13.8 HB3 GLN 82 - HE2 LYS 39 far 0 95 0 - 7.0-14.5 HB3 GLU 44 - HE3 LYS 39 far 0 99 0 - 8.4-12.0 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 2.5-3.5 4.0=100 HG2 LYS 39 + HE3 LYS 39 OK 99 99 100 100 2.7-4.1 4.0=100 HG3 LYS 39 + HE2 LYS 39 OK 78 78 100 100 2.0-2.5 4.0=100 HG3 LYS 39 + HE3 LYS 39 OK 76 76 100 100 2.7-3.5 4.0=100 QG1 VAL 132 - HE2 LYS 39 far 0 100 0 - 7.5-9.9 QG1 VAL 132 - HE3 LYS 39 far 0 99 0 - 7.6-9.7 QG2 VAL 132 - HE2 LYS 39 far 0 100 0 - 7.7-9.4 QG2 VAL 132 - HE3 LYS 39 far 0 99 0 - 8.1-9.9 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 11 assignments used, quality = 1.00: * HG3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.0-2.5 4.0=100 HG3 LYS 39 + HE3 LYS 39 OK 99 99 100 100 2.7-3.5 4.0=100 HG2 LYS 39 + HE2 LYS 39 OK 78 78 100 100 2.5-3.5 4.0=100 HG2 LYS 39 + HE3 LYS 39 OK 76 76 100 100 2.7-4.1 4.0=100 QB ALA 41 - HE2 LYS 39 far 0 93 0 - 6.4-8.8 QG1 VAL 132 - HE2 LYS 39 far 0 68 0 - 7.5-9.9 QG1 VAL 132 - HE3 LYS 39 far 0 66 0 - 7.6-9.7 QG2 VAL 132 - HE2 LYS 39 far 0 87 0 - 7.7-9.4 QB ALA 41 - HE3 LYS 39 far 0 92 0 - 7.8-9.7 QG2 VAL 132 - HE3 LYS 39 far 0 85 0 - 8.1-9.9 QG2 VAL 77 - HE2 LYS 39 far 0 71 0 - 9.2-11.7 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 2 assignments used, quality = 1.00: * HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.5-3.0 2.9=100 HD2 LYS 39 + HE3 LYS 39 OK 99 99 100 100 2.2-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1222 from cnoeabs.peaks (1.71, 2.93, 41.80 ppm; 5.98 A): 3 out of 8 assignments used, quality = 1.00: * HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.6-3.0 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 79 93 85 100 2.3-7.0 3.2/9123=49, 3.2/9120=46...(18) HG2 ARG 135 - HE3 LYS 39 poor 20 99 20 - 6.5-9.2 HB2 LEU 43 - HE3 LYS 39 poor 18 92 20 - 3.6-7.5 HG2 ARG 135 - HE2 LYS 39 far 0 100 0 - 6.6-10.2 HB ILE 80 - HE2 LYS 39 far 0 73 0 - 8.4-12.1 HB ILE 80 - HE3 LYS 39 far 0 71 0 - 9.7-12.5 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 3.7-6.3 1203/2.9=95, 1159/4.9=86...(11) H GLU 40 + HE3 LYS 39 OK 99 99 100 100 5.0-7.0 1203/2.9=95, 1159/4.9=86...(11) H LEU 43 + HE2 LYS 39 OK 99 99 100 100 3.7-6.4 6494/5.9=63...(12) H LEU 43 + HE3 LYS 39 OK 44 98 45 99 5.2-7.6 6494/5.9=63...(10) H ASP 131 - HE2 LYS 39 poor 12 97 25 50 7.3-8.9 10563/10571=34, 1383/9123=23 H ASP 131 - HE3 LYS 39 far 0 96 0 - 8.2-9.1 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 4.8-5.9 5.9=87, 1205/2.9=78...(14) HA LYS 39 + HE2 LYS 39 OK 99 99 100 100 3.7-4.8 5.9=87, 1205/2.9=78...(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 3.6-5.2 4.9=100 HB2 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.1-4.7 4.9=100 HB ILE 80 - HE2 LYS 39 far 0 71 0 - 8.4-12.1 HB ILE 80 - HE3 LYS 39 far 0 73 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 1229 from cnoeabs.peaks (2.08, 2.93, 41.80 ppm; 4.63 A): 4 out of 10 assignments used, quality = 1.00: * HB3 LYS 39 + HE3 LYS 39 OK 99 100 100 99 2.9-5.0 4.9=85, ~1205=31...(12) HB3 LYS 39 + HE2 LYS 39 OK 98 99 100 99 3.4-4.6 4.9=85, 3.0/1227=42...(12) HG3 GLN 134 + HE2 LYS 39 OK 61 99 65 95 2.3-6.6 10599/10571=30...(14) HG3 GLN 134 + HE3 LYS 39 OK 46 100 50 93 3.4-5.7 10602=27, 10600/9120=25...(14) HG3 PRO 81 - HE3 LYS 39 poor 16 65 25 - 5.1-8.9 HG3 PRO 81 - HE2 LYS 39 poor 13 64 20 - 4.6-9.3 HB3 GLU 44 - HE2 LYS 39 far 0 99 0 - 6.8-11.1 HB3 GLN 82 - HE3 LYS 39 far 0 95 0 - 6.9-13.8 HB3 GLN 82 - HE2 LYS 39 far 0 93 0 - 7.0-14.5 HB3 GLU 44 - HE3 LYS 39 far 0 100 0 - 8.4-12.0 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 2.7-4.1 4.0=100 HG2 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.5-3.5 4.0=100 HG3 LYS 39 + HE3 LYS 39 OK 78 78 100 100 2.7-3.5 4.0=100 HG3 LYS 39 + HE2 LYS 39 OK 76 76 100 100 2.0-2.5 4.0=100 QG1 VAL 132 - HE2 LYS 39 far 0 99 0 - 7.5-9.9 QG1 VAL 132 - HE3 LYS 39 far 0 100 0 - 7.6-9.7 QG2 VAL 132 - HE2 LYS 39 far 0 99 0 - 7.7-9.4 QG2 VAL 132 - HE3 LYS 39 far 0 100 0 - 8.1-9.9 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 11 assignments used, quality = 1.00: * HG3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.7-3.5 4.0=100 HG3 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.0-2.5 4.0=100 HG2 LYS 39 + HE3 LYS 39 OK 78 78 100 100 2.7-4.1 4.0=100 HG2 LYS 39 + HE2 LYS 39 OK 76 76 100 100 2.5-3.5 4.0=100 QB ALA 41 - HE2 LYS 39 far 0 92 0 - 6.4-8.8 QG1 VAL 132 - HE2 LYS 39 far 0 66 0 - 7.5-9.9 QG1 VAL 132 - HE3 LYS 39 far 0 68 0 - 7.6-9.7 QG2 VAL 132 - HE2 LYS 39 far 0 85 0 - 7.7-9.4 QB ALA 41 - HE3 LYS 39 far 0 93 0 - 7.8-9.7 QG2 VAL 132 - HE3 LYS 39 far 0 87 0 - 8.1-9.9 QG2 VAL 77 - HE2 LYS 39 far 0 69 0 - 9.2-11.7 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 2 assignments used, quality = 1.00: * HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.5-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1233 from cnoeabs.peaks (1.71, 2.93, 41.80 ppm; 5.35 A): 3 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 2.6-3.0 2.9=100 HB2 LEU 43 + HE2 LYS 39 OK 68 92 75 99 2.3-7.0 3.2/9123=42, 3.2/9120=40...(18) HB2 LEU 43 - HE3 LYS 39 poor 19 93 20 - 3.6-7.5 HG2 ARG 135 - HE3 LYS 39 far 0 100 0 - 6.5-9.2 HG2 ARG 135 - HE2 LYS 39 far 0 99 0 - 6.6-10.2 HB ILE 80 - HE2 LYS 39 far 0 71 0 - 8.4-12.1 HB ILE 80 - HE3 LYS 39 far 0 73 0 - 9.7-12.5 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 5.0-7.0 1203/2.9=95, 1159/4.9=86...(11) H GLU 40 + HE2 LYS 39 OK 99 99 100 100 3.7-6.3 1203/2.9=95, 1159/4.9=86...(11) H LEU 43 + HE2 LYS 39 OK 98 98 100 100 3.7-6.4 6494/5.9=63...(12) H LEU 43 + HE3 LYS 39 OK 44 99 45 99 5.2-7.6 6494/5.9=63...(10) H ASP 131 - HE2 LYS 39 poor 11 96 25 47 7.3-8.9 10563/10571=31, 1383/9123=22 H ASP 131 - HE3 LYS 39 far 0 97 0 - 8.2-9.1 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 2 assignments used, quality = 1.00: * H GLU 40 + HA GLU 40 OK 100 100 100 100 2.8-2.9 2.8=100 H LEU 43 + HA GLU 40 OK 99 99 100 100 3.5-3.9 6506/1245=53...(15) 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 1 assignment used, quality = 1.00: * HB2 GLU 40 + HA GLU 40 OK 100 100 100 100 2.4-2.5 3.0=100 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 4 assignments used, quality = 1.00: * HB3 GLU 40 + HA GLU 40 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 GLU 44 - HA GLU 40 far 0 96 0 - 5.8-6.6 HB2 GLN 134 - HA GLU 40 far 0 92 0 - 8.3-10.1 HG3 PRO 81 - HA GLU 40 far 0 90 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 1241 from cnoeabs.peaks (2.31, 3.84, 59.43 ppm; 4.01 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 40 + HA GLU 40 OK 100 100 100 100 2.5-3.7 3.9=100 HG2 GLU 44 + HA GLU 40 OK 46 76 85 71 3.9-5.3 4.8/6514=35, 9065/4.9=23...(8) HB3 GLN 134 - HA GLU 40 far 0 92 0 - 6.7-9.8 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 2.4-3.6 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 2 assignments used, quality = 1.00: * H LEU 43 + HA GLU 40 OK 100 100 100 100 3.5-3.9 6506/1245=53...(15) H GLU 40 + HA GLU 40 OK 99 99 100 100 2.8-2.9 2.8=100 Violated in 0 structures by 0.00 A. Peak 1245 from cnoeabs.peaks (1.73, 3.84, 59.43 ppm; 4.21 A): 1 out of 3 assignments used, quality = 0.99: * HB2 LEU 43 + HA GLU 40 OK 99 100 100 99 2.4-3.9 3.2/9055=61, 1.8/1246=53...(15) HD3 LYS 39 - HA GLU 40 far 14 93 15 - 3.9-7.6 HG LEU 48 - HA GLU 40 far 0 93 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 1246 from cnoeabs.peaks (1.28, 3.84, 59.43 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 43 + HA GLU 40 OK 100 100 100 100 2.3-4.2 1.8/1245=96, 3.2/9055=82...(15) Violated in 0 structures by 0.00 A. Peak 1247 from cnoeabs.peaks (8.28, 1.90, 28.28 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 40 + HB2 GLU 40 OK 100 100 100 100 2.5-3.6 6459=100, 6460/1.8=80...(9) H LEU 43 - HB2 GLU 40 far 0 99 0 - 5.6-6.0 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 2.4-2.5 3.0=100 HB2 SER 130 - HB2 GLU 40 far 0 83 0 - 9.3-12.0 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 3 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 0 96 0 - 6.0-7.9 HB2 GLN 134 - HB2 GLU 40 far 0 92 0 - 9.6-12.1 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 2.6-3.0 3.0=100 HG2 GLU 44 - HB2 GLU 40 poor 16 76 55 39 3.4-6.9 1241/3.0=17...(4) HB3 GLN 134 - HB2 GLU 40 far 0 92 0 - 8.1-11.8 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 2.4-3.0 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 3.6-3.8 6470=100, 6471/1.8=89...(25) Violated in 0 structures by 0.00 A. Peak 1254 from cnoeabs.peaks (8.28, 2.04, 28.28 ppm; 3.94 A): 1 out of 8 assignments used, quality = 1.00: * H GLU 40 + HB3 GLU 40 OK 100 100 100 100 2.4-2.8 6460=100, 6459/1.8=82...(11) H LEU 43 - HB3 GLU 40 far 0 99 0 - 5.6-5.9 H LEU 43 - HB2 GLU 44 far 0 84 0 - 6.4-6.5 H LEU 49 - HB2 GLU 44 far 0 61 0 - 8.0-8.4 H GLU 40 - HB2 GLU 44 far 0 87 0 - 8.1-8.7 H LEU 96 - HG2 ARG 90 far 0 77 0 - 9.2-10.2 H ALA 21 - HG2 ARG 90 far 0 45 0 - 9.5-32.9 H LEU 69 - HB2 GLU 44 far 0 69 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 1255 from cnoeabs.peaks (3.84, 2.04, 28.28 ppm; 3.90 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 40 + HB3 GLU 40 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 40 - HB2 GLU 44 far 0 87 0 - 5.8-6.6 HB2 SER 130 - HB2 GLU 44 far 0 65 0 - 8.3-10.1 HD2 PRO 81 - HG2 ARG 90 far 0 74 0 - 9.4-10.4 HB2 SER 130 - HB3 GLU 40 far 0 83 0 - 9.9-12.4 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 5 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 2.4-2.6 2.9=100 HB3 LEU 48 - HB2 GLU 44 far 0 85 0 - 5.9-7.0 HB2 GLU 40 - HB2 GLU 44 far 0 87 0 - 6.0-7.9 HB2 MET 11 - HG2 ARG 90 far 0 51 0 - 6.1-39.9 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): 3 out of 7 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 2.7-2.9 3.0=100 HB VAL 77 + HG2 ARG 90 OK 56 59 95 100 2.4-4.2 ~9651=42, 2.1/9652=41...(26) HG2 GLU 44 - HB3 GLU 40 far 4 76 5 - 4.1-6.3 HG2 GLU 40 - HB2 GLU 44 far 0 87 0 - 5.7-9.3 HG3 GLN 68 - HB2 GLU 44 far 0 82 0 - 7.5-9.0 HB3 GLN 134 - HB3 GLU 40 far 0 92 0 - 9.3-12.5 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 0 87 0 - 4.6-9.3 HG3 GLU 128 - HG2 ARG 90 far 0 43 0 - 9.0-10.3 HG3 GLU 97 - HG2 ARG 90 far 0 45 0 - 9.5-10.7 HG2 GLU 128 - HG2 ARG 90 far 0 57 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 1260 from cnoeabs.peaks (7.89, 2.04, 28.28 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 41 + HB3 GLU 40 OK 100 100 100 100 2.4-2.6 6471=100, 6470/1.8=77...(24) H ALA 41 - HB2 GLU 44 far 0 87 0 - 6.7-7.1 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 3 assignments used, quality = 1.00: * H GLU 40 + HG2 GLU 40 OK 100 100 100 100 1.9-4.5 6461=77, 6460/3.0=74...(11) H GLU 30 + HG3 GLU 30 OK 52 52 100 100 3.0-4.1 6320/1.8=70, 6318/3.0=63...(11) H LEU 43 - HG2 GLU 40 far 0 99 0 - 5.8-6.8 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 3 assignments used, quality = 1.00: * HA GLU 40 + HG2 GLU 40 OK 100 100 100 100 2.5-3.7 3.9=100 HB2 SER 130 - HG2 GLU 40 far 0 83 0 - 9.0-12.7 HD2 PRO 81 - HG2 GLU 40 far 0 97 0 - 9.7-14.6 Violated in 0 structures by 0.00 A. Peak 1263 from cnoeabs.peaks (1.90, 2.31, 35.29 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 40 + HG2 GLU 40 OK 100 100 100 100 2.6-3.0 3.0=100 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 6 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 HB3 GLN 27 - HG3 GLU 30 far 4 41 10 - 3.4-9.2 HB2 GLU 44 - HG2 GLU 40 far 0 96 0 - 5.7-9.3 HB2 GLN 134 - HG2 GLU 40 far 0 92 0 - 8.4-13.3 HG3 PRO 81 - HG2 GLU 40 far 0 90 0 - 8.4-14.8 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 1 assignment used, quality = 1.00: * HG3 GLU 40 + HG2 GLU 40 OK 100 100 100 100 1.8-1.8 1.8=100 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 1 assignment used, quality = 1.00: * H ALA 41 + HG2 GLU 40 OK 100 100 100 100 3.6-4.7 6471/3.0=94, 6470/3.0=92...(22) Violated in 0 structures by 0.00 A. Peak 1268 from cnoeabs.peaks (8.28, 2.39, 35.29 ppm; 4.59 A increased from 4.08 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 40 + HG3 GLU 40 OK 100 100 100 100 2.0-4.4 4.8=90, 2.8/1269=84...(9) H LEU 43 - HG3 GLU 40 far 0 99 0 - 5.3-6.7 Violated in 0 structures by 0.00 A. Peak 1269 from cnoeabs.peaks (3.84, 2.39, 35.29 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 40 + HG3 GLU 40 OK 100 100 100 100 2.4-3.6 3.9=95, 2.8/1268=46...(13) HB2 SER 130 - HG3 GLU 40 far 0 83 0 - 8.9-12.7 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 1 assignment used, quality = 1.00: * HB2 GLU 40 + HG3 GLU 40 OK 100 100 100 100 2.4-3.0 3.0=100 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 4 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 0 96 0 - 4.6-9.3 HB2 GLN 134 - HG3 GLU 40 far 0 92 0 - 8.5-12.0 HG3 PRO 81 - HG3 GLU 40 far 0 90 0 - 8.8-14.2 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 3 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 lone 3 76 30 12 2.1-8.0 1241/1269=6, 6472/1274=3 HB3 GLN 134 - HG3 GLU 40 far 0 92 0 - 7.1-11.3 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 3.7-4.9 6473=88, 6471/3.0=86...(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 2.8-2.8 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 2 assignments used, quality = 1.00: * QB ALA 41 + HA ALA 41 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 LYS 39 - HA ALA 41 far 0 93 0 - 7.8-9.1 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 2 assignments used, quality = 1.00: * H GLU 44 + HA ALA 41 OK 100 100 100 100 4.2-4.3 6515=100, 6527/1409=80...(11) H TYR 72 - HA ALA 41 far 0 97 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 1280 from cnoeabs.peaks (2.02, 3.91, 54.68 ppm; 4.29 A increased from 4.04 A): 2 out of 2 assignments used, quality = 0.97: HB3 GLU 40 + HA ALA 41 OK 96 96 100 100 4.0-4.3 10932/2.1=70...(23) * HB2 GLU 44 + HA ALA 41 OK 25 100 25 100 4.8-5.2 1.8/1409=90, 3.0/9064=53...(14) 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 2 assignments used, quality = 1.00: * HB3 GLU 44 + HA ALA 41 OK 100 100 100 100 3.3-4.4 1409=100, 6527/6515=53...(16) HB3 LYS 39 - HA ALA 41 far 0 100 0 - 7.5-7.8 Violated in 3 structures by 0.02 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 2.0-2.1 3.0=100 H GLN 68 - QB ALA 41 far 0 65 0 - 9.7-10.5 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 HA3 GLY 75 - QB ALA 41 far 0 99 0 - 7.7-8.6 HB2 SER 33 - QB ALA 41 far 0 100 0 - 8.4-9.2 HA ALA 46 - QB ALA 41 far 0 93 0 - 8.8-9.1 HA LEU 70 - QB ALA 41 far 0 63 0 - 9.9-10.6 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 1 assignment used, quality = 0.99: * H LEU 42 + QB ALA 41 OK 99 100 100 99 2.4-2.8 6484=95, 2.8/9066=35...(9) 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 1 assignment used, quality = 1.00: * H LEU 42 + HA LEU 42 OK 100 100 100 100 2.9-2.9 2.8=100 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 3 assignments used, quality = 1.00: * HB2 LEU 42 + HA LEU 42 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 LYS 36 - HA LEU 42 far 0 100 0 - 7.8-9.3 QB ALA 15 - HA LEU 42 far 0 100 0 - 9.3-34.1 Violated in 0 structures by 0.00 A. Peak 1289 from cnoeabs.peaks (1.54, 3.48, 59.85 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 42 + HA LEU 42 OK 100 100 100 100 2.4-2.4 3.0=100 HG13 ILE 37 - HA LEU 42 far 0 89 0 - 5.9-7.8 Violated in 0 structures by 0.00 A. Peak 1290 from cnoeabs.peaks (1.49, 3.48, 59.85 ppm; 4.20 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 42 + HA LEU 42 OK 100 100 100 100 2.5-2.7 3.7=100 HG LEU 69 - HA LEU 42 far 0 63 0 - 6.5-7.3 HG3 LYS 36 - HA LEU 42 far 0 83 0 - 8.9-10.8 HB2 LEU 49 - HA LEU 42 far 0 97 0 - 9.4-10.6 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 3.2-3.4 4.1=100 QD1 ILE 129 - HA LEU 42 far 0 99 0 - 7.9-8.7 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 3.7-3.8 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 4 assignments used, quality = 1.00: * H LEU 43 + HA LEU 42 OK 100 100 100 100 3.6-3.6 3.6=100 H LEU 69 - HA LEU 42 far 0 97 0 - 6.7-7.4 H GLU 40 - HA LEU 42 far 0 99 0 - 6.9-7.1 H LEU 49 - HA LEU 42 far 0 92 0 - 9.1-9.6 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 3.5-3.7 3.5/1295=89, 6535/3.6=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 6 assignments used, quality = 1.00: * HB2 CYS 45 + HA LEU 42 OK 100 100 100 100 2.9-3.4 1439=92, 1.8/1445=73...(10) HG CYS 73 + HA LEU 42 OK 21 99 30 69 5.1-6.5 11071/9072=32...(4) HE2 LYS 39 - HA LEU 42 far 0 97 0 - 7.1-9.5 HE3 LYS 39 - HA LEU 42 far 0 92 0 - 8.7-10.9 HE2 LYS 36 - HA LEU 42 far 0 92 0 - 8.8-11.3 HE3 LYS 36 - HA LEU 42 far 0 85 0 - 9.7-11.4 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 2 assignments used, quality = 1.00: * HB3 CYS 45 + HA LEU 42 OK 100 100 100 100 4.5-5.1 1445=100, 1.8/1295=99...(6) HB3 TYR 76 + HA LEU 42 OK 100 100 100 100 5.2-6.3 9092/1324=88...(6) Violated in 0 structures by 0.00 A. Peak 1298 from cnoeabs.peaks (7.49, 1.38, 42.33 ppm; 5.48 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HB2 LEU 42 OK 100 100 100 100 2.3-2.5 4.0=100 H GLN 134 - HB2 LEU 42 far 0 100 0 - 7.9-8.5 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 3.0-3.0 3.0=100 HA VAL 77 - HB2 LEU 42 far 0 63 0 - 8.1-8.4 HA ILE 129 - HB2 LEU 42 far 0 93 0 - 8.4-9.3 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): 1 out of 2 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 0 89 0 - 6.8-8.0 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 2.9-2.9 3.0=100 HG LEU 69 - HB2 LEU 42 far 0 63 0 - 8.0-8.5 HG3 LYS 36 - HB2 LEU 42 far 0 83 0 - 10.0-11.5 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 2.8-2.9 3.2=100 QD1 ILE 129 - HB2 LEU 42 far 0 99 0 - 7.7-8.5 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 1.9-2.0 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 4 assignments used, quality = 1.00: * H LEU 43 + HB2 LEU 42 OK 100 100 100 100 2.2-2.5 4.6=100 H GLU 40 + HB2 LEU 42 OK 96 99 100 97 5.2-5.5 3.6/1147=79...(5) H ASP 131 - HB2 LEU 42 far 0 89 0 - 8.7-9.6 H LEU 69 - HB2 LEU 42 far 0 97 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 1307 from cnoeabs.peaks (7.49, 1.54, 42.33 ppm; 5.30 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HB3 LEU 42 OK 100 100 100 100 2.6-2.8 4.0=100 H GLN 134 - HB3 LEU 42 far 0 100 0 - 9.5-10.1 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 2.4-2.4 3.0=100 HA VAL 77 - HB3 LEU 42 far 0 63 0 - 7.9-8.4 HA ILE 129 - HB3 LEU 42 far 0 93 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 1309 from cnoeabs.peaks (1.38, 1.54, 42.33 ppm; 4.68 A): 2 out of 11 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 OK 67 98 75 91 2.0-7.2 10703/3.1=39, ~10756=18...(34) QB ALA 28 - HB2 LEU 22 far 5 98 5 - 4.5-16.1 HG3 LYS 31 - HB2 LEU 22 far 5 92 5 - 4.2-22.1 HG2 LYS 19 - HB2 LEU 22 far 0 90 0 - 6.3-9.0 HG2 LYS 36 - HB3 LEU 42 far 0 100 0 - 7.4-8.7 QB ALA 29 - HB2 LEU 22 far 0 98 0 - 7.4-18.2 QB ALA 16 - HB2 LEU 22 far 0 65 0 - 7.6-13.2 HG3 LYS 26 - HB2 LEU 22 far 0 98 0 - 8.8-13.5 QB ALA 15 - HB3 LEU 42 far 0 100 0 - 9.0-33.4 QB ALA 15 - HB2 LEU 22 far 0 98 0 - 10.0-15.3 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 3 assignments used, quality = 1.00: * HG LEU 42 + HB3 LEU 42 OK 100 100 100 100 2.7-2.8 3.0=100 HG LEU 69 - HB3 LEU 42 far 0 63 0 - 7.6-8.4 HG3 LYS 36 - HB3 LEU 42 far 0 83 0 - 8.8-10.4 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 1.9-2.0 3.2=100 QD1 ILE 129 - HB3 LEU 42 far 0 99 0 - 7.8-8.5 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 3.0-3.0 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): 3 out of 6 assignments used, quality = 1.00: * H LEU 43 + HB3 LEU 42 OK 100 100 100 100 3.7-3.9 4.6=100 H GLU 40 + HB3 LEU 42 OK 98 99 100 99 6.1-6.8 3.6/1148=94, 1305/1.8=48...(4) H ALA 21 + HB2 LEU 22 OK 78 79 100 99 4.3-5.7 4.6/6188=97, ~11967=34...(4) H LEU 69 - HB3 LEU 42 far 0 97 0 - 8.0-9.0 H GLU 30 - HB2 LEU 22 far 0 67 0 - 8.6-20.1 H ASP 131 - HB3 LEU 42 far 0 89 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 1315 from cnoeabs.peaks (7.49, 1.49, 28.46 ppm; 5.61 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HG LEU 42 OK 100 100 100 100 4.4-4.5 4.6=100 H GLN 134 - HG LEU 42 far 0 100 0 - 8.7-9.3 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 2.5-2.7 3.7=100 HA ILE 129 - HG LEU 42 far 0 93 0 - 7.0-8.1 HA VAL 77 - HG LEU 42 far 0 63 0 - 8.4-8.9 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 5 assignments used, quality = 1.00: * HB2 LEU 42 + HG LEU 42 OK 100 100 100 100 2.9-2.9 3.0=100 QB ALA 15 - HG LEU 42 far 0 100 0 - 8.7-34.6 HG LEU 96 - HG LEU 42 far 0 85 0 - 9.4-9.9 HB2 LEU 96 - HG LEU 42 far 0 100 0 - 9.5-10.2 HG2 LYS 36 - HG LEU 42 far 0 100 0 - 9.8-11.2 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 2.7-2.8 3.0=100 HG13 ILE 37 - HG LEU 42 far 0 89 0 - 7.5-8.6 HG LEU 49 - HG LEU 42 far 0 63 0 - 9.7-10.4 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 0 99 0 - 5.8-6.6 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 2 assignments used, quality = 1.00: * H LEU 42 + QD1 LEU 42 OK 100 100 100 100 4.3-4.4 6489=98, 1331/2.1=78...(8) H GLN 134 - QD1 LEU 42 far 0 100 0 - 7.6-8.1 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 3.2-3.4 4.1=100 HA VAL 77 + QD1 LEU 42 OK 37 63 80 73 5.1-5.6 9666/11890=24...(9) HA ILE 129 - QD1 LEU 42 far 0 93 0 - 5.5-6.8 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 6 assignments used, quality = 1.00: * HB2 LEU 42 + QD1 LEU 42 OK 100 100 100 100 2.8-2.9 3.2=100 QB ALA 15 - QD1 LEU 42 far 0 100 0 - 6.3-27.5 HG LEU 96 - QD1 LEU 42 far 0 85 0 - 7.4-8.1 HG2 LYS 36 - QD1 LEU 42 far 0 100 0 - 7.5-8.7 HB2 LEU 96 - QD1 LEU 42 far 0 100 0 - 7.9-8.7 QB ALA 16 - QD1 LEU 42 far 0 68 0 - 9.7-29.7 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 1.9-2.0 3.2=100 HG13 ILE 37 - QD1 LEU 42 far 0 89 0 - 4.7-5.5 HG LEU 49 - QD1 LEU 42 far 0 63 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 1327 from cnoeabs.peaks (1.49, 0.63, 27.44 ppm; 3.56 A): 1 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 far 0 63 0 - 5.0-5.6 HG3 LYS 86 - QD1 LEU 42 far 0 96 0 - 7.5-9.7 HB2 LEU 49 - QD1 LEU 42 far 0 97 0 - 8.4-9.4 HG3 LYS 36 - QD1 LEU 42 far 0 83 0 - 8.7-10.1 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 1.9-1.9 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): 1 out of 7 assignments used, quality = 1.00: * H LEU 43 + QD1 LEU 42 OK 100 100 100 100 4.5-4.6 6503=100, 1338/2.1=95...(16) H LEU 69 - QD1 LEU 42 far 0 97 0 - 5.9-6.5 H GLU 40 - QD1 LEU 42 far 0 99 0 - 7.0-7.4 H ASP 131 - QD1 LEU 42 far 0 89 0 - 7.4-8.2 H VAL 126 - QD1 LEU 42 far 0 100 0 - 8.6-9.3 H LEU 96 - QD1 LEU 42 far 0 95 0 - 8.8-9.5 H LEU 49 - QD1 LEU 42 far 0 92 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 1331 from cnoeabs.peaks (7.49, 0.56, 24.08 ppm; 4.49 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 42 + QD2 LEU 42 OK 100 100 100 100 3.8-4.0 6490=94, 2.8/1332=77...(9) H GLN 134 - QD2 LEU 42 far 0 100 0 - 5.4-5.8 HE22 GLN 127 - QD2 LEU 42 far 0 98 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 1332 from cnoeabs.peaks (3.48, 0.56, 24.08 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 42 + QD2 LEU 42 OK 100 100 100 100 3.7-3.8 3.9=100 HA ILE 129 - QD2 LEU 42 far 0 93 0 - 4.8-5.5 HA VAL 77 - QD2 LEU 42 far 0 63 0 - 5.8-6.3 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 5 assignments used, quality = 1.00: * HB2 LEU 42 + QD2 LEU 42 OK 100 100 100 100 1.9-2.0 3.1=100 QB ALA 15 - QD2 LEU 42 far 0 100 0 - 8.2-29.6 HB2 LEU 96 - QD2 LEU 42 far 0 100 0 - 8.4-9.0 HG LEU 96 - QD2 LEU 42 far 0 85 0 - 8.6-9.2 HG2 LYS 36 - QD2 LEU 42 far 0 100 0 - 9.1-10.2 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 3.0-3.0 3.1=100 HG13 ILE 37 - QD2 LEU 42 far 0 89 0 - 6.9-7.8 HG LEU 49 - QD2 LEU 42 far 0 63 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 1335 from cnoeabs.peaks (1.49, 0.56, 24.08 ppm; 3.47 A): 1 out of 4 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 far 0 63 0 - 5.2-5.8 HB2 LEU 49 - QD2 LEU 42 far 0 97 0 - 8.0-8.8 HG3 LYS 86 - QD2 LEU 42 far 0 96 0 - 8.0-10.1 Violated in 0 structures by 0.00 A. Peak 1336 from cnoeabs.peaks (0.63, 0.56, 24.08 ppm; 2.88 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + QD2 LEU 42 OK 100 100 100 100 1.9-1.9 2.1=100 QD1 ILE 129 - QD2 LEU 42 far 0 99 0 - 4.6-5.3 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): 1 out of 7 assignments used, quality = 1.00: * H LEU 43 + QD2 LEU 42 OK 100 100 100 100 2.5-2.9 6504=89, 1330/2.1=59...(20) H ASP 131 - QD2 LEU 42 far 0 89 0 - 5.3-6.1 H GLU 40 - QD2 LEU 42 far 0 99 0 - 5.8-6.1 H LEU 69 - QD2 LEU 42 far 0 97 0 - 7.3-7.7 H VAL 126 - QD2 LEU 42 far 0 100 0 - 8.2-8.8 H LEU 49 - QD2 LEU 42 far 0 92 0 - 8.3-8.8 H LEU 96 - QD2 LEU 42 far 0 95 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 1339 from cnoeabs.peaks (8.29, 3.78, 57.62 ppm; 4.83 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 43 + HA LEU 43 OK 100 100 100 100 2.7-2.7 2.8=100 H ASP 131 - HA LEU 43 far 0 89 0 - 6.2-6.9 H GLU 40 - HA LEU 43 far 0 99 0 - 6.9-7.1 H LEU 49 - HA LEU 43 far 0 92 0 - 8.2-8.8 H LEU 69 - HA LEU 43 far 0 97 0 - 9.4-9.8 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 5 assignments used, quality = 1.00: * HB2 LEU 43 + HA LEU 43 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 LYS 39 - HA LEU 43 far 0 93 0 - 6.6-8.9 HG13 ILE 129 - HA LEU 43 far 0 89 0 - 7.0-9.5 HG LEU 48 - HA LEU 43 far 0 93 0 - 7.5-9.5 HG2 ARG 135 - HA LEU 43 far 0 89 0 - 10.0-12.2 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 1 assignment used, quality = 1.00: * HB3 LEU 43 + HA LEU 43 OK 100 100 100 100 2.5-3.0 3.0=100 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 2 assignments used, quality = 1.00: * HG LEU 43 + HA LEU 43 OK 100 100 100 100 2.7-3.4 3.7=100 HB2 LEU 69 - HA LEU 43 far 0 68 0 - 8.2-8.7 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 3.5-3.9 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 6 assignments used, quality = 1.00: * QD2 LEU 43 + HA LEU 43 OK 100 100 100 100 1.8-2.4 3.9=93, 2.1/1344=66...(17) HG12 ILE 129 - HA LEU 43 far 0 100 0 - 7.0-9.6 QD2 LEU 96 - HA LEU 43 far 0 99 0 - 8.0-8.9 QD1 LEU 96 - HA LEU 43 far 0 89 0 - 8.8-9.6 QD1 ILE 37 - HA LEU 43 far 0 73 0 - 9.3-9.7 QG1 VAL 93 - HA LEU 43 far 0 100 0 - 9.7-10.2 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 2 assignments used, quality = 1.00: * H GLU 44 + HA LEU 43 OK 100 100 100 100 3.6-3.6 3.6=100 H TYR 72 - HA LEU 43 far 0 97 0 - 9.4-9.9 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 3.2-3.5 6550=100, 3.1/1348=94...(12) 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 2.0-2.4 9176/1345=68...(13) 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 3 assignments used, quality = 1.00: * HA GLU 40 + HB2 LEU 43 OK 100 100 100 100 2.4-3.9 1245=100, 9055/3.2=80...(16) HB2 SER 130 + HB2 LEU 43 OK 66 83 80 100 3.9-7.2 11805/3.2=85, ~10509=60...(20) HB2 SER 50 - HB2 LEU 43 far 0 100 0 - 9.9-11.9 Violated in 0 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 2.4-3.6 3.9=100 H GLU 40 + HB2 LEU 43 OK 74 99 75 100 4.4-6.3 2.8/1245=79...(20) H ASP 131 - HB2 LEU 43 far 0 89 0 - 7.4-8.9 H LEU 49 - HB2 LEU 43 far 0 92 0 - 9.6-10.7 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 2.6-3.0 3.0=100 HA SER 130 + HB2 LEU 43 OK 90 100 90 100 4.9-6.1 11747/3.2=89, ~11805=51...(31) HB3 SER 130 + HB2 LEU 43 OK 25 99 25 100 5.6-7.1 10509/3.2=88, ~11805=69...(28) HA VAL 133 - HB2 LEU 43 far 0 93 0 - 8.2-8.7 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 1 assignment used, quality = 1.00: * HB3 LEU 43 + HB2 LEU 43 OK 100 100 100 100 1.8-1.8 1.8=100 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 1 assignment used, quality = 1.00: * HG LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.3-3.0 3.0=100 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 2.1-2.6 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 3 assignments used, quality = 1.00: * QD2 LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.2-3.2 3.2=100 QD1 ILE 37 - HB2 LEU 43 far 0 73 0 - 9.4-10.6 HG12 ILE 129 - HB2 LEU 43 far 0 100 0 - 9.7-12.3 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 1 assignment used, quality = 1.00: * H GLU 44 + HB2 LEU 43 OK 100 100 100 100 2.4-3.1 4.6=100 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 2.3-4.2 1246=100, 1245/1.8=100...(15) HB2 SER 130 + HB3 LEU 43 OK 79 83 95 100 3.4-7.1 11805/3.2=96, ~10509=80...(18) HB2 SER 50 - HB3 LEU 43 far 0 100 0 - 8.8-12.2 HD2 PRO 81 - HB3 LEU 43 far 0 97 0 - 9.8-12.0 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 25 99 25 100 4.4-6.5 2.8/1246=71...(13) H ASP 131 - HB3 LEU 43 far 0 89 0 - 7.1-8.9 H LEU 49 - HB3 LEU 43 far 0 92 0 - 9.5-10.8 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 4 assignments used, quality = 1.00: * HA LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.5-3.0 3.0=100 HA SER 130 + HB3 LEU 43 OK 90 100 90 100 4.4-6.0 11747/3.2=84, ~11805=46...(27) HB3 SER 130 + HB3 LEU 43 OK 74 99 75 100 5.0-7.0 10509/3.2=83, ~11805=63...(25) HA VAL 133 - HB3 LEU 43 far 0 93 0 - 8.1-8.8 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 4 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 - 5.3-8.3 HG LEU 48 - HB3 LEU 43 far 0 93 0 - 8.1-10.2 HG13 ILE 129 - HB3 LEU 43 far 0 89 0 - 9.4-12.0 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 1 assignment used, quality = 1.00: * HG LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.5-3.0 3.0=100 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 2.2-2.6 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 4 assignments used, quality = 1.00: * QD2 LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.1-3.2 3.2=100 HG12 ILE 129 - HB3 LEU 43 far 0 100 0 - 9.2-12.2 QD1 ILE 37 - HB3 LEU 43 far 0 73 0 - 9.4-11.0 QD2 LEU 96 - HB3 LEU 43 far 0 99 0 - 10.0-11.0 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 1 assignment used, quality = 1.00: * H GLU 44 + HB3 LEU 43 OK 100 100 100 100 2.5-3.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 1367 from cnoeabs.peaks (8.29, 1.64, 27.00 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: * H LEU 43 + HG LEU 43 OK 100 100 100 100 2.3-2.7 4.6=100 H GLU 40 + HG LEU 43 OK 99 99 100 100 4.3-5.3 10927/2.1=98, ~9055=88...(20) H ASP 131 + HG LEU 43 OK 75 89 95 89 6.8-7.8 3.6/1368=47, 1383/2.1=46...(5) H ALA 21 - HG3 ARG 23 poor 6 51 50 24 4.8-8.5 4.7/6165=10, 4.3/398=10 H GLU 30 - HG3 ARG 23 far 0 42 0 - 8.6-19.9 Violated in 0 structures by 0.00 A. Peak 1368 from cnoeabs.peaks (3.78, 1.64, 27.00 ppm; 4.86 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 43 + HG LEU 43 OK 100 100 100 100 2.7-3.4 3.7=100 HA SER 130 + HG LEU 43 OK 100 100 100 100 3.7-4.9 11747/2.1=92, ~11805=55...(30) HB3 SER 130 - HG LEU 43 far 0 99 0 - 5.6-6.5 HA VAL 133 - HG LEU 43 far 0 93 0 - 5.6-6.2 HA VAL 133 - HG2 ARG 84 far 0 76 0 - 7.8-11.8 HA VAL 133 - HG3 ARG 84 far 0 76 0 - 9.1-11.4 HB2 SER 9 - HG3 ARG 84 far 0 59 0 - 9.3-59.3 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 14 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 23 93 25 99 4.1-6.1 ~11901=45, 1377/2.1=41...(27) HB2 LYS 26 - HG3 ARG 23 far 0 45 0 - 5.1-12.8 HB2 LYS 24 - HG3 ARG 23 far 0 51 0 - 5.3-7.9 HB2 LYS 31 - HG3 ARG 23 far 0 57 0 - 5.3-18.1 HG2 ARG 135 - HG2 ARG 84 far 0 71 0 - 6.2-11.3 HG2 ARG 135 - HG3 ARG 84 far 0 71 0 - 6.7-10.3 HB2 LYS 19 - HG3 ARG 23 far 0 45 0 - 7.2-12.4 HB ILE 80 - HG2 ARG 84 far 0 81 0 - 8.3-10.6 HG2 ARG 135 - HG LEU 43 far 0 89 0 - 8.5-10.9 HG13 ILE 129 - HG LEU 43 far 0 89 0 - 8.7-10.7 HB ILE 80 - HG3 ARG 84 far 0 81 0 - 9.5-11.1 HB2 LEU 70 - HG3 ARG 23 far 0 57 0 - 10.0-27.7 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 2 assignments used, quality = 1.00: * HB3 LEU 43 + HG LEU 43 OK 100 100 100 100 2.5-3.0 3.0=100 HG12 ILE 37 - HG3 ARG 23 far 0 68 0 - 8.7-22.1 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 1 assignment used, quality = 1.00: * QD1 LEU 43 + HG LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 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 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 32 - HG3 ARG 23 far 0 47 0 - 5.3-15.0 QD1 ILE 37 - HG3 ARG 23 far 0 44 0 - 6.9-19.5 HG12 ILE 129 - HG LEU 43 far 0 100 0 - 8.8-11.0 QD1 ILE 37 - HG LEU 43 far 0 73 0 - 9.1-9.8 QD2 LEU 96 - HG LEU 43 far 0 99 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 1374 from cnoeabs.peaks (8.33, 1.64, 27.00 ppm; 6.80 A): 3 out of 7 assignments used, quality = 1.00: * H GLU 44 + HG LEU 43 OK 100 100 100 100 4.3-4.7 6522=100, 6524/2.1=100...(10) H LYS 86 + HG3 ARG 84 OK 78 84 100 93 5.8-7.2 7098/4.6=79...(7) H LYS 86 + HG2 ARG 84 OK 77 84 100 92 4.5-6.3 7098/4.6=79...(5) H ALA 28 - HG3 ARG 23 far 7 68 10 - 6.3-17.2 H ALA 21 - HG3 ARG 23 poor 5 42 50 24 4.8-8.5 4.7/6165=10, 4.3/398=10 H GLY 17 - HG3 ARG 23 far 3 61 5 - 7.3-14.9 H LYS 19 - HG3 ARG 23 far 0 57 0 - 7.5-11.8 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 3.3-4.0 4.5=100 H GLU 40 + QD1 LEU 43 OK 99 99 100 100 3.2-5.3 10927=82, 2.8/9055=76...(26) H ASP 131 - QD1 LEU 43 far 4 89 5 - 5.0-6.7 H LEU 49 - QD1 LEU 43 far 0 92 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 1376 from cnoeabs.peaks (3.78, 0.70, 25.73 ppm; 4.52 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 43 + QD1 LEU 43 OK 100 100 100 100 3.5-3.9 4.1=100 HA SER 130 + QD1 LEU 43 OK 100 100 100 100 3.8-5.0 11747/2.1=86, ~11805=48...(30) HB3 SER 130 - QD1 LEU 43 far 10 99 10 - 4.4-6.0 HA VAL 133 - QD1 LEU 43 far 0 93 0 - 5.2-5.8 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 6 assignments used, quality = 1.00: * HB2 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.1-2.6 3.2=100 HD3 LYS 39 + QD1 LEU 43 OK 93 93 100 99 1.9-4.1 3.0/11901=61...(29) HG2 ARG 135 - QD1 LEU 43 far 0 89 0 - 6.8-9.2 HG13 ILE 129 - QD1 LEU 43 far 0 89 0 - 8.5-10.2 HG LEU 48 - QD1 LEU 43 far 0 93 0 - 8.9-10.5 HB ILE 80 - QD1 LEU 43 far 0 97 0 - 9.6-10.3 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 1 assignment used, quality = 1.00: * HB3 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.2-2.6 3.2=100 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 2 assignments used, quality = 1.00: * HG LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 88 - QD1 LEU 43 far 0 87 0 - 9.4-10.3 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 4 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 - 8.7-9.8 HG12 ILE 129 - QD1 LEU 43 far 0 100 0 - 9.0-10.2 QD2 LEU 96 - QD1 LEU 43 far 0 99 0 - 9.2-10.1 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 1 assignment used, quality = 1.00: * H GLU 44 + QD1 LEU 43 OK 100 100 100 100 4.2-4.7 6523=100, 6524/2.1=92...(13) Violated in 0 structures by 0.00 A. Peak 1383 from cnoeabs.peaks (8.29, 0.75, 22.33 ppm; 3.93 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.5-3.8 6510=100, 6508/2.1=76...(22) H ASP 131 + QD2 LEU 43 OK 85 89 100 96 4.0-4.5 3.6/11747=51...(9) H GLU 40 - QD2 LEU 43 far 0 99 0 - 5.6-6.2 H LEU 49 - QD2 LEU 43 far 0 92 0 - 8.5-9.0 H VAL 126 - QD2 LEU 43 far 0 100 0 - 8.9-9.6 H LEU 69 - QD2 LEU 43 far 0 97 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 1384 from cnoeabs.peaks (3.78, 0.75, 22.33 ppm; 2.87 A): 3 out of 4 assignments used, quality = 1.00: HA SER 130 + QD2 LEU 43 OK 97 100 100 97 1.8-2.3 11747=38, 3.0/11805=34...(27) * HA LEU 43 + QD2 LEU 43 OK 96 100 100 96 1.8-2.4 1345=49, 1344/2.1=36...(15) HB3 SER 130 + QD2 LEU 43 OK 89 99 95 95 3.0-3.5 1.8/11805=45, 10509=38...(25) HA VAL 133 - QD2 LEU 43 far 0 93 0 - 4.4-5.1 Violated in 0 structures by 0.00 A. Peak 1385 from cnoeabs.peaks (1.73, 0.75, 22.33 ppm; 3.62 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.2-3.2 3.2=100 HD3 LYS 39 - QD2 LEU 43 far 5 93 5 - 4.2-5.8 HG2 ARG 135 - QD2 LEU 43 far 0 89 0 - 6.3-8.2 HG13 ILE 129 - QD2 LEU 43 far 0 89 0 - 6.4-8.0 HG LEU 48 - QD2 LEU 43 far 0 93 0 - 8.1-9.6 HB ILE 80 - QD2 LEU 43 far 0 97 0 - 8.7-9.9 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 1 assignment used, quality = 1.00: * HB3 LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.1-3.2 3.2=100 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 3 assignments used, quality = 1.00: * HG LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 69 - QD2 LEU 43 far 0 68 0 - 8.0-8.9 QB ALA 88 - QD2 LEU 43 far 0 87 0 - 8.2-8.9 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 1 assignment used, quality = 1.00: * QD1 LEU 43 + QD2 LEU 43 OK 100 100 100 100 1.9-2.1 2.1=100 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; 4.90 A increased from 4.36 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + QD2 LEU 43 OK 100 100 100 100 4.4-4.7 6524=100, 3.6/1345=79...(12) H TYR 72 - QD2 LEU 43 far 0 97 0 - 8.8-10.2 H LYS 86 - QD2 LEU 43 far 0 99 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 1391 from cnoeabs.peaks (8.33, 4.05, 58.87 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 44 + HA GLU 44 OK 100 100 100 100 2.7-2.8 2.8=100 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 8 assignments used, quality = 1.00: * HB2 GLU 44 + HA GLU 44 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 GLU 40 - HA GLU 44 far 0 96 0 - 7.1-7.7 QE MET 11 - HA LEU 122 far 0 47 0 - 7.8-38.7 QE MET 11 - HA LEU 96 far 0 67 0 - 7.8-37.1 HB ILE 129 - HA LEU 122 far 0 42 0 - 7.9-9.6 HB ILE 129 - HA LEU 96 far 0 60 0 - 8.0-9.3 HB ILE 129 - HA GLU 44 far 0 81 0 - 9.4-11.2 HB3 PRO 117 - HA LEU 122 far 0 50 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 1394 from cnoeabs.peaks (2.08, 4.05, 58.87 ppm; 3.73 A): 1 out of 14 assignments used, quality = 1.00: * HB3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 126 - HA LEU 122 far 0 32 0 - 4.5-5.4 HB VAL 126 - HA LEU 96 far 0 47 0 - 6.1-6.8 HB2 LEU 62 - HA LEU 122 far 0 42 0 - 7.2-10.0 HB2 GLU 128 - HA LEU 122 far 0 60 0 - 7.4-7.9 HB2 GLU 128 - HA LEU 96 far 0 82 0 - 7.7-8.3 HB VAL 118 - HA LEU 122 far 0 42 0 - 7.8-8.5 HB2 GLU 102 - HA LEU 96 far 0 81 0 - 8.3-10.4 HB2 GLN 127 - HA LEU 122 far 0 42 0 - 8.6-9.3 HB2 GLU 102 - HA LEU 122 far 0 59 0 - 8.6-11.4 HG3 GLN 134 - HA GLU 44 far 0 100 0 - 8.8-11.2 HB VAL 118 - HA LEU 96 far 0 60 0 - 8.9-9.5 HB3 LYS 39 - HA GLU 44 far 0 100 0 - 8.9-10.1 HB2 LEU 62 - HA LEU 96 far 0 60 0 - 9.3-11.1 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 9 assignments used, quality = 1.00: * HG2 GLU 44 + HA GLU 44 OK 100 100 100 100 3.5-3.8 3.7=100 HG2 GLU 40 - HA GLU 44 far 0 76 0 - 6.3-8.9 HG2 GLU 102 - HA LEU 96 far 0 60 0 - 7.3-10.8 HG2 GLN 127 - HA LEU 122 far 0 47 0 - 7.5-9.9 HG2 GLU 102 - HA LEU 122 far 0 42 0 - 8.1-11.4 HG3 GLN 68 - HA GLU 44 far 0 93 0 - 8.4-9.3 HG2 GLN 127 - HA LEU 96 far 0 67 0 - 8.7-12.1 HB3 GLN 134 - HA GLU 44 far 0 99 0 - 9.1-11.9 HG2 GLN 127 - HA GLU 44 far 0 89 0 - 9.5-13.1 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 5 assignments used, quality = 1.00: * HG3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.4-4.0 3.7=100 HG3 GLN 127 - HA LEU 122 far 0 39 0 - 7.2-8.7 HG3 GLU 102 - HA LEU 96 far 0 72 0 - 8.2-9.7 HG3 GLU 102 - HA LEU 122 far 0 51 0 - 8.4-10.1 HG3 GLN 127 - HA LEU 96 far 0 55 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 1397 from cnoeabs.peaks (7.69, 4.05, 58.87 ppm; 4.41 A): 2 out of 6 assignments used, quality = 1.00: * H CYS 45 + HA GLU 44 OK 100 100 100 100 3.6-3.6 3.6=100 H LYS 95 + HA LEU 96 OK 24 65 40 93 4.9-5.1 7335/3.6=43, 9975/3.0=43...(17) H LYS 95 - HA LEU 122 far 0 46 0 - 6.7-7.7 H GLN 101 - HA LEU 96 far 0 78 0 - 7.0-7.4 H GLN 101 - HA LEU 122 far 0 56 0 - 7.9-8.9 H LEU 53 - HA LEU 122 far 0 32 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 1398 from cnoeabs.peaks (8.46, 4.05, 58.87 ppm; 4.42 A): 2 out of 7 assignments used, quality = 1.00: * H ASP 47 + HA GLU 44 OK 100 100 100 100 3.4-3.8 6563=100, 6571/1400=67...(9) H LEU 100 + HA LEU 96 OK 36 41 100 89 4.2-4.7 7388=32, 3.4/7372=27...(17) H LEU 100 - HA LEU 122 far 1 28 5 - 5.0-6.1 H VAL 93 - HA LEU 96 far 0 55 0 - 7.0-7.5 H LEU 70 - HA LEU 96 far 0 79 0 - 8.1-8.8 H VAL 93 - HA LEU 122 far 0 39 0 - 8.6-9.5 H LEU 70 - HA LEU 122 far 0 57 0 - 8.9-9.7 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 3.3-4.2 1471=97, 1.8/1400=88...(6) HB2 CYS 125 + HA LEU 96 OK 61 61 100 99 2.4-3.4 11655/3.0=42...(25) HB2 CYS 125 + HA LEU 122 OK 42 43 100 97 2.2-3.6 1.8/3994=45, 3988=38...(19) 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 1 assignment used, quality = 1.00: * HB3 ASP 47 + HA GLU 44 OK 100 100 100 100 2.8-3.5 1477=97, 1.8/1471=61...(6) Violated in 0 structures by 0.00 A. Peak 1401 from cnoeabs.peaks (3.91, 2.02, 28.31 ppm; 4.30 A increased from 4.05 A): 3 out of 10 assignments used, quality = 0.96: HA ALA 41 + HB3 GLU 40 OK 87 87 100 100 4.0-4.3 1280=79, 2.1/10932=71...(23) HA LYS 86 + HG2 ARG 90 OK 55 71 95 82 3.7-5.1 9818/9662=37...(8) * HA ALA 41 + HB2 GLU 44 OK 30 100 30 100 4.8-5.2 1409/1.8=90, 9064/3.0=53...(14) HA2 GLY 14 - HG2 ARG 90 far 0 92 0 - 5.6-37.1 HB2 SER 94 - HG2 ARG 90 far 0 94 0 - 5.8-7.2 HA3 GLY 14 - HG2 ARG 90 far 0 91 0 - 5.9-38.3 HA ALA 46 - HB2 GLU 44 far 0 93 0 - 7.7-7.9 HA LEU 70 - HG2 ARG 90 far 0 56 0 - 7.9-10.1 HA3 GLY 75 - HG2 ARG 90 far 0 94 0 - 8.5-10.5 HB3 SER 50 - HB2 GLU 44 far 0 81 0 - 9.8-12.4 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 7 assignments used, quality = 1.00: * H GLU 44 + HB2 GLU 44 OK 100 100 100 100 3.6-3.6 6526=97, 6527/1.8=82...(12) H GLU 44 - HB3 GLU 40 far 0 87 0 - 5.2-5.7 H LYS 86 - HG2 ARG 90 far 0 94 0 - 6.1-7.7 H GLY 17 - HG2 ARG 90 far 0 88 0 - 8.5-38.2 H LYS 19 - HG2 ARG 90 far 0 83 0 - 8.7-36.8 H ALA 21 - HG2 ARG 90 far 0 64 0 - 9.5-32.9 H TYR 72 - HG2 ARG 90 far 0 90 0 - 9.7-12.2 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 6 assignments used, quality = 1.00: * HA GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.4-2.6 3.0=100 HB2 SER 74 - HG2 ARG 90 far 0 77 0 - 6.1-9.0 HB3 SER 74 - HG2 ARG 90 far 0 75 0 - 6.7-9.0 HA GLU 44 - HB3 GLU 40 far 0 87 0 - 7.1-7.7 HA ILE 37 - HB3 GLU 40 far 0 48 0 - 7.2-7.7 HA ALA 92 - HG2 ARG 90 far 0 96 0 - 8.6-8.9 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 5 assignments used, quality = 1.00: * HB3 GLU 44 + HB2 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 39 - HB3 GLU 40 far 0 87 0 - 4.7-5.2 HB3 GLU 44 - HB3 GLU 40 far 0 87 0 - 5.7-6.4 HG3 GLN 134 - HB3 GLU 40 far 0 86 0 - 9.0-12.4 HB3 LYS 39 - HB2 GLU 44 far 0 100 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 1406 from cnoeabs.peaks (2.34, 2.02, 28.31 ppm; 3.80 A): 3 out of 7 assignments used, quality = 1.00: * HG2 GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.7-2.9 3.0=100 HB VAL 77 + HG2 ARG 90 OK 95 95 100 100 2.4-4.2 2.1/9662=70, 2.1/9652=63...(26) HG2 GLU 40 + HB3 GLU 40 OK 59 59 100 100 2.2-3.0 3.0=100 HG2 GLU 44 - HB3 GLU 40 poor 17 87 20 - 4.1-6.3 HG2 GLU 40 - HB2 GLU 44 far 0 76 0 - 5.7-9.3 HG3 GLN 68 - HB2 GLU 44 far 0 93 0 - 7.5-9.0 HB3 GLN 134 - HB3 GLU 40 far 0 83 0 - 9.3-12.5 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 4 assignments used, quality = 1.00: * HG3 GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.8-2.9 3.0=100 HG3 GLU 44 - HB3 GLU 40 far 0 87 0 - 4.6-5.4 HB2 ASP 78 - HG2 ARG 90 far 0 96 0 - 7.5-8.3 HG3 MET 11 - HG2 ARG 90 far 0 88 0 - 8.9-40.0 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 3.2-3.5 6539=100, 1416/1.8=82...(18) H CYS 45 - HB3 GLU 40 far 0 87 0 - 7.4-8.0 H LYS 95 - HG2 ARG 90 far 0 79 0 - 8.3-9.1 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 7 assignments used, quality = 1.00: * HA ALA 41 + HB3 GLU 44 OK 100 100 100 100 3.3-4.4 1281=99, 6515/6527=51...(16) HB2 SER 107 - HB2 GLU 102 far 0 72 0 - 7.3-10.7 HA ALA 46 - HB3 GLU 44 far 0 93 0 - 7.4-8.4 HB3 SER 50 - HB2 GLU 128 far 0 77 0 - 8.1-10.3 HA3 GLY 2 - HB2 GLU 102 far 0 67 0 - 8.1-62.6 HA2 GLY 2 - HB2 GLU 102 far 0 67 0 - 8.6-63.3 HA ALA 46 - HB2 GLU 128 far 0 90 0 - 8.7-9.6 Violated in 3 structures by 0.04 A. Peak 1410 from cnoeabs.peaks (8.33, 2.08, 28.31 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.4-2.7 6527=100, 1402/1.8=72...(15) H TYR 72 - HB3 GLU 44 far 0 97 0 - 9.6-11.5 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 12 assignments used, quality = 1.00: * HA GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 102 + HB2 GLU 102 OK 81 81 100 100 2.2-3.0 3.0=100 HA ALA 92 - HB2 GLU 128 far 0 98 0 - 5.0-6.1 HB3 SER 124 - HB2 GLU 128 far 0 81 0 - 6.3-7.0 HA LEU 122 - HB2 GLU 128 far 0 98 0 - 7.4-7.9 HA LEU 96 - HB2 GLU 128 far 0 96 0 - 7.7-8.3 HA LEU 119 - HB2 GLU 102 far 0 54 0 - 7.8-11.1 HA LEU 96 - HB2 GLU 102 far 0 78 0 - 8.3-10.4 HA ILE 37 - HB3 GLU 44 far 0 63 0 - 8.6-10.2 HA LEU 122 - HB2 GLU 102 far 0 81 0 - 8.6-11.4 HA LYS 95 - HB2 GLU 102 far 0 42 0 - 8.8-10.0 HA LYS 95 - HB2 GLU 128 far 0 56 0 - 9.8-10.2 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 11 assignments used, quality = 1.00: * HB2 GLU 44 + HB3 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 QE MET 11 - HB2 GLU 128 far 0 85 0 - 4.5-42.4 HB ILE 129 - HB2 GLU 128 far 0 77 0 - 5.4-6.6 HB3 GLU 40 - HB3 GLU 44 far 0 96 0 - 5.7-6.4 HG2 PRO 117 - HB2 GLU 102 far 0 40 0 - 5.8-8.7 HB3 PRO 117 - HB2 GLU 102 far 0 69 0 - 7.3-10.1 HG3 PRO 117 - HB2 GLU 102 far 0 46 0 - 7.5-10.2 HB2 GLU 91 - HB2 GLU 128 far 0 56 0 - 7.6-10.6 HB3 MET 11 - HB2 GLU 128 far 0 98 0 - 8.5-48.5 HB3 GLU 91 - HB2 GLU 128 far 0 95 0 - 8.6-10.5 HG3 ARG 135 - HB2 GLU 128 far 0 95 0 - 9.9-11.2 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 6 assignments used, quality = 1.00: * HG2 GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HG2 GLU 102 + HB2 GLU 102 OK 58 58 100 100 2.2-2.6 3.0=100 HG2 GLN 127 - HB2 GLU 128 poor 17 85 40 50 3.0-7.2 7846/3.6=18, 4081/3.0=12...(9) HG2 GLU 40 - HB3 GLU 44 far 0 76 0 - 4.4-8.1 HG3 GLN 68 - HB3 GLU 44 far 0 93 0 - 7.0-8.7 HB2 PRO 117 - HB2 GLU 102 far 0 52 0 - 8.6-11.5 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 4 assignments used, quality = 1.00: * HG3 GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 GLU 102 + HB2 GLU 102 OK 70 70 100 100 2.6-3.0 3.0=100 HG3 GLN 127 - HB2 GLU 128 far 0 72 0 - 4.5-7.2 HG3 MET 11 - HB2 GLU 128 far 0 91 0 - 9.1-48.6 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 2.3-3.9 6540=98, 6539/1.8=78...(20) H GLN 101 - HB2 GLU 102 far 0 76 0 - 5.1-6.0 H LYS 95 - HB2 GLU 128 far 0 83 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 1417 from cnoeabs.peaks (8.33, 2.34, 34.64 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.2-3.3 6528=100, 1424/1.8=82...(16) H TYR 72 - HG2 GLU 44 far 0 97 0 - 8.5-11.9 Violated in 0 structures by 0.00 A. Peak 1418 from cnoeabs.peaks (4.05, 2.34, 34.64 ppm; 3.76 A increased from 3.54 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 44 + HG2 GLU 44 OK 100 100 100 100 3.5-3.8 3.7=100 HA ILE 37 - HG2 GLU 44 far 0 63 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 1419 from cnoeabs.peaks (2.02, 2.34, 34.64 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.7-2.9 3.0=100 HB3 GLU 40 - HG2 GLU 44 far 0 96 0 - 4.1-6.3 HB ILE 129 - HG2 GLU 44 far 0 81 0 - 9.3-13.3 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 3 assignments used, quality = 1.00: * HB3 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 LYS 39 - HG2 GLU 44 far 0 100 0 - 7.8-8.9 HG3 GLN 134 - HG2 GLU 44 far 0 100 0 - 9.5-12.9 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 1 assignment used, quality = 1.00: * HG3 GLU 44 + HG2 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 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 1.7-4.6 1430/1.8=90, 6539/3.0=85...(16) 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 2 assignments used, quality = 1.00: * H GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.2-2.8 6529=99, 6528/1.8=68...(16) H TYR 72 - HG3 GLU 44 far 0 97 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 1425 from cnoeabs.peaks (4.05, 2.51, 34.64 ppm; 3.76 A): 2 out of 7 assignments used, quality = 1.00: * HA GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.4-4.0 3.7=100 HA GLU 102 + HG3 GLU 102 OK 80 80 100 100 2.8-3.8 3.7=100 HA LEU 119 - HG3 GLU 102 far 0 54 0 - 7.6-10.3 HA ILE 37 - HG3 GLU 44 far 0 63 0 - 7.8-10.4 HA LEU 96 - HG3 GLU 102 far 0 78 0 - 8.2-9.7 HA LEU 122 - HG3 GLU 102 far 0 80 0 - 8.4-10.1 HA LYS 95 - HG3 GLU 102 far 0 41 0 - 8.4-10.5 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 6 assignments used, quality = 1.00: * HB2 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.8-2.9 3.0=100 HB3 GLU 40 - HG3 GLU 44 far 0 96 0 - 4.6-5.4 HG2 PRO 117 - HG3 GLU 102 far 0 39 0 - 5.7-8.9 HG3 PRO 117 - HG3 GLU 102 far 0 46 0 - 7.2-10.5 HB3 PRO 117 - HG3 GLU 102 far 0 69 0 - 7.2-10.0 HB VAL 63 - HG3 GLU 102 far 0 80 0 - 9.9-11.8 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 8 assignments used, quality = 1.00: * HB3 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 GLU 102 + HG3 GLU 102 OK 80 80 100 100 2.6-3.0 3.0=100 HB VAL 118 - HG3 GLU 102 far 0 58 0 - 4.2-7.1 HG2 PRO 117 - HG3 GLU 102 far 0 52 0 - 5.7-8.9 HB3 LYS 39 - HG3 GLU 44 far 0 100 0 - 7.2-8.6 HG3 PRO 117 - HG3 GLU 102 far 0 46 0 - 7.2-10.5 HG3 GLN 134 - HG3 GLU 44 far 0 100 0 - 8.3-12.6 HB2 LEU 62 - HG3 GLU 102 far 0 58 0 - 9.2-12.2 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 6 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 GLU 40 - HG3 GLU 44 far 0 76 0 - 3.9-7.0 HG3 GLN 68 - HG3 GLU 44 far 0 93 0 - 7.6-10.7 HB2 PRO 117 - HG3 GLU 102 far 0 52 0 - 8.5-11.6 HB3 GLN 134 - HG3 GLU 44 far 0 99 0 - 8.8-13.2 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): 1 out of 2 assignments used, quality = 1.00: * H CYS 45 + HG3 GLU 44 OK 100 100 100 100 3.4-4.6 3.4/1424=75, 6539/3.0=75...(15) H GLN 101 - HG3 GLU 102 far 11 76 15 - 4.1-6.5 Violated in 0 structures by 0.00 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 2.8-2.8 2.8=100 H LEU 53 - HA CYS 45 far 0 65 0 - 10.0-10.8 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 3 assignments used, quality = 1.00: * HB2 CYS 45 + HA CYS 45 OK 100 100 100 100 2.6-3.0 3.0=100 HG CYS 73 - HA CYS 45 far 0 99 0 - 8.0-8.7 HE2 LYS 39 - HA CYS 45 far 0 97 0 - 9.9-13.5 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 1 assignment used, quality = 1.00: * HB3 CYS 45 + HA CYS 45 OK 100 100 100 100 2.3-2.6 3.0=100 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 1 assignment used, quality = 1.00: * H ALA 46 + HA CYS 45 OK 100 100 100 100 3.5-3.5 3.6=100 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 3 assignments used, quality = 1.00: * H LEU 48 + HA CYS 45 OK 100 100 100 100 3.2-3.5 6585/1438=74...(13) H ALA 52 - HA CYS 45 far 0 89 0 - 8.2-8.9 H SER 130 - HA CYS 45 far 0 97 0 - 9.2-10.2 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 4.4-4.7 1.8/1438=88...(14) 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 3 assignments used, quality = 1.00: * HB3 LEU 48 + HA CYS 45 OK 100 100 100 100 2.8-3.5 1.8/1437=75...(17) HB3 LEU 49 - HA CYS 45 far 0 78 0 - 7.7-8.4 HB2 GLU 40 - HA CYS 45 far 0 100 0 - 9.5-11.1 Violated in 0 structures by 0.00 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 2.9-3.4 1295=100, 1445/1.8=86...(10) 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 2.2-2.7 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 3 assignments used, quality = 1.00: * HA CYS 45 + HB2 CYS 45 OK 100 100 100 100 2.6-3.0 3.0=100 HA LEU 48 - HB2 CYS 45 far 0 95 0 - 7.8-8.0 HA LEU 49 - HB2 CYS 45 far 0 92 0 - 8.5-9.8 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 2 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 - 7.9-8.7 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 2.6-3.7 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 4.5-5.1 1295/1.8=99...(6) 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 3.5-3.6 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 3 assignments used, quality = 1.00: * HA CYS 45 + HB3 CYS 45 OK 100 100 100 100 2.3-2.6 3.0=100 HA LEU 48 - HB3 CYS 45 far 0 95 0 - 7.0-7.3 HA LEU 49 - HB3 CYS 45 far 0 92 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 2 assignments used, quality = 1.00: * HB2 CYS 45 + HB3 CYS 45 OK 100 100 100 100 1.8-1.8 1.8=100 HG CYS 73 - HB3 CYS 45 far 0 99 0 - 6.2-7.0 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 3.6-4.1 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 2.8-2.9 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 1 assignment used, quality = 1.00: * QB ALA 46 + HA ALA 46 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1454 from cnoeabs.peaks (8.46, 3.90, 55.49 ppm; 6.05 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 47 + HA ALA 46 OK 100 100 100 100 3.5-3.5 3.6=100 H LEU 70 - HA ALA 46 far 0 99 0 - 7.4-7.6 H VAL 132 - HA ALA 46 far 0 92 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 1455 from cnoeabs.peaks (8.30, 3.90, 55.49 ppm; 5.08 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 49 + HA ALA 46 OK 100 100 100 100 4.0-4.4 6593=75, 6573/3.6=63...(17) H LEU 69 - HA ALA 46 far 5 100 5 - 5.6-6.1 H VAL 126 - HA ALA 46 far 0 96 0 - 6.4-6.9 H LEU 43 - HA ALA 46 far 0 92 0 - 6.9-7.1 H TYR 72 - HA ALA 46 far 0 85 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 1457 from cnoeabs.peaks (1.92, 3.90, 55.49 ppm; 5.70 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 49 + HA ALA 46 OK 100 100 100 100 5.1-5.9 3.9/1455=73, 3.2/9209=58...(11) HB3 LEU 48 + HA ALA 46 OK 77 78 100 98 4.8-5.2 4.6/1455=65, 1438/4.8=54...(11) HG LEU 53 - HA ALA 46 far 0 83 0 - 8.1-10.4 HB3 LEU 123 - HA ALA 46 far 0 53 0 - 8.5-9.7 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 6 assignments used, quality = 1.00: * HA LEU 43 + QB ALA 46 OK 97 100 100 97 2.0-2.4 1348=56, 1345/9176=41...(13) HA SER 130 + QB ALA 46 OK 94 100 100 94 3.0-3.7 11747/9176=37...(15) HB3 SER 130 + QB ALA 46 OK 89 99 100 90 2.0-3.6 10508=45, 1.8/11718=43...(9) HA VAL 133 - QB ALA 46 far 0 93 0 - 7.5-7.7 HA ARG 90 - QB ALA 46 far 0 95 0 - 9.1-10.1 HA GLU 97 - QB ALA 46 far 0 85 0 - 10.0-10.4 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 3 assignments used, quality = 1.00: * H ALA 46 + QB ALA 46 OK 100 100 100 100 2.1-2.1 3.1=100 H HIS 4 - QB ALA 46 far 0 95 0 - 9.7-54.0 H ARG 90 - QB ALA 46 far 0 60 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 1460 from cnoeabs.peaks (3.90, 1.34, 16.76 ppm; 3.16 A): 1 out of 5 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 far 0 99 0 - 4.9-6.4 HA ALA 41 - QB ALA 46 far 0 93 0 - 7.4-7.6 HA LEU 70 - QB ALA 46 far 0 93 0 - 7.6-7.8 HA3 GLY 2 - QB ALA 46 far 0 100 0 - 9.1-58.7 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 4 assignments used, quality = 1.00: * H ASP 47 + QB ALA 46 OK 100 100 100 100 2.9-3.0 6568=100, 2.9/10901=36...(18) H VAL 132 - QB ALA 46 far 0 92 0 - 6.3-6.8 H LEU 70 - QB ALA 46 far 0 99 0 - 7.2-7.4 H VAL 93 - QB ALA 46 far 0 76 0 - 8.1-8.7 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 4 assignments used, quality = 1.00: * H ASP 47 + HA ASP 47 OK 100 100 100 100 2.9-2.9 2.9=100 H ASN 116 - HA ASN 59 far 0 48 0 - 6.5-7.8 H VAL 132 - HA GLN 134 far 0 79 0 - 7.0-7.2 H ALA 34 - HA LYS 24 far 0 51 0 - 8.2-16.2 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 2.5-2.9 3.0=100 HB2 ASN 85 - HA GLN 134 far 0 66 0 - 7.1-8.7 HB3 ASP 78 - HA LYS 24 far 0 59 0 - 7.3-19.6 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 5 assignments used, quality = 1.00: * HB3 ASP 47 + HA ASP 47 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 ASN 116 - HA ASN 59 far 0 50 0 - 5.6-6.8 HB3 ASP 131 - HA GLN 134 far 0 63 0 - 7.5-7.9 HB3 ASN 85 - HA GLN 134 far 0 72 0 - 7.8-8.5 HB3 ASP 71 - HA LYS 24 far 0 48 0 - 9.4-24.4 Violated in 0 structures by 0.00 A. Peak 1467 from cnoeabs.peaks (8.04, 4.34, 56.63 ppm; 3.71 A increased from 3.49 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 48 + HA ASP 47 OK 100 100 100 100 3.5-3.5 3.6=100 H SER 130 - HA ASP 47 far 0 97 0 - 6.4-7.3 H ALA 52 - HA ASP 47 far 0 89 0 - 6.5-6.9 H CYS 79 - HA LYS 24 far 0 84 0 - 7.2-22.3 H SER 130 - HA GLN 134 far 0 86 0 - 8.4-9.4 H VAL 20 - HA LYS 24 far 0 67 0 - 8.5-11.5 H CYS 125 - HA ASP 47 far 0 100 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 1468 from cnoeabs.peaks (8.66, 4.34, 56.63 ppm; 4.83 A): 2 out of 4 assignments used, quality = 1.00: * H SER 50 + HA ASP 47 OK 100 100 100 100 3.6-3.9 3.9/1469=61, 6590/3.6=61...(11) H SER 60 + HA ASN 59 OK 51 51 100 100 3.5-3.5 3.6=100 H LYS 39 - HA GLN 134 far 0 54 0 - 7.8-8.8 H HIS 8 - HA LYS 24 far 0 84 0 - 9.7-41.7 Violated in 0 structures by 0.00 A. Peak 1469 from cnoeabs.peaks (3.84, 4.34, 56.63 ppm; 4.67 A): 2 out of 11 assignments used, quality = 0.99: * HB2 SER 50 + HA ASP 47 OK 99 100 100 99 2.9-4.4 1596=77, 1.8/1602=76...(7) HB2 SER 130 + HA ASP 47 OK 46 90 65 78 4.8-6.4 11718/10901=38, 1596=26...(8) HA LEU 62 - HA ASN 59 far 0 50 0 - 5.3-5.8 HB2 SER 130 - HA GLN 134 far 0 78 0 - 6.4-9.2 HD2 PRO 81 - HA GLN 134 far 0 81 0 - 6.6-7.7 HA LEU 123 - HA ASP 47 far 0 97 0 - 6.9-8.0 HD3 PRO 58 - HA ASN 59 far 0 40 0 - 7.0-7.0 HA GLU 40 - HA GLN 134 far 0 90 0 - 7.7-8.7 HB3 SER 33 - HA LYS 24 far 0 74 0 - 8.8-18.2 HA VAL 118 - HA ASN 59 far 0 35 0 - 8.8-10.2 HA GLU 40 - HA ASP 47 far 0 100 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 1470 from cnoeabs.peaks (3.89, 4.34, 56.63 ppm; 5.94 A): 2 out of 9 assignments used, quality = 1.00: * HB3 SER 50 + HA ASP 47 OK 100 100 100 100 2.6-4.8 1602=100, 1.8/1596=77...(8) HA ALA 46 + HA ASP 47 OK 99 99 100 100 4.7-4.7 ~6568=80, ~1462=79...(12) HB2 SER 60 - HA ASN 59 poor 15 38 75 54 5.6-6.6 4.6/6749=47, 1912/6780=6 HB3 SER 60 - HA ASN 59 poor 12 38 60 54 5.6-6.6 4.6/6749=47, 1912/6780=6 HA3 GLY 2 - HA ASP 47 far 0 100 0 - 6.8-72.7 HA2 GLY 114 - HA ASN 59 far 0 51 0 - 7.6-10.5 HA2 GLY 2 - HA ASP 47 far 0 100 0 - 8.1-72.7 HB2 SER 33 - HA LYS 24 far 0 57 0 - 8.1-18.4 HA LEU 70 - HA LYS 24 far 0 81 0 - 9.0-25.7 Violated in 0 structures by 0.00 A. Peak 1471 from cnoeabs.peaks (4.05, 2.72, 39.77 ppm; 4.37 A increased from 3.89 A): 1 out of 2 assignments used, quality = 0.99: * HA GLU 44 + HB2 ASP 47 OK 99 100 100 99 3.3-4.2 1400/1.8=90...(6) HB THR 65 - HB2 ASP 47 far 0 89 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 1472 from cnoeabs.peaks (8.46, 2.72, 39.77 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 47 + HB2 ASP 47 OK 100 100 100 100 2.5-3.3 6570=100, 6571/1.8=80...(7) 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 2 assignments used, quality = 1.00: * HA ASP 47 + HB2 ASP 47 OK 100 100 100 100 2.5-2.9 3.0=100 HA LEU 69 - HB2 ASP 47 far 0 96 0 - 9.8-10.7 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 1 assignment used, quality = 1.00: * HB3 ASP 47 + HB2 ASP 47 OK 100 100 100 100 1.8-1.8 1.8=100 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 3 assignments used, quality = 1.00: * H LEU 48 + HB2 ASP 47 OK 100 100 100 100 2.8-4.0 6581=100, 6582/1.8=83...(7) H ALA 52 - HB2 ASP 47 far 0 89 0 - 6.7-8.4 H SER 130 - HB2 ASP 47 far 0 97 0 - 7.1-9.8 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 2 assignments used, quality = 1.00: * HA GLU 44 + HB3 ASP 47 OK 100 100 100 100 2.8-3.5 1400=100, 1471/1.8=63...(6) HB THR 65 - HB3 ASP 47 far 0 89 0 - 9.5-10.3 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 1 assignment used, quality = 1.00: * H ASP 47 + HB3 ASP 47 OK 100 100 100 100 2.1-2.6 6571=100, 6570/1.8=77...(7) 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 2 assignments used, quality = 1.00: * HA ASP 47 + HB3 ASP 47 OK 100 100 100 100 2.8-3.0 3.0=100 HA LEU 69 - HB3 ASP 47 far 0 96 0 - 9.4-9.9 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 3 assignments used, quality = 1.00: * H LEU 48 + HB3 ASP 47 OK 100 100 100 100 2.6-3.3 6582=100, 6581/1.8=79...(9) H ALA 52 - HB3 ASP 47 far 0 89 0 - 7.2-8.5 H SER 130 - HB3 ASP 47 far 0 97 0 - 7.6-9.4 Violated in 0 structures by 0.00 A. Peak 1483 from cnoeabs.peaks (8.04, 4.11, 57.99 ppm; 4.09 A): 3 out of 6 assignments used, quality = 1.00: * H LEU 48 + HA LEU 48 OK 100 100 100 100 2.7-2.8 2.9=100 H ALA 52 + HA LEU 48 OK 85 89 100 95 3.7-4.4 9227/3.8=43, 4.6/1621=42...(12) H ALA 52 + HA LEU 49 OK 52 53 100 98 3.2-3.6 2.9/1631=39, 6645/3.6=32...(22) H LEU 48 - HA LEU 49 far 0 66 0 - 5.5-5.7 H CYS 125 - HA LEU 49 far 0 66 0 - 9.0-9.8 H ALA 16 - HA LEU 98 far 0 88 0 - 9.3-44.2 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 10 assignments used, quality = 1.00: * HB2 LEU 48 + HA LEU 48 OK 100 100 100 100 2.5-2.7 3.0=100 HB3 LEU 98 + HA LEU 98 OK 98 98 100 100 2.2-2.7 3.0=100 HB2 LEU 48 + HA LEU 49 OK 65 66 100 98 3.8-4.2 6598/2.9=51, ~6600=21...(26) HB3 LEU 103 + HA GLN 104 OK 40 48 85 98 4.2-4.5 7488/3.0=55...(19) HB3 LEU 122 - HA LEU 49 far 0 58 0 - 5.8-9.0 HG LEU 100 - HA LEU 98 far 0 98 0 - 6.7-7.2 HB3 LEU 122 - HA LEU 98 far 0 91 0 - 7.2-10.8 HB3 LEU 103 - HA LEU 98 far 0 92 0 - 7.9-8.8 HG LEU 100 - HA GLN 104 far 0 54 0 - 8.0-8.7 HG LEU 100 - HA LEU 49 far 0 66 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 1486 from cnoeabs.peaks (1.89, 4.11, 57.99 ppm; 3.70 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 48 + HA LEU 48 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 LEU 49 + HA LEU 49 OK 45 45 100 100 2.4-2.6 3.0=100 HB3 LEU 48 - HA LEU 49 poor 17 66 25 - 4.2-4.8 HB3 LEU 123 - HA LEU 49 far 0 49 0 - 5.2-6.6 HB3 LEU 49 - HA LEU 48 far 0 78 0 - 6.5-6.6 HB3 LEU 123 - HA LEU 48 far 0 85 0 - 8.6-10.3 HB3 LEU 119 - HA LEU 49 far 0 45 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 1487 from cnoeabs.peaks (1.71, 4.11, 57.99 ppm; 3.95 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 48 + HA LEU 48 OK 100 100 100 100 2.4-3.2 3.7=100 HG LEU 98 + HA LEU 98 OK 98 98 100 100 2.9-3.7 3.7=100 HG LEU 48 - HA LEU 49 far 0 66 0 - 6.5-6.5 HB3 LEU 70 - HA LEU 98 far 0 98 0 - 9.3-10.0 HB2 LEU 70 - HA LEU 98 far 0 98 0 - 9.4-9.8 HB2 LEU 43 - HA LEU 48 far 0 93 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 1488 from cnoeabs.peaks (0.91, 4.11, 57.99 ppm; 3.51 A): 4 out of 20 assignments used, quality = 1.00: * QD2 LEU 48 + HA LEU 48 OK 100 100 100 100 1.9-2.6 3.8=78, 10961/1615=32...(22) QD1 LEU 48 + HA LEU 48 OK 91 92 100 99 3.8-3.8 4.0=65, 2.1/3193=49...(22) QD1 LEU 49 + HA LEU 49 OK 65 66 100 99 3.4-3.5 1581=69, 2.1/1573=59...(14) QG2 VAL 63 + HA GLN 104 OK 54 54 100 99 2.0-2.8 11811/3.0=39...(21) QD1 LEU 49 - HA LEU 48 far 0 100 0 - 4.7-5.4 QD1 LEU 62 - HA LEU 49 far 0 65 0 - 4.7-5.5 QD2 LEU 48 - HA LEU 49 far 0 66 0 - 4.8-5.6 QD1 LEU 123 - HA LEU 49 far 0 50 0 - 5.1-6.0 QD1 LEU 48 - HA LEU 49 far 0 56 0 - 5.4-5.7 QD2 LEU 123 - HA LEU 49 far 0 41 0 - 5.9-6.7 QG1 VAL 118 - HA GLN 104 far 0 51 0 - 6.1-6.3 QG1 VAL 118 - HA LEU 98 far 0 95 0 - 6.2-7.0 QD1 LEU 62 - HA GLN 104 far 0 53 0 - 7.4-8.1 QD1 LEU 123 - HA LEU 48 far 0 85 0 - 7.5-8.0 QG2 VAL 63 - HA LEU 49 far 0 66 0 - 7.8-8.3 QD2 LEU 123 - HA LEU 48 far 0 73 0 - 8.2-9.0 QD1 LEU 62 - HA LEU 48 far 0 100 0 - 8.5-9.1 QG1 VAL 118 - HA LEU 49 far 0 62 0 - 8.6-9.4 QG2 VAL 63 - HA LEU 98 far 0 98 0 - 9.0-9.8 QG2 VAL 112 - HA GLN 104 far 0 45 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 1489 from cnoeabs.peaks (0.92, 4.11, 57.99 ppm; 3.42 A): 4 out of 22 assignments used, quality = 1.00: * QD1 LEU 48 + HA LEU 48 OK 99 100 100 99 3.8-3.8 4.0=61, 2.1/3193=47...(22) QD2 LEU 48 + HA LEU 48 OK 91 92 100 99 1.9-2.6 3.8=72, ~6586=27...(21) QD1 LEU 49 + HA LEU 49 OK 59 60 100 98 3.4-3.5 1581=66, 2.1/1573=56...(15) QG2 VAL 63 + HA GLN 104 OK 47 47 100 99 2.0-2.8 11521/3.9=36...(21) QD1 LEU 49 - HA LEU 48 far 0 97 0 - 4.7-5.4 QD1 LEU 62 - HA LEU 49 far 0 61 0 - 4.7-5.5 QD2 LEU 48 - HA LEU 49 far 0 56 0 - 4.8-5.6 QD1 LEU 123 - HA LEU 49 far 0 66 0 - 5.1-6.0 QD1 LEU 48 - HA LEU 49 far 0 66 0 - 5.4-5.7 QG1 VAL 118 - HA GLN 104 far 0 33 0 - 6.1-6.3 QG1 VAL 118 - HA LEU 98 far 0 69 0 - 6.2-7.0 QG1 VAL 57 - HA LEU 49 far 0 40 0 - 6.2-7.2 QG1 VAL 57 - HA LEU 48 far 0 71 0 - 7.3-8.1 QD1 LEU 62 - HA GLN 104 far 0 50 0 - 7.4-8.1 QD1 LEU 123 - HA LEU 48 far 0 100 0 - 7.5-8.0 QG2 VAL 63 - HA LEU 49 far 0 58 0 - 7.8-8.3 QD1 LEU 119 - HA GLN 104 far 0 41 0 - 8.1-9.1 QD1 LEU 62 - HA LEU 48 far 0 97 0 - 8.5-9.1 QG1 VAL 118 - HA LEU 49 far 0 41 0 - 8.6-9.4 QG2 VAL 63 - HA LEU 98 far 0 91 0 - 9.0-9.8 QG2 VAL 112 - HA GLN 104 far 0 54 0 - 9.1-10.1 QD1 LEU 119 - HA LEU 49 far 0 51 0 - 9.2-9.7 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 9 assignments used, quality = 1.00: * H LEU 49 + HA LEU 48 OK 100 100 100 100 3.6-3.6 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 2.7-2.7 2.9=100 H ALA 110 - HA GLN 104 far 0 54 0 - 6.6-10.3 H LEU 96 - HA LEU 98 far 0 59 0 - 6.8-7.0 H VAL 126 - HA LEU 49 far 0 59 0 - 7.6-8.2 H LEU 69 - HA LEU 49 far 0 66 0 - 7.7-8.5 H GLY 111 - HA GLN 104 far 0 54 0 - 8.4-10.9 H LEU 69 - HA LEU 48 far 0 100 0 - 9.4-9.9 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 6 assignments used, quality = 1.00: * H SER 51 + HA LEU 48 OK 100 100 100 100 3.5-3.7 1616/1615=64...(19) H SER 51 + HA LEU 49 OK 65 66 100 98 3.9-4.3 6610/2.9=67, ~6619=34...(13) H ASP 64 - HA GLN 104 far 0 32 0 - 6.2-7.3 H ASP 64 - HA LEU 49 far 0 40 0 - 8.2-8.7 H SER 94 - HA LEU 98 far 0 96 0 - 8.4-9.2 H VAL 57 - HA LEU 49 far 0 43 0 - 9.4-10.1 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 15 assignments used, quality = 1.00: * HB2 SER 51 + HA LEU 48 OK 100 100 100 100 2.4-3.5 1615=92, 1.8/1621=77...(9) HB3 SER 107 - HA GLN 104 poor 16 41 100 38 2.0-4.5 7481/3.0=18...(5) HB2 SER 107 - HA GLN 104 poor 9 39 95 25 2.8-4.6 ~7481=14, 10858=8, ~3489=4 HB2 SER 51 - HA LEU 49 far 0 66 0 - 5.1-5.4 HA THR 65 - HA LEU 49 far 0 34 0 - 5.8-6.6 HA LEU 100 - HA GLN 104 far 0 40 0 - 6.1-6.5 HA LEU 100 - HA LEU 98 far 0 81 0 - 6.4-6.9 HB2 SER 106 - HA GLN 104 far 0 33 0 - 6.5-7.8 HB3 SER 94 - HA LEU 98 far 0 54 0 - 6.9-8.3 HA THR 65 - HA LEU 48 far 0 63 0 - 7.3-7.9 HA GLN 127 - HA LEU 49 far 0 36 0 - 8.0-8.8 HA GLN 127 - HA LEU 48 far 0 65 0 - 8.6-9.5 HA2 GLY 111 - HA GLN 104 far 0 49 0 - 9.1-11.7 HA LEU 100 - HA LEU 49 far 0 50 0 - 9.9-10.6 HB2 SER 106 - HA LEU 98 far 0 69 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 1493 from cnoeabs.peaks (3.98, 4.11, 57.99 ppm; 3.72 A): 1 out of 19 assignments used, quality = 0.97: * HB3 SER 51 + HA LEU 48 OK 97 100 100 97 3.2-4.0 1621=86, 1.8/1615=64...(8) HB3 SER 107 - HA GLN 104 poor 12 37 90 34 2.0-4.5 7481/3.0=15...(5) HA SER 60 - HA GLN 104 lone 3 28 90 12 3.2-4.6 10978/10979=12 HA SER 50 - HA LEU 49 far 0 56 0 - 4.8-4.9 HA THR 65 - HA LEU 49 far 0 60 0 - 5.8-6.6 HB3 SER 51 - HA LEU 49 far 0 66 0 - 6.0-6.7 HB3 SER 99 - HA LEU 98 far 0 69 0 - 6.1-6.6 HA LEU 100 - HA GLN 104 far 0 39 0 - 6.1-6.5 HB3 SER 106 - HA GLN 104 far 0 54 0 - 6.3-8.3 HA LEU 100 - HA LEU 98 far 0 79 0 - 6.4-6.9 HB2 SER 106 - HA GLN 104 far 0 45 0 - 6.5-7.8 HA SER 50 - HA LEU 48 far 0 92 0 - 6.8-6.9 HB3 SER 94 - HA LEU 98 far 0 95 0 - 6.9-8.3 HA THR 65 - HA LEU 48 far 0 97 0 - 7.3-7.9 HA GLN 127 - HA LEU 49 far 0 59 0 - 8.0-8.8 HA GLN 127 - HA LEU 48 far 0 96 0 - 8.6-9.5 HB3 SER 99 - HA GLN 104 far 0 33 0 - 9.2-10.8 HA LEU 100 - HA LEU 49 far 0 48 0 - 9.9-10.6 HB2 SER 106 - HA LEU 98 far 0 88 0 - 9.9-13.7 Violated in 3 structures by 0.03 A. Peak 1494 from cnoeabs.peaks (4.12, 1.78, 41.65 ppm; 4.11 A): 4 out of 13 assignments used, quality = 1.00: * HA CYS 45 + HB2 LEU 48 OK 95 100 95 100 4.4-4.7 1438/1.8=72, 1437=70...(14) HA LEU 48 + HB2 LEU 48 OK 95 95 100 100 2.5-2.7 3.0=100 HA LEU 49 + HB2 LEU 48 OK 91 92 100 99 3.8-4.2 2.9/6598=60, ~6600=26...(26) HA LEU 98 + HB3 LEU 98 OK 85 85 100 100 2.2-2.7 3.0=100 HA GLN 101 - HB3 LEU 103 far 0 53 0 - 5.2-5.4 HA LEU 49 - HB3 LEU 122 far 0 51 0 - 5.8-9.0 HA ALA 52 - HB2 LEU 48 far 0 97 0 - 6.3-6.9 HA LEU 98 - HB3 LEU 122 far 0 49 0 - 7.2-10.8 HA GLN 101 - HB3 LEU 98 far 0 79 0 - 7.6-8.2 HA LEU 98 - HB3 LEU 103 far 0 58 0 - 7.9-8.8 HA GLN 101 - HB3 LEU 122 far 0 45 0 - 8.5-11.3 HA3 GLY 114 - HB3 LEU 122 far 0 61 0 - 9.0-13.1 HA ALA 52 - HB3 LEU 122 far 0 56 0 - 9.6-13.2 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 4 assignments used, quality = 1.00: * H LEU 48 + HB2 LEU 48 OK 100 100 100 100 3.5-3.6 3.9=100 H ALA 52 + HB2 LEU 48 OK 51 89 65 88 4.4-4.9 9227/3.1=50, 1483/3.0=21...(16) H CYS 125 - HB3 LEU 122 far 0 61 0 - 5.2-5.6 H ALA 52 - HB3 LEU 122 far 0 48 0 - 8.3-12.0 Violated in 0 structures by 0.00 A. Peak 1496 from cnoeabs.peaks (4.11, 1.78, 41.65 ppm; 4.15 A): 5 out of 14 assignments used, quality = 1.00: * HA LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.5-2.7 3.0=100 HA LEU 49 + HB2 LEU 48 OK 99 100 100 99 3.8-4.2 2.9/6598=61...(26) HA LEU 98 + HB3 LEU 98 OK 97 97 100 100 2.2-2.7 3.0=100 HA CYS 45 + HB2 LEU 48 OK 94 95 100 100 4.4-4.7 1438/1.8=67, 1437=66...(14) HA GLN 104 + HB3 LEU 103 OK 51 51 100 99 4.2-4.5 3.0/7488=63, 11431=33...(18) HA GLN 101 - HB3 LEU 103 far 0 69 0 - 5.2-5.4 HA LEU 49 - HB3 LEU 122 far 0 61 0 - 5.8-9.0 HA ALA 52 - HB2 LEU 48 far 0 76 0 - 6.3-6.9 HA LEU 98 - HB3 LEU 122 far 0 60 0 - 7.2-10.8 HA GLN 101 - HB3 LEU 98 far 0 96 0 - 7.6-8.2 HA LEU 98 - HB3 LEU 103 far 0 70 0 - 7.9-8.8 HA GLN 101 - HB3 LEU 122 far 0 59 0 - 8.5-11.3 HA3 GLY 114 - HB3 LEU 122 far 0 51 0 - 9.0-13.1 HA ALA 52 - HB3 LEU 122 far 0 39 0 - 9.6-13.2 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 10 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 - HB3 LEU 122 far 4 41 10 - 3.9-6.9 HB3 LEU 123 - HB3 LEU 122 far 0 45 0 - 4.4-6.3 HB3 LEU 49 - HB2 LEU 48 far 0 78 0 - 5.7-6.2 HB3 LEU 119 - HB3 LEU 122 far 0 41 0 - 6.2-7.7 HB3 LEU 119 - HB3 LEU 103 far 0 48 0 - 8.1-9.2 HB3 LEU 123 - HB2 LEU 48 far 0 85 0 - 9.0-10.4 HB3 LEU 48 - HB3 LEU 122 far 0 61 0 - 9.3-11.9 HB3 LEU 49 - HB3 LEU 103 far 0 48 0 - 9.6-10.5 HB3 LEU 123 - HB3 LEU 103 far 0 53 0 - 10.0-11.6 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 5 assignments used, quality = 1.00: * HG LEU 48 + HB2 LEU 48 OK 100 100 100 100 3.0-3.0 3.0=100 HG LEU 98 + HB3 LEU 98 OK 97 97 100 100 2.6-3.0 3.0=100 HG LEU 98 - HB3 LEU 103 far 0 70 0 - 8.6-11.6 HG LEU 98 - HB3 LEU 122 far 0 60 0 - 8.7-11.9 HB3 LEU 70 - HB3 LEU 122 far 0 61 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 1500 from cnoeabs.peaks (0.91, 1.78, 41.65 ppm; 3.98 A): 6 out of 22 assignments used, quality = 1.00: * QD2 LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.0-2.4 3.1=100 QD1 LEU 49 + HB2 LEU 48 OK 96 100 100 96 3.3-4.2 10966/10991=40...(19) QD1 LEU 48 + HB2 LEU 48 OK 92 92 100 100 2.2-2.6 3.1=100 QG2 VAL 63 + HB3 LEU 103 OK 70 70 100 99 2.1-3.2 11811/7488=40...(22) QG1 VAL 118 + HB3 LEU 103 OK 66 66 100 100 2.7-3.2 11836/3.0=65, ~10263=52...(27) QG1 VAL 118 + HB3 LEU 122 OK 39 57 75 91 3.7-4.7 11748/3.5=42...(15) QD1 LEU 62 - HB3 LEU 122 poor 12 60 40 51 3.8-6.7 10954/3764=33...(8) QD1 LEU 49 - HB3 LEU 122 far 0 60 0 - 5.3-7.0 QD1 LEU 123 - HB3 LEU 122 far 0 45 0 - 5.4-6.9 QD2 LEU 123 - HB3 LEU 122 far 0 37 0 - 5.8-7.4 QG1 VAL 118 - HB3 LEU 98 far 0 94 0 - 5.9-7.6 QD1 LEU 62 - HB3 LEU 103 far 0 69 0 - 6.0-6.6 QG2 VAL 63 - HB3 LEU 122 far 0 61 0 - 6.3-7.1 QD1 LEU 62 - HB2 LEU 48 far 0 100 0 - 7.8-8.4 QD1 LEU 123 - HB2 LEU 48 far 0 85 0 - 7.8-8.6 QD1 LEU 49 - HB3 LEU 103 far 0 70 0 - 8.6-9.6 QD2 LEU 123 - HB2 LEU 48 far 0 73 0 - 8.9-9.5 QG2 VAL 63 - HB2 LEU 48 far 0 100 0 - 9.6-10.2 QD2 LEU 48 - HB3 LEU 122 far 0 61 0 - 9.7-12.1 QD1 LEU 48 - HB3 LEU 122 far 0 51 0 - 9.8-11.5 QG2 VAL 63 - HB3 LEU 98 far 0 97 0 - 9.9-11.4 QG2 VAL 112 - HB3 LEU 103 far 0 59 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 1501 from cnoeabs.peaks (0.92, 1.78, 41.65 ppm; 3.84 A): 5 out of 24 assignments used, quality = 1.00: * QD1 LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.2-2.6 3.1=100 QD2 LEU 48 + HB2 LEU 48 OK 92 92 100 100 2.0-2.4 3.1=100 QD1 LEU 49 + HB2 LEU 48 OK 91 97 100 94 3.3-4.2 4.7/6598=35...(18) QG2 VAL 63 + HB3 LEU 103 OK 61 62 100 98 2.1-3.2 11811/7488=34, ~10972=28...(21) QG1 VAL 118 + HB3 LEU 103 OK 44 44 100 100 2.7-3.2 11836/3.0=57, ~10263=48...(27) QG1 VAL 118 - HB3 LEU 122 poor 20 37 65 81 3.7-4.7 11748/3.5=26...(15) QD1 LEU 62 - HB3 LEU 122 poor 17 56 30 - 3.8-6.7 QD1 LEU 49 - HB3 LEU 122 far 0 55 0 - 5.3-7.0 QD1 LEU 123 - HB3 LEU 122 far 0 60 0 - 5.4-6.9 QG1 VAL 118 - HB3 LEU 98 far 0 68 0 - 5.9-7.6 QD1 LEU 62 - HB3 LEU 103 far 0 65 0 - 6.0-6.6 QG2 VAL 63 - HB3 LEU 122 far 0 53 0 - 6.3-7.1 QD1 LEU 119 - HB3 LEU 103 far 0 55 0 - 6.6-7.9 QG1 VAL 57 - HB2 LEU 48 far 0 71 0 - 6.7-7.6 QD1 LEU 119 - HB3 LEU 122 far 0 47 0 - 6.8-7.8 QD1 LEU 62 - HB2 LEU 48 far 0 97 0 - 7.8-8.4 QD1 LEU 123 - HB2 LEU 48 far 0 100 0 - 7.8-8.6 QD1 LEU 49 - HB3 LEU 103 far 0 64 0 - 8.6-9.6 QG1 VAL 57 - HB3 LEU 122 far 0 36 0 - 9.5-12.2 QG2 VAL 63 - HB2 LEU 48 far 0 95 0 - 9.6-10.2 QD2 LEU 48 - HB3 LEU 122 far 0 51 0 - 9.7-12.1 QD1 LEU 48 - HB3 LEU 122 far 0 61 0 - 9.8-11.5 QG2 VAL 63 - HB3 LEU 98 far 0 89 0 - 9.9-11.4 QG2 VAL 112 - HB3 LEU 103 far 0 71 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 1502 from cnoeabs.peaks (8.30, 1.78, 41.65 ppm; 4.34 A): 3 out of 12 assignments used, quality = 1.00: * H LEU 49 + HB2 LEU 48 OK 100 100 100 100 2.6-3.1 6598=100, 6589/6584=65...(22) H SER 99 + HB3 LEU 98 OK 92 92 100 100 3.0-4.2 4.6=83, 3166/1.8=75...(18) H VAL 126 + HB3 LEU 122 OK 25 54 50 93 4.7-5.5 10405/1.8=61...(11) H SER 99 - HB3 LEU 122 far 3 55 5 - 3.9-7.5 H LEU 96 - HB3 LEU 122 far 0 31 0 - 6.0-8.4 H LEU 96 - HB3 LEU 98 far 0 58 0 - 6.6-7.1 H SER 99 - HB3 LEU 103 far 0 64 0 - 6.8-7.4 H LEU 49 - HB3 LEU 122 far 0 61 0 - 7.4-9.9 H LEU 69 - HB2 LEU 48 far 0 100 0 - 7.5-8.2 H ALA 110 - HB3 LEU 103 far 0 70 0 - 8.8-13.2 H LEU 69 - HB3 LEU 122 far 0 60 0 - 9.0-9.5 H GLY 111 - HB3 LEU 103 far 0 71 0 - 10.0-13.2 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 4 assignments used, quality = 1.00: * HA CYS 45 + HB3 LEU 48 OK 100 100 100 100 2.8-3.5 1438=100, 1437/1.8=81...(17) HA LEU 48 + HB3 LEU 48 OK 95 95 100 100 2.9-3.0 3.0=100 HA LEU 49 + HB3 LEU 48 OK 92 92 100 100 4.2-4.8 ~6598=52, 2.9/6599=41...(26) HA ALA 52 - HB3 LEU 48 far 0 97 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 1504 from cnoeabs.peaks (8.04, 1.89, 41.65 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.2-2.6 3.9=100 H ALA 52 - HB3 LEU 48 far 0 89 0 - 5.4-6.1 H SER 130 - HB3 LEU 48 far 0 97 0 - 9.7-10.5 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 4 assignments used, quality = 1.00: * HA LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.9-3.0 3.0=100 HA LEU 49 + HB3 LEU 48 OK 100 100 100 100 4.2-4.8 ~6598=53, 2.9/6599=42...(27) HA CYS 45 + HB3 LEU 48 OK 95 95 100 100 2.8-3.5 1438=91, 1437/1.8=74...(17) HA ALA 52 - HB3 LEU 48 far 0 76 0 - 7.6-8.4 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 HB3 LEU 122 - HB3 LEU 48 far 0 95 0 - 9.3-11.9 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 2.4-2.6 3.0=100 HB2 LEU 43 - HB3 LEU 48 far 0 93 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 1509 from cnoeabs.peaks (0.91, 1.89, 41.65 ppm; 4.43 A): 3 out of 6 assignments used, quality = 1.00: * QD2 LEU 48 + HB3 LEU 48 OK 100 100 100 100 3.1-3.2 3.1=100 QD1 LEU 49 + HB3 LEU 48 OK 96 100 100 96 2.4-3.6 10966/9201=38, 1583=28...(17) QD1 LEU 48 + HB3 LEU 48 OK 92 92 100 100 2.1-2.4 3.1=100 QD1 LEU 123 - HB3 LEU 48 far 0 85 0 - 7.8-8.5 QD1 LEU 62 - HB3 LEU 48 far 0 100 0 - 8.3-9.3 QD2 LEU 123 - HB3 LEU 48 far 0 73 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 1510 from cnoeabs.peaks (0.92, 1.89, 41.65 ppm; 4.41 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.1-2.4 3.1=100 QD1 LEU 49 + HB3 LEU 48 OK 92 97 100 96 2.4-3.6 10966/9201=35, 1583=27...(17) QD2 LEU 48 + HB3 LEU 48 OK 92 92 100 100 3.1-3.2 3.1=100 QD1 LEU 123 - HB3 LEU 48 far 0 100 0 - 7.8-8.5 QG1 VAL 57 - HB3 LEU 48 far 0 71 0 - 7.9-9.1 QD1 LEU 62 - HB3 LEU 48 far 0 97 0 - 8.3-9.3 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 4 assignments used, quality = 1.00: * H LEU 49 + HB3 LEU 48 OK 100 100 100 100 2.1-2.6 4.6=100 H LEU 69 - HB3 LEU 48 far 0 100 0 - 6.4-7.1 H VAL 126 - HB3 LEU 48 far 0 96 0 - 9.4-10.4 H LEU 43 - HB3 LEU 48 far 0 92 0 - 9.4-10.0 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 2.2-3.1 6586=100, 6585/3.0=65...(22) H ALA 52 - HG LEU 48 far 0 89 0 - 5.9-7.1 H CYS 125 - HG LEU 98 far 0 99 0 - 9.0-11.4 H ALA 16 - HG LEU 98 far 0 90 0 - 9.4-44.2 Violated in 0 structures by 0.00 A. Peak 1513 from cnoeabs.peaks (4.11, 1.71, 26.79 ppm; 3.79 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 48 + HG LEU 48 OK 100 100 100 100 2.4-3.2 3.7=100 HA LEU 98 + HG LEU 98 OK 99 99 100 100 2.9-3.7 3.7=100 HA CYS 45 + HG LEU 48 OK 93 95 100 99 2.0-4.3 1529/2.1=59, 1438/3.0=45...(14) HA LEU 49 - HG LEU 48 far 0 100 0 - 6.5-6.5 HA ALA 52 - HG LEU 48 far 0 76 0 - 7.8-9.2 HA GLN 101 - HG LEU 98 far 0 98 0 - 8.4-9.8 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 5 assignments used, quality = 1.00: * HB2 LEU 48 + HG LEU 48 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 98 + HG LEU 98 OK 99 99 100 100 2.6-3.0 3.0=100 HG LEU 100 - HG LEU 98 far 0 99 0 - 7.2-9.7 HB3 LEU 103 - HG LEU 98 far 0 93 0 - 8.6-11.6 HB3 LEU 122 - HG LEU 98 far 0 92 0 - 8.7-11.9 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 3 assignments used, quality = 1.00: * HB3 LEU 48 + HG LEU 48 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 LEU 49 - HG LEU 48 far 0 78 0 - 7.8-8.2 HB2 MET 11 - HG LEU 98 far 0 58 0 - 9.2-37.9 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 7 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 QD1 LEU 49 - HG LEU 48 far 0 100 0 - 4.2-5.9 QG1 VAL 118 - HG LEU 98 far 0 96 0 - 5.7-8.7 QD1 LEU 123 - HG LEU 48 far 0 85 0 - 9.1-9.8 QG2 VAL 63 - HG LEU 98 far 0 99 0 - 9.7-12.3 QG2 ILE 37 - HG LEU 48 far 0 65 0 - 9.8-11.7 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 8 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 QD1 LEU 49 - HG LEU 48 far 0 97 0 - 4.2-5.9 QG1 VAL 118 - HG LEU 98 far 0 71 0 - 5.7-8.7 QG1 VAL 57 - HG LEU 48 far 0 71 0 - 8.4-9.7 QD1 LEU 123 - HG LEU 48 far 0 100 0 - 9.1-9.8 QG2 VAL 63 - HG LEU 98 far 0 92 0 - 9.7-12.3 QG2 ILE 37 - HG LEU 48 far 0 96 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 1519 from cnoeabs.peaks (8.30, 1.71, 26.79 ppm; 4.82 A increased from 4.53 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 49 + HG LEU 48 OK 100 100 100 100 4.2-4.7 6600=100, 6589/6586=78...(27) H SER 99 + HG LEU 98 OK 94 95 100 100 2.3-5.1 3191/2.1=73, 3166/3.0=72...(14) H LEU 96 - HG LEU 98 far 0 60 0 - 5.4-6.4 H LEU 69 - HG LEU 48 far 0 100 0 - 7.6-9.6 H LEU 43 - HG LEU 48 far 0 92 0 - 8.6-10.5 H VAL 126 - HG LEU 98 far 0 93 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 1520 from cnoeabs.peaks (8.04, 0.91, 23.93 ppm; 4.17 A): 4 out of 9 assignments used, quality = 1.00: * H LEU 48 + QD2 LEU 48 OK 100 100 100 100 3.0-4.2 6586/2.1=84, 6585/3.1=75...(21) H ALA 52 + QD2 LEU 48 OK 64 89 75 96 4.1-5.3 9227=81, 4.6/10961=41...(7) H LEU 48 + QD1 LEU 48 OK 42 42 100 100 3.4-3.9 6586/2.1=84, 6585/3.1=75...(25) H CYS 125 + QD1 LEU 123 OK 42 43 100 98 4.4-4.7 3.4/7767=41, 7776/4.7=36...(12) H ALA 52 - QD1 LEU 123 far 0 33 0 - 5.8-6.4 H ALA 52 - QD1 LEU 48 far 0 32 0 - 5.9-6.6 H SER 130 - QD1 LEU 123 far 0 39 0 - 6.8-7.4 H LEU 48 - QD1 LEU 123 far 0 43 0 - 7.4-8.0 H SER 130 - QD1 LEU 48 far 0 38 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 1521 from cnoeabs.peaks (4.11, 0.91, 23.93 ppm; 3.18 A): 3 out of 13 assignments used, quality = 0.99: * HA LEU 48 + QD2 LEU 48 OK 98 100 100 98 1.9-2.6 3.8=58, 1615/10961=26...(22) HA CYS 45 + QD1 LEU 48 OK 32 36 100 90 1.9-2.8 1438/3.1=30...(13) HA LEU 48 + QD1 LEU 48 OK 26 42 65 95 3.8-3.8 4.0=49, ~6586=22...(21) HA CYS 45 - QD2 LEU 48 far 9 95 10 - 3.7-4.9 HA LEU 49 - QD2 LEU 48 far 0 100 0 - 4.8-5.6 HA LEU 49 - QD1 LEU 123 far 0 43 0 - 5.1-6.0 HA ALA 52 - QD2 LEU 48 far 0 76 0 - 5.2-6.6 HA LEU 49 - QD1 LEU 48 far 0 42 0 - 5.4-5.7 HA ALA 52 - QD1 LEU 48 far 0 26 0 - 7.3-8.1 HA ALA 52 - QD1 LEU 123 far 0 27 0 - 7.4-7.8 HA LEU 48 - QD1 LEU 123 far 0 43 0 - 7.5-8.0 HA3 GLY 114 - QD1 LEU 123 far 0 35 0 - 8.6-10.9 HA CYS 45 - QD1 LEU 123 far 0 37 0 - 9.5-10.1 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 7 assignments used, quality = 1.00: * HB2 LEU 48 + QD2 LEU 48 OK 100 100 100 100 2.0-2.4 3.1=100 HB2 LEU 48 + QD1 LEU 48 OK 42 42 100 100 2.2-2.6 3.1=100 HB3 LEU 122 - QD1 LEU 123 far 0 37 0 - 5.4-6.9 HB2 LEU 48 - QD1 LEU 123 far 0 43 0 - 7.8-8.6 HG LEU 100 - QD1 LEU 123 far 0 42 0 - 8.3-9.9 HB3 LEU 122 - QD2 LEU 48 far 0 95 0 - 9.7-12.1 HB3 LEU 122 - QD1 LEU 48 far 0 36 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 1523 from cnoeabs.peaks (1.89, 0.91, 23.93 ppm; 3.43 A): 3 out of 12 assignments used, quality = 1.00: * HB3 LEU 48 + QD2 LEU 48 OK 100 100 100 100 3.1-3.2 3.1=100 HB3 LEU 48 + QD1 LEU 48 OK 42 42 100 100 2.1-2.4 3.1=100 HB3 LEU 123 + QD1 LEU 123 OK 31 31 100 100 2.4-2.7 3.2=100 HB3 LEU 49 - QD1 LEU 123 far 1 28 5 - 3.8-4.9 HB3 LEU 49 - QD2 LEU 48 far 0 78 0 - 6.7-7.3 HB3 LEU 49 - QD1 LEU 48 far 0 27 0 - 6.8-7.1 HB3 LEU 119 - QD1 LEU 123 far 0 28 0 - 7.1-8.0 HB3 LEU 48 - QD1 LEU 123 far 0 43 0 - 7.8-8.5 HB3 LEU 123 - QD2 LEU 48 far 0 85 0 - 9.2-10.5 HB2 GLU 40 - QD1 LEU 48 far 0 41 0 - 9.3-11.2 HB3 LEU 123 - QD1 LEU 48 far 0 30 0 - 9.6-11.0 HB2 GLU 40 - QD2 LEU 48 far 0 100 0 - 9.7-12.8 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 6 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 HB2 LEU 43 - QD2 LEU 48 far 0 93 0 - 7.9-10.3 HB2 LEU 43 - QD1 LEU 48 far 0 35 0 - 8.1-9.0 HG LEU 48 - QD1 LEU 123 far 0 43 0 - 9.1-9.8 HB3 LEU 70 - QD1 LEU 48 far 0 42 0 - 9.5-10.4 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; 4.37 A increased from 3.89 A): 3 out of 12 assignments used, quality = 1.00: * H LEU 49 + QD2 LEU 48 OK 100 100 100 100 4.2-4.5 6598/3.1=65, 6600/2.1=64...(29) H LEU 49 + QD1 LEU 48 OK 42 42 100 100 4.0-4.3 6598/3.1=65, 6600/2.1=64...(30) H VAL 126 + QD1 LEU 123 OK 26 38 100 69 4.4-4.8 3916/4.0=40...(7) H LEU 69 - QD1 LEU 48 far 0 41 0 - 5.8-6.6 H LEU 49 - QD1 LEU 123 far 0 43 0 - 5.9-6.6 H LEU 43 - QD1 LEU 48 far 0 34 0 - 8.0-8.9 H LEU 69 - QD2 LEU 48 far 0 100 0 - 8.0-8.6 H TYR 72 - QD1 LEU 48 far 0 30 0 - 8.3-9.3 H LEU 43 - QD2 LEU 48 far 0 92 0 - 8.7-10.6 H LEU 96 - QD1 LEU 123 far 0 21 0 - 9.1-9.7 H SER 99 - QD1 LEU 123 far 0 38 0 - 9.9-11.1 H LEU 69 - QD1 LEU 123 far 0 42 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 1528 from cnoeabs.peaks (8.04, 0.92, 24.30 ppm; 3.86 A increased from 3.64 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 48 + QD1 LEU 48 OK 100 100 100 100 3.4-3.9 6586/2.1=76, 6585/3.1=67...(25) H LEU 48 + QD2 LEU 48 OK 42 42 100 100 3.0-4.2 6586/2.1=76, 6585/3.1=66...(21) H ALA 52 - QD2 LEU 48 poor 10 32 30 - 4.1-5.3 H ALA 52 - QD1 LEU 48 far 0 89 0 - 5.9-6.6 H SER 130 - QD1 LEU 48 far 0 97 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 1529 from cnoeabs.peaks (4.11, 0.92, 24.30 ppm; 2.89 A): 2 out of 8 assignments used, quality = 0.87: HA CYS 45 + QD1 LEU 48 OK 79 95 100 83 1.9-2.8 1438/3.1=24, 9164=21...(13) HA LEU 48 + QD2 LEU 48 OK 39 42 100 94 1.9-2.6 3.8=44, 1615/10961=17...(21) HA CYS 45 - QD2 LEU 48 far 0 36 0 - 3.7-4.9 ! HA LEU 48 - QD1 LEU 48 far 0 100 0 - 3.8-3.8 HA LEU 49 - QD2 LEU 48 far 0 42 0 - 4.8-5.6 HA ALA 52 - QD2 LEU 48 far 0 26 0 - 5.2-6.6 HA LEU 49 - QD1 LEU 48 far 0 100 0 - 5.4-5.7 HA ALA 52 - QD1 LEU 48 far 0 76 0 - 7.3-8.1 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 4 assignments used, quality = 1.00: * HB2 LEU 48 + QD1 LEU 48 OK 100 100 100 100 2.2-2.6 3.1=100 HB2 LEU 48 + QD2 LEU 48 OK 42 42 100 100 2.0-2.4 3.1=100 HB3 LEU 122 - QD2 LEU 48 far 0 36 0 - 9.7-12.1 HB3 LEU 122 - QD1 LEU 48 far 0 95 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 1531 from cnoeabs.peaks (1.89, 0.92, 24.30 ppm; 3.09 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 48 + QD1 LEU 48 OK 100 100 100 100 2.1-2.4 3.1=100 HB3 LEU 48 + QD2 LEU 48 OK 42 42 100 99 3.1-3.2 3.1=97, 1.8/1530=26...(19) HB3 LEU 49 - QD2 LEU 48 far 0 27 0 - 6.7-7.3 HB3 LEU 49 - QD1 LEU 48 far 0 78 0 - 6.8-7.1 HB3 LEU 123 - QD2 LEU 48 far 0 30 0 - 9.2-10.5 HB2 GLU 40 - QD1 LEU 48 far 0 100 0 - 9.3-11.2 HB3 LEU 123 - QD1 LEU 48 far 0 85 0 - 9.6-11.0 HB2 GLU 40 - QD2 LEU 48 far 0 41 0 - 9.7-12.8 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 5 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 - 7.9-10.3 HB2 LEU 43 - QD1 LEU 48 far 0 93 0 - 8.1-9.0 HB3 LEU 70 - QD1 LEU 48 far 0 100 0 - 9.5-10.4 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 7 assignments used, quality = 1.00: * H LEU 49 + QD1 LEU 48 OK 100 100 100 100 4.0-4.3 6598/3.1=67, 6600/2.1=67...(30) H LEU 49 + QD2 LEU 48 OK 42 42 100 100 4.2-4.5 6598/3.1=67, 6600/2.1=67...(29) H LEU 69 - QD1 LEU 48 far 0 100 0 - 5.8-6.6 H LEU 43 - QD1 LEU 48 far 0 92 0 - 8.0-8.9 H LEU 69 - QD2 LEU 48 far 0 41 0 - 8.0-8.6 H TYR 72 - QD1 LEU 48 far 0 85 0 - 8.3-9.3 H LEU 43 - QD2 LEU 48 far 0 34 0 - 8.7-10.6 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 7 assignments used, quality = 1.00: * H LEU 49 + HA LEU 49 OK 100 100 100 100 2.7-2.7 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 3.6-3.6 3.6=100 H LEU 96 - HA LEU 98 far 0 47 0 - 6.8-7.0 H VAL 126 - HA LEU 49 far 0 96 0 - 7.6-8.2 H LEU 69 - HA LEU 49 far 0 100 0 - 7.7-8.5 H LEU 69 - HA LEU 48 far 0 66 0 - 9.4-9.9 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 3.0-3.0 3.0=100 QB ALA 52 + HA LEU 49 OK 80 87 100 92 2.4-3.2 1631=44, 9247/2.9=39...(11) QB ALA 52 + HA LEU 48 OK 36 51 90 78 4.1-5.0 9247/3.6=35, 2.9/6644=23...(10) HB2 LEU 53 - HA LEU 49 far 0 73 0 - 5.6-7.1 HB2 LEU 49 - HA LEU 48 far 0 66 0 - 5.6-5.9 HG LEU 69 - HA LEU 49 far 0 89 0 - 6.7-7.4 HB2 LEU 53 - HA LEU 48 far 0 41 0 - 8.3-10.1 HG LEU 69 - HA LEU 48 far 0 53 0 - 8.5-8.7 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 10 assignments used, quality = 1.00: * HB3 LEU 49 + HA LEU 49 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 LEU 48 + HA LEU 48 OK 45 45 100 100 2.9-3.0 3.0=100 HG LEU 53 + HA LEU 49 OK 44 83 55 96 2.7-6.1 2.1/1541=37...(21) HB3 LEU 48 + HA LEU 49 OK 39 78 50 98 4.2-4.8 ~6598=38, 6605/2.9=26...(27) HB3 LEU 123 - HA LEU 49 far 0 53 0 - 5.2-6.6 HB3 LEU 49 - HA LEU 48 far 0 66 0 - 6.5-6.6 HG LEU 53 - HA LEU 48 far 0 48 0 - 7.0-9.9 HB3 LYS 95 - HA LEU 98 far 0 56 0 - 7.2-7.7 HB2 LYS 95 - HA LEU 98 far 0 62 0 - 7.9-8.2 HB3 LEU 123 - HA LEU 48 far 0 28 0 - 8.6-10.3 Violated in 0 structures by 0.00 A. Peak 1540 from cnoeabs.peaks (1.57, 4.11, 57.64 ppm; 4.10 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 49 + HA LEU 49 OK 100 100 100 100 2.2-2.6 3.7=100 HG LEU 49 - HA LEU 48 far 0 66 0 - 5.8-6.3 HB2 LEU 119 - HA LEU 49 far 0 65 0 - 7.7-8.3 HB2 LEU 103 - HA LEU 98 far 0 84 0 - 7.9-9.3 HG LEU 123 - HA LEU 49 far 0 100 0 - 8.1-8.9 HG LEU 103 - HA LEU 49 far 0 90 0 - 9.9-11.0 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 19 assignments used, quality = 1.00: * QD2 LEU 49 + HA LEU 49 OK 100 100 100 100 3.3-3.6 1573=100, 2.1/1581=59...(15) QD1 LEU 53 + HA LEU 49 OK 94 100 100 94 2.6-3.3 9218/4.8=35, 1674/3.0=29...(16) QD1 LEU 122 - HA LEU 49 far 5 97 5 - 4.5-7.7 QD1 LEU 122 - HA LEU 98 far 0 80 0 - 5.5-8.9 QD2 LEU 122 - HA LEU 98 far 0 80 0 - 5.5-7.2 QD1 LEU 70 - HA LEU 98 far 0 60 0 - 5.9-6.3 QD2 LEU 122 - HA LEU 49 far 0 97 0 - 6.2-7.8 QD1 LEU 53 - HA LEU 48 far 0 66 0 - 6.2-6.8 QD1 LEU 96 - HA LEU 49 far 0 71 0 - 6.3-7.0 QD2 LEU 49 - HA LEU 48 far 0 66 0 - 6.7-7.0 QD1 LEU 96 - HA LEU 98 far 0 54 0 - 6.8-7.6 QD2 LEU 119 - HA LEU 49 far 0 100 0 - 7.1-7.7 QD1 LEU 103 - HA LEU 49 far 0 92 0 - 8.2-9.2 QD1 LEU 122 - HA LEU 48 far 0 61 0 - 8.2-11.4 QG1 VAL 63 - HA LEU 98 far 0 75 0 - 8.2-9.2 QG1 VAL 63 - HA LEU 49 far 0 93 0 - 8.5-9.0 QD1 LEU 103 - HA LEU 98 far 0 73 0 - 8.8-10.1 QD1 LEU 96 - HA LEU 48 far 0 40 0 - 9.3-9.6 QD2 LEU 49 - HA LEU 98 far 0 85 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 1542 from cnoeabs.peaks (0.91, 4.11, 57.64 ppm; 3.37 A): 3 out of 17 assignments used, quality = 1.00: * QD1 LEU 49 + HA LEU 49 OK 98 100 100 98 3.4-3.5 1581=69, 2.1/1573=54...(14) QD2 LEU 48 + HA LEU 48 OK 65 66 100 99 1.9-2.6 3.8=69, 10961/1615=29...(22) QD1 LEU 48 + HA LEU 48 OK 60 60 100 99 3.8-3.8 4.0=58, 2.1/3193=46...(22) QD1 LEU 49 - HA LEU 48 far 0 66 0 - 4.7-5.4 QD1 LEU 62 - HA LEU 49 far 0 100 0 - 4.7-5.5 QD2 LEU 48 - HA LEU 49 far 0 100 0 - 4.8-5.6 QD1 LEU 123 - HA LEU 49 far 0 92 0 - 5.1-6.0 QD1 LEU 48 - HA LEU 49 far 0 97 0 - 5.4-5.7 QD2 LEU 123 - HA LEU 49 far 0 63 0 - 5.9-6.7 QG1 VAL 118 - HA LEU 98 far 0 76 0 - 6.2-7.0 QD1 LEU 123 - HA LEU 48 far 0 56 0 - 7.5-8.0 QG2 VAL 63 - HA LEU 49 far 0 100 0 - 7.8-8.3 QD2 LEU 123 - HA LEU 48 far 0 34 0 - 8.2-9.0 QD1 LEU 62 - HA LEU 48 far 0 66 0 - 8.5-9.1 QG1 VAL 118 - HA LEU 49 far 0 95 0 - 8.6-9.4 QG2 VAL 63 - HA LEU 98 far 0 85 0 - 9.0-9.8 QD1 LEU 119 - HA LEU 49 far 0 60 0 - 9.2-9.7 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 3.6-3.6 3.6=100 H SER 50 + HA LEU 48 OK 66 66 100 100 4.8-5.1 6590/2.9=69, 6617=50...(18) H HIS 67 - HA LEU 49 far 0 100 0 - 7.7-8.4 H HIS 8 - HA LEU 98 far 0 85 0 - 8.4-44.8 Violated in 0 structures by 0.00 A. Peak 1544 from cnoeabs.peaks (8.03, 4.11, 57.64 ppm; 3.93 A): 3 out of 7 assignments used, quality = 1.00: * H ALA 52 + HA LEU 49 OK 98 100 100 98 3.2-3.6 2.9/1631=37, 6644=36...(22) H ALA 52 + HA LEU 48 OK 64 66 100 96 3.7-4.4 9227/3.8=48...(12) H LEU 48 + HA LEU 48 OK 53 53 100 100 2.7-2.8 2.9=100 H LEU 48 - HA LEU 49 far 0 89 0 - 5.5-5.7 H CYS 125 - HA LEU 49 far 0 92 0 - 9.0-9.8 H ALA 16 - HA LEU 98 far 0 85 0 - 9.3-44.2 H VAL 57 - HA LEU 49 far 0 78 0 - 9.4-10.1 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 94 100 100 94 2.4-3.2 1631=55, 9247/2.9=48...(11) HB2 LEU 49 + HA LEU 49 OK 87 87 100 100 3.0-3.0 3.0=100 QB ALA 52 + HA LEU 48 OK 44 66 80 82 4.1-5.0 9247/3.6=42, 2.9/6644=23...(10) HB2 LEU 49 - HA LEU 48 far 0 51 0 - 5.6-5.9 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 3 assignments used, quality = 1.00: * HA ALA 46 + HB2 LEU 49 OK 100 100 100 100 3.5-4.4 1455/6604=89...(12) HB3 SER 50 + HB2 LEU 49 OK 99 99 100 100 4.0-5.5 3.9/6618=95, 11338=84...(10) HA LEU 70 - HB2 LEU 49 far 0 93 0 - 10.0-10.8 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 3 assignments used, quality = 1.00: * H LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.3-2.7 3.9=100 H VAL 126 + HB2 LEU 49 OK 37 96 60 65 5.2-5.7 1572/3.2=25, ~10401=17...(9) H LEU 69 - HB2 LEU 49 far 0 100 0 - 6.6-7.5 Violated in 0 structures by 0.00 A. Peak 1548 from cnoeabs.peaks (4.11, 1.50, 41.17 ppm; 5.15 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 49 + HB2 LEU 49 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 48 + HB2 LEU 49 OK 75 100 75 100 5.6-5.9 3.6/6604=82, 2.9/9198=63...(45) HA CYS 45 - HB2 LEU 49 far 0 92 0 - 6.1-7.1 HA ALA 52 - HB2 LEU 49 far 0 71 0 - 7.8-8.3 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 99 4.4-5.1 4.6/6604=56, 3.9/9198=44...(26) HG LEU 53 + HB2 LEU 49 OK 49 83 60 98 4.6-6.7 2.1/1552=44, ~1674=31...(17) HB3 LEU 123 - HB2 LEU 49 far 8 53 15 - 4.7-6.4 Violated in 0 structures by 0.00 A. Peak 1551 from cnoeabs.peaks (1.57, 1.50, 41.17 ppm; 5.11 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.9-3.0 3.0=100 HG LEU 123 - HB2 LEU 49 far 0 100 0 - 6.9-8.2 HB2 LEU 119 - HB2 LEU 49 far 0 65 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 1552 from cnoeabs.peaks (0.80, 1.50, 41.17 ppm; 4.46 A): 2 out of 9 assignments used, quality = 1.00: * QD2 LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.7-2.9 3.2=100 QD1 LEU 53 + HB2 LEU 49 OK 98 100 100 98 2.9-4.1 1674/1.8=41, 1541/3.0=36...(23) QD1 LEU 122 - HB2 LEU 49 far 15 97 15 - 3.8-6.9 QD1 LEU 96 - HB2 LEU 49 poor 7 71 40 23 4.9-5.4 11061/2219=8...(7) QD2 LEU 122 - HB2 LEU 49 far 0 97 0 - 6.0-7.2 QG2 ILE 129 - HB2 LEU 49 far 0 71 0 - 7.7-8.5 QD2 LEU 119 - HB2 LEU 49 far 0 100 0 - 8.4-9.4 QG1 VAL 63 - HB2 LEU 49 far 0 93 0 - 9.3-9.6 QD1 LEU 103 - HB2 LEU 49 far 0 92 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 1553 from cnoeabs.peaks (0.91, 1.50, 41.17 ppm; 4.40 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.0-2.2 3.2=100 QD1 LEU 123 + HB2 LEU 49 OK 49 92 85 63 3.9-5.2 11339/11338=31...(9) QD2 LEU 123 - HB2 LEU 49 far 0 63 0 - 5.7-6.9 QD1 LEU 48 - HB2 LEU 49 far 0 97 0 - 6.0-6.3 QD1 LEU 62 - HB2 LEU 49 far 0 100 0 - 6.1-7.3 QD2 LEU 48 - HB2 LEU 49 far 0 100 0 - 6.2-6.6 QG1 VAL 118 - HB2 LEU 49 far 0 95 0 - 8.6-9.3 QG2 VAL 63 - HB2 LEU 49 far 0 100 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 1555 from cnoeabs.peaks (3.90, 1.92, 41.17 ppm; 5.90 A increased from 5.24 A): 3 out of 5 assignments used, quality = 1.00: * HA ALA 46 + HB3 LEU 49 OK 100 100 100 100 5.1-5.9 1455/3.9=76, 9209/3.2=70...(11) HB3 SER 50 + HB3 LEU 49 OK 99 99 100 100 5.0-6.4 11338/1.8=90...(9) HB3 SER 50 + HB3 LEU 123 OK 32 46 70 100 4.5-6.9 11339/3.2=91, ~11874=66...(29) HA2 GLY 114 - HB3 LEU 123 far 0 42 0 - 7.9-9.9 HA ALA 46 - HB3 LEU 123 far 0 48 0 - 8.5-9.7 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 7 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 49 far 0 96 0 - 5.1-5.9 H VAL 126 - HB3 LEU 123 far 0 43 0 - 5.7-5.9 H LEU 49 - HB3 LEU 123 far 0 48 0 - 6.7-8.3 H LEU 69 - HB3 LEU 49 far 0 100 0 - 7.4-7.9 H LEU 96 - HB3 LEU 49 far 0 63 0 - 9.8-10.6 H SER 99 - HB3 LEU 123 far 0 43 0 - 9.9-11.8 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 2.4-2.6 3.0=100 HA LEU 49 - HB3 LEU 123 far 0 48 0 - 5.2-6.6 HA LEU 48 - HB3 LEU 49 far 0 100 0 - 6.5-6.6 HA ALA 52 - HB3 LEU 49 far 0 71 0 - 7.1-7.8 HA3 GLY 114 - HB3 LEU 123 far 0 38 0 - 7.5-11.0 HA ALA 52 - HB3 LEU 123 far 0 28 0 - 7.5-8.7 HA CYS 45 - HB3 LEU 49 far 0 92 0 - 7.7-8.4 HA LEU 48 - HB3 LEU 123 far 0 48 0 - 8.6-10.3 Violated in 0 structures by 0.00 A. Peak 1558 from cnoeabs.peaks (1.50, 1.92, 41.17 ppm; 4.82 A): 4 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 83 87 100 95 4.1-5.3 9247/3.9=45, 1631/3.0=38...(15) HB2 LEU 53 + HB3 LEU 123 OK 28 29 100 97 2.2-3.7 ~11571=56, ~11422=41...(14) HG LEU 69 + HB3 LEU 49 OK 22 89 25 98 5.2-6.1 1574/3.2=38, 1582/3.2=36...(19) HB2 LEU 49 - HB3 LEU 123 poor 10 48 20 - 4.7-6.4 HB2 LEU 53 - HB3 LEU 49 far 7 73 10 - 5.2-6.9 QB ALA 52 - HB3 LEU 123 far 4 36 10 - 5.2-6.8 HG LEU 69 - HB3 LEU 123 far 0 38 0 - 8.9-9.7 HG LEU 42 - HB3 LEU 49 far 0 97 0 - 9.9-11.0 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): 2 out of 9 assignments used, quality = 1.00: * HG LEU 49 + HB3 LEU 49 OK 100 100 100 100 2.7-2.8 3.0=100 HG LEU 123 + HB3 LEU 123 OK 47 47 100 100 2.9-3.0 3.0=100 HB2 LEU 119 - HB3 LEU 123 far 1 25 5 - 4.9-6.1 HG LEU 123 - HB3 LEU 49 far 0 100 0 - 6.5-7.3 HG LEU 49 - HB3 LEU 123 far 0 48 0 - 6.6-7.7 HB2 LEU 119 - HB3 LEU 49 far 0 65 0 - 7.0-8.3 HB2 LEU 103 - HB3 LEU 123 far 0 47 0 - 9.0-10.8 HB2 LEU 103 - HB3 LEU 49 far 0 100 0 - 9.4-10.3 HG LEU 103 - HB3 LEU 49 far 0 90 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 1561 from cnoeabs.peaks (0.80, 1.92, 41.17 ppm; 4.23 A): 4 out of 16 assignments used, quality = 1.00: * QD2 LEU 49 + HB3 LEU 49 OK 100 100 100 100 1.9-2.0 3.2=100 QD1 LEU 53 + HB3 LEU 49 OK 97 100 100 97 1.7-2.9 1552/1.8=42, 1541/3.0=33...(22) QD1 LEU 53 + HB3 LEU 123 OK 47 48 100 99 1.8-3.2 11571/1.8=76...(14) QD1 LEU 122 + HB3 LEU 49 OK 31 97 85 37 2.8-6.0 11681/11679=10, ~3872=5...(14) QD1 LEU 96 - HB3 LEU 49 poor 6 71 30 28 4.7-5.4 11614/11679=9...(8) QD2 LEU 122 - HB3 LEU 49 far 5 97 5 - 4.8-6.1 QD2 LEU 49 - HB3 LEU 123 far 2 48 5 - 4.8-5.6 QD1 LEU 122 - HB3 LEU 123 far 2 44 5 - 3.0-6.6 QD2 LEU 122 - HB3 LEU 123 far 0 44 0 - 5.0-6.8 QD2 LEU 119 - HB3 LEU 123 far 0 47 0 - 6.0-6.9 QD1 LEU 96 - HB3 LEU 123 far 0 28 0 - 6.5-7.5 QD2 LEU 119 - HB3 LEU 49 far 0 100 0 - 6.9-8.1 QD1 LEU 103 - HB3 LEU 123 far 0 40 0 - 7.5-8.6 QD1 LEU 103 - HB3 LEU 49 far 0 92 0 - 8.0-8.7 QG2 ILE 129 - HB3 LEU 49 far 0 71 0 - 8.4-9.5 QG1 VAL 63 - HB3 LEU 49 far 0 93 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 1562 from cnoeabs.peaks (0.91, 1.92, 41.17 ppm; 3.37 A): 3 out of 18 assignments used, quality = 1.00: * QD1 LEU 49 + HB3 LEU 49 OK 100 100 100 100 3.0-3.1 3.2=100 QD1 LEU 123 + HB3 LEU 123 OK 40 40 100 100 2.4-2.7 3.2=100 QD2 LEU 123 + HB3 LEU 123 OK 24 24 100 100 2.1-2.4 3.2=100 QD1 LEU 123 - HB3 LEU 49 far 5 92 5 - 3.8-4.9 QD1 LEU 62 - HB3 LEU 123 far 0 48 0 - 4.4-5.5 QD1 LEU 62 - HB3 LEU 49 far 0 100 0 - 4.6-6.0 QD2 LEU 123 - HB3 LEU 49 far 0 63 0 - 5.2-5.9 QD1 LEU 49 - HB3 LEU 123 far 0 48 0 - 6.0-7.2 QD2 LEU 48 - HB3 LEU 49 far 0 100 0 - 6.7-7.3 QD1 LEU 119 - HB3 LEU 123 far 0 23 0 - 6.7-7.9 QD1 LEU 48 - HB3 LEU 49 far 0 97 0 - 6.8-7.1 QG1 VAL 118 - HB3 LEU 123 far 0 42 0 - 6.9-8.1 QG1 VAL 118 - HB3 LEU 49 far 0 95 0 - 7.4-8.0 QG2 VAL 63 - HB3 LEU 49 far 0 100 0 - 7.9-8.5 QD1 LEU 119 - HB3 LEU 49 far 0 60 0 - 8.7-9.7 QG2 VAL 63 - HB3 LEU 123 far 0 48 0 - 9.0-10.0 QD2 LEU 48 - HB3 LEU 123 far 0 47 0 - 9.2-10.5 QD1 LEU 48 - HB3 LEU 123 far 0 43 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 1564 from cnoeabs.peaks (8.30, 1.57, 27.00 ppm; 5.21 A): 2 out of 11 assignments used, quality = 1.00: * H LEU 49 + HG LEU 49 OK 100 100 100 100 2.5-3.2 5.0=100 H LEU 69 + HG LEU 49 OK 31 100 35 88 5.6-6.0 11068/10992=48...(6) H ALA 21 - HG2 ARG 23 far 5 99 5 - 5.0-7.8 H VAL 126 - HG LEU 123 far 0 70 0 - 5.8-6.5 H ALA 110 - HG LEU 103 far 0 39 0 - 6.3-11.1 H ALA 28 - HG2 ARG 23 far 0 72 0 - 6.6-16.1 H VAL 126 - HG LEU 49 far 0 96 0 - 7.0-7.5 H GLY 111 - HG LEU 103 far 0 39 0 - 7.6-11.0 H GLY 17 - HG2 ARG 23 far 0 88 0 - 8.7-14.0 H SER 99 - HG LEU 103 far 0 35 0 - 9.0-9.8 H LEU 49 - HG LEU 123 far 0 78 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 1565 from cnoeabs.peaks (4.11, 1.57, 27.00 ppm; 5.78 A): 3 out of 12 assignments used, quality = 1.00: * HA LEU 49 + HG LEU 49 OK 100 100 100 100 2.2-2.6 3.7=100 HA LEU 48 + HG LEU 49 OK 100 100 100 100 5.8-6.3 3.6/6606=84, ~9198=48...(26) HA GLN 104 + HG LEU 103 OK 29 29 100 100 3.1-3.7 ~7491=70, ~11717=63...(18) HA CYS 45 - HG LEU 49 far 14 92 15 - 6.2-7.2 HA ILE 32 - HG2 ARG 23 far 5 100 5 - 3.7-15.9 HA GLN 101 - HG LEU 103 far 0 39 0 - 6.9-7.5 HA ALA 52 - HG LEU 49 far 0 71 0 - 7.4-7.8 HA CYS 79 - HG2 ARG 23 far 0 100 0 - 7.7-22.9 HA LEU 49 - HG LEU 123 far 0 78 0 - 8.1-8.9 HA3 GLY 114 - HG LEU 123 far 0 63 0 - 9.0-11.3 HA3 GLY 114 - HG LEU 103 far 0 30 0 - 9.5-13.3 HA LEU 49 - HG LEU 103 far 0 39 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 1566 from cnoeabs.peaks (1.50, 1.57, 27.00 ppm; 4.35 A): 3 out of 10 assignments used, quality = 1.00: * HB2 LEU 49 + HG LEU 49 OK 100 100 100 100 2.9-3.0 3.0=100 QB ALA 52 + HG LEU 49 OK 74 87 100 85 4.2-4.7 9247/6606=30...(10) HB2 LEU 53 + HG LEU 123 OK 40 50 90 90 4.2-5.1 ~11422=45, ~11639=44...(12) HG LEU 69 - HG LEU 49 far 0 89 0 - 5.1-5.6 HB2 LEU 49 - HG LEU 123 far 0 78 0 - 6.9-8.2 HB2 LEU 53 - HG LEU 49 far 0 73 0 - 7.0-8.9 QB ALA 52 - HG LEU 123 far 0 61 0 - 7.7-8.9 QB ALA 52 - HG LEU 103 far 0 29 0 - 8.4-9.4 HG LEU 42 - HG LEU 49 far 0 97 0 - 9.7-10.4 HB2 LEU 53 - HG LEU 103 far 0 23 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 1567 from cnoeabs.peaks (1.92, 1.57, 27.00 ppm; 4.25 A): 5 out of 9 assignments used, quality = 1.00: * HB3 LEU 49 + HG LEU 49 OK 100 100 100 100 2.7-2.8 3.0=100 HB3 LEU 48 + HG LEU 49 OK 71 78 95 95 3.9-5.0 4.6/6606=41, 1583/2.1=35...(15) HG LEU 53 + HG LEU 49 OK 42 83 55 93 4.2-7.6 1575/2.1=23, ~1552=20...(17) HB3 LEU 123 + HG LEU 123 OK 34 34 100 100 2.9-3.0 3.0=100 HG LEU 53 + HG LEU 123 OK 24 57 45 93 3.6-6.9 ~11422=58, ~11639=57...(9) HB3 LEU 49 - HG LEU 123 far 0 78 0 - 6.5-7.3 HB3 LEU 123 - HG LEU 49 far 0 53 0 - 6.6-7.7 HG LEU 53 - HG LEU 103 far 0 27 0 - 9.0-10.8 HB3 LEU 49 - HG LEU 103 far 0 39 0 - 9.8-11.1 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): 2 out of 28 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 32 32 100 100 2.1-2.1 2.1=100 QG1 VAL 63 - HG LEU 103 far 2 33 5 - 3.6-4.9 QD1 LEU 53 - HG LEU 49 far 0 100 0 - 3.7-4.6 QD1 LEU 53 - HG LEU 123 far 0 77 0 - 3.7-5.4 QD1 LEU 122 - HG LEU 49 far 0 97 0 - 4.0-6.7 QD1 LEU 122 - HG LEU 103 far 0 36 0 - 4.2-7.3 QD2 LEU 119 - HG LEU 103 far 0 39 0 - 4.3-5.4 QD2 LEU 122 - HG LEU 103 far 0 36 0 - 4.4-6.9 QD1 LEU 96 - HG LEU 49 far 0 71 0 - 4.8-5.4 QD1 LEU 122 - HG LEU 123 far 0 72 0 - 5.2-8.4 QD2 LEU 122 - HG LEU 49 far 0 97 0 - 5.4-6.9 QD1 ILE 32 - HG2 ARG 23 far 0 82 0 - 6.4-13.7 QD2 LEU 49 - HG LEU 123 far 0 78 0 - 6.7-7.5 QD2 LEU 49 - HG LEU 103 far 0 39 0 - 6.8-7.9 QD2 LEU 122 - HG LEU 123 far 0 72 0 - 7.1-8.0 QG1 VAL 63 - HG LEU 49 far 0 93 0 - 7.1-7.7 QD1 ILE 37 - HG2 ARG 23 far 0 86 0 - 7.2-19.1 QD1 LEU 70 - HG2 ARG 23 far 0 77 0 - 7.4-23.3 QD1 LEU 53 - HG LEU 103 far 0 39 0 - 7.5-9.3 QD1 LEU 96 - HG LEU 103 far 0 22 0 - 7.7-8.9 QD2 LEU 119 - HG LEU 49 far 0 100 0 - 7.7-8.5 QD1 LEU 96 - HG LEU 123 far 0 48 0 - 7.8-8.8 QD1 LEU 103 - HG LEU 49 far 0 92 0 - 8.0-9.0 QD2 LEU 119 - HG LEU 123 far 0 77 0 - 8.2-8.9 QG2 ILE 129 - HG LEU 49 far 0 71 0 - 9.0-9.8 QD1 LEU 70 - HG LEU 49 far 0 78 0 - 9.6-10.0 QD1 LEU 103 - HG LEU 123 far 0 66 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 1570 from cnoeabs.peaks (0.91, 1.57, 27.00 ppm; 3.45 A): 6 out of 24 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 66 66 100 100 2.1-2.1 2.1=100 QD2 LEU 123 + HG LEU 123 OK 42 42 100 100 2.1-2.1 2.1=100 QG2 VAL 63 + HG LEU 103 OK 38 39 100 97 1.8-2.7 11822/2.1=33, 1584=31...(31) QG1 VAL 118 + HG LEU 103 OK 29 34 85 100 3.7-4.3 10261=41, 11612/2.1=39...(23) QG2 VAL 20 + HG2 ARG 23 OK 26 79 55 60 2.5-5.1 10688/3.8=17, ~11960=10...(11) QD1 LEU 22 - HG2 ARG 23 far 4 86 5 - 3.6-7.6 QD1 LEU 62 - HG LEU 103 far 0 39 0 - 4.9-5.5 QD1 LEU 48 - HG LEU 49 far 0 97 0 - 4.9-5.7 QG1 VAL 20 - HG2 ARG 23 far 0 99 0 - 5.1-7.3 QD2 LEU 48 - HG LEU 49 far 0 100 0 - 5.4-6.3 QD1 LEU 62 - HG LEU 49 far 0 100 0 - 5.5-6.1 QD1 LEU 123 - HG LEU 49 far 0 92 0 - 6.1-7.0 QD1 LEU 62 - HG LEU 123 far 0 78 0 - 6.7-7.8 QG2 VAL 63 - HG LEU 49 far 0 100 0 - 7.0-7.6 QD2 LEU 123 - HG LEU 49 far 0 63 0 - 7.3-8.0 QD1 LEU 49 - HG LEU 123 far 0 78 0 - 7.9-8.8 QG2 VAL 112 - HG LEU 103 far 0 35 0 - 7.9-9.6 QG1 VAL 118 - HG LEU 49 far 0 95 0 - 8.1-8.9 QD1 LEU 119 - HG LEU 123 far 0 40 0 - 8.3-9.0 QG1 VAL 118 - HG LEU 123 far 0 69 0 - 8.4-9.3 QD1 LEU 49 - HG LEU 103 far 0 39 0 - 9.0-10.3 QG2 ILE 37 - HG2 ARG 23 far 0 75 0 - 9.9-21.3 QD1 LEU 119 - HG LEU 49 far 0 60 0 - 10.0-10.4 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 6 assignments used, quality = 1.00: * H LEU 49 + QD2 LEU 49 OK 100 100 100 100 3.8-4.2 2.9/1573=67, 6606/2.1=65...(30) H LEU 69 + QD2 LEU 49 OK 91 100 95 96 4.4-4.8 3.6/11820=29...(17) H VAL 126 + QD2 LEU 49 OK 90 96 100 94 4.1-4.6 4021/11681=55...(12) H LEU 96 - QD2 LEU 49 far 0 63 0 - 7.0-7.5 H SER 99 - QD2 LEU 49 far 0 97 0 - 7.4-7.7 H TYR 72 - QD2 LEU 49 far 0 85 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 1573 from cnoeabs.peaks (4.11, 0.80, 26.96 ppm; 3.85 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 49 + QD2 LEU 49 OK 100 100 100 100 3.3-3.6 3.9=94, 1581/2.1=58...(15) HA CYS 45 - QD2 LEU 49 far 0 92 0 - 6.4-7.3 HA LEU 48 - QD2 LEU 49 far 0 100 0 - 6.7-7.0 HA ALA 52 - QD2 LEU 49 far 0 71 0 - 7.5-7.8 HA GLN 104 - QD2 LEU 49 far 0 87 0 - 8.7-9.6 HA GLN 101 - QD2 LEU 49 far 0 100 0 - 9.1-9.8 HA LEU 98 - QD2 LEU 49 far 0 100 0 - 9.4-10.0 HA3 GLY 114 - QD2 LEU 49 far 0 89 0 - 9.6-12.6 Violated in 0 structures by 0.00 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 2.7-2.9 3.2=100 HG LEU 69 + QD2 LEU 49 OK 82 89 100 92 3.2-3.9 1582/2.1=30, 11036=29...(22) QB ALA 52 - QD2 LEU 49 far 0 87 0 - 4.6-5.2 HB2 LEU 53 - QD2 LEU 49 far 0 73 0 - 5.4-7.4 HG LEU 42 - QD2 LEU 49 far 0 97 0 - 7.8-8.6 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 1.9-2.0 3.2=100 HG LEU 53 + QD2 LEU 49 OK 39 83 55 86 3.6-5.9 1667=21, ~1552=15...(16) HB3 LEU 123 - QD2 LEU 49 far 0 53 0 - 4.8-5.6 HB3 LEU 48 - QD2 LEU 49 far 0 78 0 - 5.0-6.0 HB2 LYS 95 - QD2 LEU 49 far 0 81 0 - 8.4-9.6 HB3 LYS 95 - QD2 LEU 49 far 0 73 0 - 8.6-9.8 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 6 assignments used, quality = 1.00: * HG LEU 49 + QD2 LEU 49 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 103 - QD2 LEU 49 far 0 100 0 - 6.5-7.2 HB2 LEU 119 - QD2 LEU 49 far 0 65 0 - 6.6-7.2 HG LEU 123 - QD2 LEU 49 far 0 100 0 - 6.7-7.5 HG LEU 103 - QD2 LEU 49 far 0 90 0 - 6.8-7.9 HB3 LEU 42 - QD2 LEU 49 far 0 63 0 - 9.9-10.8 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): 1 out of 10 assignments used, quality = 1.00: * QD1 LEU 49 + QD2 LEU 49 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 62 - QD2 LEU 49 far 0 100 0 - 4.3-4.9 QD1 LEU 123 - QD2 LEU 49 far 0 92 0 - 4.5-5.5 QG2 VAL 63 - QD2 LEU 49 far 0 100 0 - 5.4-5.7 QG1 VAL 118 - QD2 LEU 49 far 0 95 0 - 5.4-6.2 QD1 LEU 48 - QD2 LEU 49 far 0 97 0 - 5.5-6.4 QD2 LEU 123 - QD2 LEU 49 far 0 63 0 - 5.7-6.4 QD2 LEU 48 - QD2 LEU 49 far 0 100 0 - 6.2-6.9 QD1 LEU 119 - QD2 LEU 49 far 0 60 0 - 7.8-8.1 QG2 ILE 37 - QD2 LEU 49 far 0 76 0 - 9.6-10.2 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 3 assignments used, quality = 1.00: * H SER 50 + QD2 LEU 49 OK 100 100 100 100 4.4-4.5 6619/3.2=81, 6618/3.2=77...(26) H HIS 67 + QD2 LEU 49 OK 98 100 100 98 4.3-4.5 9460=50, 3.6/9208=38...(15) H SER 60 - QD2 LEU 49 far 0 99 0 - 9.4-9.7 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 17 assignments used, quality = 1.00: * H LEU 49 + QD1 LEU 49 OK 100 100 100 100 1.8-2.4 4.7=67, 6606/2.1=63...(30) H LEU 69 + QD1 LEU 49 OK 77 100 100 77 3.2-4.1 11056/2.1=26...(15) H VAL 126 - QD1 LEU 123 poor 19 47 65 63 4.4-4.8 3916/4.0=35...(8) H VAL 126 - QD1 LEU 49 far 0 96 0 - 5.1-5.5 H LEU 49 - QD1 LEU 123 far 0 53 0 - 5.9-6.6 H ALA 110 - QG2 VAL 63 far 0 58 0 - 6.1-9.4 H TYR 72 - QD1 LEU 49 far 0 85 0 - 6.9-7.6 H GLY 111 - QG2 VAL 63 far 0 58 0 - 7.0-9.3 H LEU 43 - QD1 LEU 49 far 0 92 0 - 8.0-8.7 H SER 99 - QG2 VAL 63 far 0 53 0 - 8.0-8.9 H LEU 96 - QD1 LEU 49 far 0 63 0 - 8.0-8.6 H LEU 69 - QG2 VAL 63 far 0 58 0 - 8.8-9.1 H LEU 96 - QD1 LEU 123 far 0 27 0 - 9.1-9.7 H SER 99 - QD1 LEU 49 far 0 97 0 - 9.2-9.8 H LEU 49 - QG2 VAL 63 far 0 58 0 - 9.5-9.8 H SER 99 - QD1 LEU 123 far 0 48 0 - 9.9-11.1 H LEU 69 - QD1 LEU 123 far 0 52 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 1581 from cnoeabs.peaks (4.11, 0.91, 23.35 ppm; 3.45 A): 2 out of 15 assignments used, quality = 0.99: * HA LEU 49 + QD1 LEU 49 OK 98 100 100 98 3.4-3.5 4.1=61, 1573/2.1=57...(15) HA GLN 104 + QG2 VAL 63 OK 44 45 100 99 2.0-2.8 11433/2.1=49...(21) HA CYS 45 - QD1 LEU 49 far 14 92 15 - 3.9-4.6 HA LEU 48 - QD1 LEU 49 far 0 100 0 - 4.7-5.4 HA LEU 49 - QD1 LEU 123 far 0 53 0 - 5.1-6.0 HA GLN 101 - QG2 VAL 63 far 0 58 0 - 5.5-6.1 HA ALA 52 - QD1 LEU 123 far 0 31 0 - 7.4-7.8 HA LEU 48 - QD1 LEU 123 far 0 53 0 - 7.5-8.0 HA ALA 52 - QD1 LEU 49 far 0 71 0 - 7.5-8.1 HA LEU 49 - QG2 VAL 63 far 0 58 0 - 7.8-8.3 HA3 GLY 114 - QD1 LEU 123 far 0 42 0 - 8.6-10.9 HA LEU 98 - QG2 VAL 63 far 0 58 0 - 9.0-9.8 HA3 GLY 114 - QG2 VAL 63 far 0 46 0 - 9.1-12.3 HA CYS 45 - QD1 LEU 123 far 0 44 0 - 9.5-10.1 HA ALA 52 - QG2 VAL 63 far 0 34 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 1582 from cnoeabs.peaks (1.50, 0.91, 23.35 ppm; 3.41 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LEU 49 + QD1 LEU 49 OK 100 100 100 100 2.0-2.2 3.2=100 HG LEU 69 + QD1 LEU 49 OK 73 89 100 82 2.2-2.7 1574/2.1=29, ~11048=17...(20) HB2 LEU 53 - QD1 LEU 123 poor 11 32 35 - 3.3-4.3 HB2 LEU 49 - QD1 LEU 123 far 3 53 5 - 3.9-5.2 QB ALA 52 - QD1 LEU 49 far 0 87 0 - 4.9-5.4 QB ALA 52 - QD1 LEU 123 far 0 40 0 - 5.6-6.6 HG LEU 42 - QD1 LEU 49 far 0 97 0 - 6.1-6.7 QB ALA 52 - QG2 VAL 63 far 0 45 0 - 6.7-7.1 HG LEU 69 - QD1 LEU 123 far 0 42 0 - 7.2-7.7 HB2 LEU 53 - QD1 LEU 49 far 0 73 0 - 7.3-8.7 HB2 LEU 53 - QG2 VAL 63 far 0 36 0 - 8.8-10.6 HB2 LEU 49 - QG2 VAL 63 far 0 58 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 1583 from cnoeabs.peaks (1.92, 0.91, 23.35 ppm; 4.10 A): 5 out of 15 assignments used, quality = 1.00: * HB3 LEU 49 + QD1 LEU 49 OK 100 100 100 100 3.0-3.1 3.2=100 HB3 LEU 48 + QD1 LEU 49 OK 72 78 100 91 2.4-3.6 1567/2.1=22, 1.8/1501=21...(16) HB3 LEU 49 + QD1 LEU 123 OK 27 53 95 54 3.8-4.9 1.8/1553=23...(6) HG LEU 53 + QD1 LEU 123 OK 27 38 75 94 2.6-5.0 ~11422=55, ~11639=53...(12) HB3 LEU 123 + QD1 LEU 123 OK 22 22 100 100 2.4-2.7 3.2=100 HG LEU 53 - QD1 LEU 49 far 0 83 0 - 5.2-7.5 HB3 LEU 123 - QD1 LEU 49 far 0 53 0 - 6.0-7.2 HG LEU 53 - QG2 VAL 63 far 0 42 0 - 7.5-9.5 HB3 LEU 48 - QD1 LEU 123 far 0 35 0 - 7.8-8.5 HB3 LEU 49 - QG2 VAL 63 far 0 58 0 - 7.9-8.5 HB3 LEU 123 - QG2 VAL 63 far 0 25 0 - 9.0-10.0 HB2 LYS 95 - QD1 LEU 123 far 0 36 0 - 9.2-10.3 HB3 LYS 95 - QD1 LEU 123 far 0 32 0 - 9.4-10.6 HB2 LYS 95 - QD1 LEU 49 far 0 81 0 - 9.6-10.7 HB3 LYS 95 - QD1 LEU 49 far 0 73 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 1584 from cnoeabs.peaks (1.57, 0.91, 23.35 ppm; 3.43 A): 4 out of 14 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 123 OK 52 52 100 100 2.1-2.1 2.1=100 HG LEU 103 + QG2 VAL 63 OK 45 47 100 95 1.8-2.7 2.1/11822=32, 3942=27...(30) HB2 LEU 103 + QG2 VAL 63 OK 44 57 80 95 3.5-4.3 3.1/11822=24, ~10965=21...(29) HG LEU 49 - QD1 LEU 123 far 0 53 0 - 6.1-7.0 HB2 LEU 119 - QD1 LEU 123 far 0 28 0 - 6.5-7.5 HB2 LEU 119 - QG2 VAL 63 far 0 31 0 - 6.7-7.5 HG LEU 49 - QG2 VAL 63 far 0 58 0 - 7.0-7.6 HG LEU 123 - QD1 LEU 49 far 0 100 0 - 7.9-8.8 HB3 LEU 42 - QD1 LEU 49 far 0 63 0 - 8.0-8.7 HB2 LEU 119 - QD1 LEU 49 far 0 65 0 - 8.8-9.3 HB2 LEU 103 - QD1 LEU 49 far 0 100 0 - 8.9-9.8 HG LEU 103 - QD1 LEU 49 far 0 90 0 - 9.0-10.3 HB2 LEU 103 - QD1 LEU 123 far 0 52 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 1585 from cnoeabs.peaks (0.80, 0.91, 23.35 ppm; 2.57 A): 3 out of 28 assignments used, quality = 1.00: * QD2 LEU 49 + QD1 LEU 49 OK 100 100 100 100 1.9-2.1 2.1=100 QG1 VAL 63 + QG2 VAL 63 OK 50 50 100 100 1.9-2.1 2.1=100 QD1 LEU 53 + QD1 LEU 123 OK 32 53 80 77 1.9-3.6 11422/2.1=41...(14) QD1 LEU 103 - QG2 VAL 63 poor 15 49 30 - 2.9-3.7 QD1 LEU 96 - QD1 LEU 49 far 0 71 0 - 3.2-3.8 QD1 LEU 122 - QG2 VAL 63 far 0 54 0 - 3.7-6.1 QD1 LEU 122 - QD1 LEU 123 far 0 49 0 - 3.8-6.8 QD1 LEU 122 - QD1 LEU 49 far 0 97 0 - 3.9-5.5 QD1 LEU 53 - QD1 LEU 49 far 0 100 0 - 4.0-4.9 QD2 LEU 122 - QG2 VAL 63 far 0 54 0 - 4.1-6.3 QD2 LEU 119 - QG2 VAL 63 far 0 58 0 - 4.4-5.3 QD2 LEU 49 - QD1 LEU 123 far 0 53 0 - 4.5-5.5 QD2 LEU 122 - QD1 LEU 49 far 0 97 0 - 5.0-6.1 QD2 LEU 49 - QG2 VAL 63 far 0 58 0 - 5.4-5.7 QD2 LEU 122 - QD1 LEU 123 far 0 49 0 - 5.9-6.8 QD1 LEU 96 - QD1 LEU 123 far 0 31 0 - 5.9-6.7 QG2 ILE 129 - QD1 LEU 49 far 0 71 0 - 6.0-6.7 QD1 LEU 53 - QG2 VAL 63 far 0 58 0 - 6.1-7.6 QD1 LEU 96 - QG2 VAL 63 far 0 34 0 - 6.3-6.9 QG1 VAL 63 - QD1 LEU 49 far 0 93 0 - 6.5-7.4 QD1 LEU 70 - QD1 LEU 49 far 0 78 0 - 6.9-7.7 QD2 LEU 119 - QD1 LEU 123 far 0 52 0 - 7.0-7.8 QD2 LEU 119 - QD1 LEU 49 far 0 100 0 - 8.0-8.5 QG2 ILE 129 - QD1 LEU 123 far 0 31 0 - 8.0-8.3 QD1 LEU 103 - QD1 LEU 49 far 0 92 0 - 8.0-8.8 QD1 LEU 103 - QD1 LEU 123 far 0 44 0 - 8.4-9.3 QD1 LEU 70 - QG2 VAL 63 far 0 39 0 - 8.7-9.2 QD1 ILE 37 - QD1 LEU 49 far 0 87 0 - 9.1-9.7 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 3.1-4.1 6619/3.2=79, 6618/3.2=76...(22) H HIS 67 + QD1 LEU 49 OK 90 100 95 94 4.4-5.6 6864/9433=55...(9) H SER 60 + QG2 VAL 63 OK 56 56 100 100 3.9-4.4 ~2020=55, ~1902=54...(18) H SER 50 + QD1 LEU 123 OK 53 53 100 100 3.6-4.1 3.9/11339=63, ~11636=57...(21) H HIS 67 - QG2 VAL 63 far 0 58 0 - 5.5-5.8 H HIS 8 - QD1 LEU 123 far 0 53 0 - 8.0-49.7 H HIS 8 - QG2 VAL 63 far 0 58 0 - 8.5-45.3 Violated in 0 structures by 0.00 A. Peak 1588 from cnoeabs.peaks (8.66, 4.00, 62.52 ppm; 3.98 A): 1 out of 5 assignments used, quality = 1.00: * H SER 50 + HA SER 50 OK 100 100 100 100 2.7-2.8 2.9=100 H SER 50 - HB3 SER 51 far 0 71 0 - 4.9-6.3 H HIS 8 - HB2 SER 124 far 0 100 0 - 6.6-55.5 H HIS 8 - HA VAL 20 far 0 94 0 - 8.0-38.0 H SER 50 - HB2 SER 124 far 0 100 0 - 9.6-10.6 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): 2 out of 12 assignments used, quality = 1.00: * HB2 SER 50 + HA SER 50 OK 100 100 100 100 2.2-2.8 3.0=100 HA LEU 123 + HA SER 50 OK 82 97 95 88 2.8-4.3 4.0/11874=42...(12) HB2 SER 50 - HB3 SER 51 far 0 71 0 - 5.2-7.4 HA LEU 123 - HB2 SER 124 far 0 97 0 - 6.1-6.6 HB2 SER 130 - HA SER 50 far 0 90 0 - 7.8-10.2 HA LEU 62 - HA SER 50 far 0 99 0 - 8.1-8.7 HB2 SER 50 - HB2 SER 124 far 0 100 0 - 8.1-10.3 HA LEU 123 - HB3 SER 51 far 0 66 0 - 8.2-9.8 HA VAL 118 - HB2 SER 124 far 0 78 0 - 8.4-9.3 HB3 SER 33 - HA VAL 20 far 0 85 0 - 8.7-23.2 HA LEU 62 - HB3 SER 51 far 0 68 0 - 9.1-9.9 HB2 SER 130 - HB3 SER 51 far 0 59 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 1591 from cnoeabs.peaks (3.89, 4.00, 62.52 ppm; 3.91 A): 1 out of 11 assignments used, quality = 1.00: * HB3 SER 50 + HA SER 50 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 SER 50 - HB3 SER 51 poor 9 71 30 44 4.2-7.2 1607/3.8=28...(4) HA3 GLY 2 - HB3 SER 51 far 0 70 0 - 6.3-73.2 HA2 GLY 2 - HB3 SER 51 far 0 70 0 - 6.6-73.3 HB2 SER 33 - HA VAL 20 far 0 67 0 - 7.1-21.9 HA ALA 46 - HA SER 50 far 0 99 0 - 7.2-7.5 HA3 GLY 2 - HA SER 50 far 0 100 0 - 7.8-70.5 HA ALA 46 - HB3 SER 51 far 0 69 0 - 8.0-9.8 HA2 GLY 2 - HA SER 50 far 0 100 0 - 8.1-70.6 HB3 SER 50 - HB2 SER 124 far 0 100 0 - 8.4-11.0 HA LYS 86 - HA VAL 20 far 0 95 0 - 9.8-33.2 Violated in 0 structures by 0.00 A. Peak 1592 from cnoeabs.peaks (7.98, 4.00, 62.52 ppm; 4.69 A): 2 out of 6 assignments used, quality = 1.00: * H SER 51 + HA SER 50 OK 100 100 100 100 3.4-3.5 3.6=100 H SER 51 + HB3 SER 51 OK 71 71 100 100 2.3-3.6 3.8=100 H THR 18 - HA VAL 20 far 0 89 0 - 6.2-7.8 H ILE 129 - HB2 SER 124 far 0 84 0 - 7.4-8.0 H ILE 129 - HA SER 50 far 0 85 0 - 8.9-9.7 H VAL 57 - HB3 SER 51 far 0 47 0 - 9.7-12.1 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 9 assignments used, quality = 1.00: * HB2 LEU 53 + HA SER 50 OK 100 100 100 100 3.1-4.7 1.8/1653=99, 3.1/9218=96...(12) HB2 LEU 49 + HA SER 50 OK 73 73 100 100 4.0-4.6 ~6619=83, 6618/2.9=72...(16) HB2 LEU 22 + HA VAL 20 OK 60 67 95 95 4.4-6.7 4.0/10724=79...(4) HB2 LEU 49 - HB3 SER 51 far 0 45 0 - 6.6-8.0 HB2 LEU 53 - HB3 SER 51 far 0 71 0 - 6.7-8.7 HB2 LEU 119 - HA SER 50 far 0 73 0 - 7.9-8.6 HG LEU 69 - HA SER 50 far 0 99 0 - 8.1-8.6 HB2 LEU 53 - HB2 SER 124 far 0 100 0 - 8.7-9.6 HB2 LEU 49 - HB2 SER 124 far 0 73 0 - 9.5-10.8 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 15 assignments used, quality = 1.00: * HB3 LEU 53 + HA SER 50 OK 99 100 100 99 2.4-4.7 1653=65, 3.1/9218=64...(11) 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 0 52 0 - 5.8-16.3 HB2 GLU 55 - HB3 SER 51 far 0 71 0 - 6.1-9.0 HB3 LEU 53 - HB3 SER 51 far 0 71 0 - 6.7-8.3 HB3 GLU 30 - HA VAL 20 far 0 60 0 - 7.5-21.4 HB3 MET 11 - HA VAL 20 far 0 52 0 - 8.1-24.9 HB3 LEU 53 - HB2 SER 124 far 0 100 0 - 9.0-9.8 HG2 ARG 90 - HA VAL 20 far 0 52 0 - 9.3-32.4 HB ILE 129 - HB2 SER 124 far 0 98 0 - 9.3-10.9 HB3 PRO 117 - HB2 SER 124 far 0 91 0 - 9.3-10.2 HB3 MET 11 - HB2 SER 124 far 0 59 0 - 9.6-49.6 HB ILE 129 - HA SER 50 far 0 98 0 - 9.7-10.4 HG2 PRO 56 - HB3 SER 51 far 0 62 0 - 9.9-12.5 HB2 GLU 55 - HA SER 50 far 0 100 0 - 9.9-10.3 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 6 assignments used, quality = 1.00: * HA ASP 47 + HB2 SER 50 OK 100 100 100 100 2.9-4.4 1469=100, 1602/1.8=82...(7) HA ASP 47 + HB2 SER 130 OK 44 73 75 80 4.8-6.4 10901/11718=35, 1469=32...(8) HA GLN 134 - HB2 SER 130 far 0 67 0 - 6.4-9.2 HA CYS 125 - HB2 SER 130 far 0 65 0 - 7.8-10.6 HA LEU 69 - HB2 SER 130 far 0 65 0 - 8.0-10.5 HA CYS 125 - HB2 SER 50 far 0 96 0 - 8.0-9.9 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 5 assignments used, quality = 1.00: * H SER 50 + HB2 SER 50 OK 100 100 100 100 2.1-3.5 3.9=100 H SER 50 - HB2 SER 130 far 0 73 0 - 6.4-9.0 H HIS 8 - HB2 SER 50 far 0 100 0 - 9.6-60.0 H LYS 39 - HB2 SER 130 far 0 40 0 - 9.6-11.9 H HIS 8 - HB2 SER 130 far 0 72 0 - 9.7-57.1 Violated in 0 structures by 0.00 A. Peak 1598 from cnoeabs.peaks (4.00, 3.84, 62.56 ppm; 3.35 A): 2 out of 9 assignments used, quality = 1.00: * HA SER 50 + HB2 SER 50 OK 100 100 100 100 2.2-2.8 3.0=100 HA GLN 127 + HB2 SER 50 OK 38 65 80 73 2.9-4.6 4037=23, 2858/1.8=15...(12) HA GLN 127 - HB2 SER 130 poor 8 40 20 - 3.1-5.5 HB3 SER 51 - HB2 SER 50 far 0 92 0 - 5.2-7.4 HA SER 50 - HB2 SER 130 far 0 73 0 - 7.8-10.2 HB2 SER 124 - HB2 SER 50 far 0 100 0 - 8.1-10.3 HA ARG 135 - HB2 SER 130 far 0 51 0 - 8.4-10.6 HB3 SER 51 - HB2 SER 130 far 0 61 0 - 9.4-12.1 HA LEU 119 - HB2 SER 50 far 0 60 0 - 9.9-11.2 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): 1 out of 7 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 far 0 70 0 - 4.5-7.0 HA ALA 46 - HB2 SER 50 far 0 99 0 - 5.4-7.3 HB3 SER 50 - HB2 SER 130 far 0 73 0 - 6.0-8.3 HA3 GLY 2 - HB2 SER 50 far 0 100 0 - 6.8-71.5 HA2 GLY 2 - HB2 SER 50 far 0 100 0 - 7.6-71.5 HA ALA 41 - HB2 SER 130 far 0 51 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 1601 from cnoeabs.peaks (7.98, 3.84, 62.56 ppm; 4.34 A): 1 out of 4 assignments used, quality = 0.98: * H SER 51 + HB2 SER 50 OK 98 100 100 98 3.5-4.2 4.7=81, 1607/1.8=50...(12) H ILE 129 - HB2 SER 130 poor 11 55 20 - 4.7-6.5 H ILE 129 - HB2 SER 50 far 0 85 0 - 7.1-9.1 H SER 51 - HB2 SER 130 far 0 73 0 - 8.3-10.5 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 = 0.99: * HA ASP 47 + HB3 SER 50 OK 99 100 100 99 2.6-4.8 1469/1.8=88, 1470=51...(8) HA CYS 125 - HB3 SER 50 far 0 96 0 - 8.7-10.8 HA CYS 125 - HB2 SER 94 far 0 66 0 - 8.9-10.3 Violated in 2 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 - HB2 SER 94 far 0 73 0 - 8.1-47.3 H PHE 89 - HB2 SER 94 far 0 41 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 1604 from cnoeabs.peaks (4.00, 3.89, 62.56 ppm; 3.96 A): 4 out of 7 assignments used, quality = 1.00: * HA SER 50 + HB3 SER 50 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 SER 94 + HB2 SER 94 OK 46 46 100 100 1.8-1.8 1.8=100 HA GLN 127 + HB3 SER 50 OK 42 65 85 76 3.4-5.2 4037/1.8=29, 2858=23...(11) HA GLU 91 + HB2 SER 94 OK 25 60 100 41 3.5-4.5 2858=25, 2857/3.6=21 HB3 SER 51 - HB3 SER 50 poor 13 92 30 47 4.2-7.2 3.8/1607=28...(4) HA LYS 95 - HB2 SER 94 far 0 48 0 - 5.1-5.7 HB2 SER 124 - HB3 SER 50 far 0 100 0 - 8.4-11.0 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 HA LEU 123 - HB3 SER 50 far 5 97 5 - 3.9-5.8 HB2 SER 130 - HB3 SER 50 far 0 90 0 - 6.0-8.3 HA LEU 62 - HB3 SER 50 far 0 99 0 - 9.6-10.7 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 96 100 100 96 2.9-4.3 1601/1.8=63, 4.7=59...(16) H SER 94 + HB2 SER 94 OK 70 70 100 100 2.1-2.6 3.6=100 H ILE 129 - HB3 SER 50 far 0 85 0 - 7.7-9.6 H THR 18 - HB2 SER 94 far 0 67 0 - 9.6-39.7 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 VAL 57 - HA SER 51 far 0 76 0 - 9.9-10.7 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 2 assignments used, quality = 1.00: * HB2 SER 51 + HA SER 51 OK 100 100 100 100 3.0-3.0 2.9=100 HA GLN 127 - HA SER 51 far 0 65 0 - 8.2-9.6 Violated in 0 structures by 0.00 A. Peak 1611 from cnoeabs.peaks (3.98, 4.22, 61.16 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * HB3 SER 51 + HA SER 51 OK 100 100 100 100 2.4-2.7 2.9=100 HA SER 50 - HA SER 51 far 0 92 0 - 4.7-4.8 HA GLN 127 - HA SER 51 far 0 96 0 - 8.2-9.6 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 3.5-3.6 3.6=100 H LEU 48 - HA SER 51 far 0 89 0 - 6.9-7.5 H VAL 57 - HA SER 51 far 0 78 0 - 9.9-10.7 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 2 assignments used, quality = 1.00: * H THR 54 + HA SER 51 OK 100 100 100 100 3.4-4.0 6672=100, 6673/3.6=91...(5) HE22 GLN 61 - HA SER 51 far 0 97 0 - 7.9-11.4 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 4.6-4.9 1691=100, 4.0/6672=79, ~9223=29 Violated in 0 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 = 0.99: * HA LEU 48 + HB2 SER 51 OK 98 100 100 98 2.4-3.5 1492=76, 1621/1.8=75...(9) HA ALA 52 + HB2 SER 51 OK 60 76 90 89 4.0-4.8 2.9/1620=61, 3.6/9219=36...(7) HA LEU 49 - HB2 SER 51 far 0 100 0 - 5.1-5.4 HA CYS 45 - HB2 SER 51 far 0 95 0 - 7.6-8.6 Violated in 0 structures by 0.00 A. Peak 1616 from cnoeabs.peaks (7.98, 3.94, 62.66 ppm; 3.49 A): 1 out of 2 assignments used, quality = 0.96: * H SER 51 + HB2 SER 51 OK 96 100 100 96 2.2-2.8 3.8=74, 3.1/1620=46...(9) H VAL 57 - HB2 SER 51 far 0 76 0 - 9.8-11.0 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 1 assignment used, quality = 1.00: * HA SER 51 + HB2 SER 51 OK 100 100 100 100 3.0-3.0 2.9=100 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 4 assignments used, quality = 1.00: * HB3 SER 51 + HB2 SER 51 OK 100 100 100 100 1.8-1.8 1.8=100 HA SER 50 - HB2 SER 51 far 0 92 0 - 5.6-6.1 HA GLN 127 - HB2 SER 51 far 0 96 0 - 8.8-10.5 HA THR 65 - HB2 SER 51 far 0 97 0 - 9.2-10.1 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 3 assignments used, quality = 0.99: * H ALA 52 + HB2 SER 51 OK 99 100 100 99 2.2-2.9 6649=80, 3.1/1616=61...(12) H LEU 48 - HB2 SER 51 far 0 89 0 - 4.6-5.9 H VAL 57 - HB2 SER 51 far 0 78 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 1621 from cnoeabs.peaks (4.11, 3.98, 62.66 ppm; 3.92 A): 1 out of 12 assignments used, quality = 0.98: * HA LEU 48 + HB3 SER 51 OK 98 100 100 98 3.2-4.0 1493=87, 1615/1.8=70...(8) HA ALA 52 - HB3 SER 51 far 11 76 15 - 3.9-5.6 HA LEU 49 - HA SER 50 far 0 71 0 - 4.8-4.9 HA LEU 49 - HB3 SER 51 far 0 100 0 - 6.0-6.7 HA ALA 52 - HA SER 50 far 0 47 0 - 6.7-7.1 HA LEU 48 - HA SER 50 far 0 71 0 - 6.8-6.9 HA LEU 98 - HB3 SER 94 far 0 93 0 - 6.9-8.3 HA ILE 32 - HA VAL 20 far 0 74 0 - 7.6-18.1 HA CYS 45 - HB3 SER 51 far 0 95 0 - 7.9-9.3 HA CYS 79 - HA VAL 20 far 0 73 0 - 8.0-26.4 HA PHE 89 - HB3 SER 94 far 0 65 0 - 8.4-10.6 HA CYS 45 - HA SER 50 far 0 63 0 - 9.8-10.2 Violated in 3 structures by 0.00 A. Peak 1622 from cnoeabs.peaks (7.98, 3.98, 62.66 ppm; 4.48 A): 3 out of 7 assignments used, quality = 1.00: * H SER 51 + HB3 SER 51 OK 100 100 100 100 2.3-3.6 3.8=100 H SER 94 + HB3 SER 94 OK 90 90 100 100 2.5-3.6 3.6=100 H SER 51 + HA SER 50 OK 71 71 100 100 3.4-3.5 3.6=100 H THR 18 - HA VAL 20 far 0 68 0 - 6.2-7.8 H ILE 129 - HB2 SER 124 far 0 59 0 - 7.4-8.0 H ILE 129 - HA SER 50 far 0 54 0 - 8.9-9.7 H VAL 57 - HB3 SER 51 far 0 76 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 1623 from cnoeabs.peaks (4.22, 3.98, 62.66 ppm; 3.87 A): 3 out of 14 assignments used, quality = 1.00: * HA SER 51 + HB3 SER 51 OK 100 100 100 100 2.4-2.7 2.9=100 HA SER 94 + HB3 SER 94 OK 80 80 100 100 2.4-3.0 3.0=100 HA SER 124 + HB2 SER 124 OK 50 50 100 100 2.6-3.0 3.0=100 HA SER 51 - HA SER 50 far 0 71 0 - 4.7-4.8 HA SER 124 - HA SER 50 far 0 45 0 - 6.1-7.2 HA GLU 128 - HB2 SER 124 far 0 57 0 - 7.3-7.8 HB THR 25 - HA VAL 20 far 0 62 0 - 7.4-13.0 HA GLN 27 - HA VAL 20 far 0 41 0 - 7.5-15.9 HB THR 18 - HA VAL 20 far 0 49 0 - 7.7-8.7 HA ALA 88 - HB3 SER 94 far 0 84 0 - 8.2-10.5 HA GLU 30 - HA VAL 20 far 0 70 0 - 9.0-22.5 HA GLU 128 - HA SER 50 far 0 52 0 - 9.1-10.1 HA SER 99 - HB3 SER 94 far 0 93 0 - 9.5-10.9 HA ALA 28 - HA VAL 20 far 0 52 0 - 9.9-18.7 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 12 assignments used, quality = 1.00: * HB2 SER 51 + HB3 SER 51 OK 100 100 100 100 1.8-1.8 1.8=100 HA GLN 127 - HA SER 50 far 0 39 0 - 5.2-5.9 HB2 SER 51 - HA SER 50 far 0 71 0 - 5.6-6.1 HA3 GLY 17 - HA VAL 20 far 0 56 0 - 6.1-8.8 HA2 GLY 17 - HA VAL 20 far 0 56 0 - 6.2-8.8 HA2 GLY 17 - HB3 SER 94 far 0 74 0 - 7.4-41.6 HA3 GLY 14 - HB3 SER 94 far 0 65 0 - 7.6-40.4 HA GLN 127 - HB3 SER 51 far 0 65 0 - 7.8-10.5 HA2 GLY 14 - HB3 SER 94 far 0 63 0 - 7.9-39.4 HA3 GLY 17 - HB3 SER 94 far 0 74 0 - 8.0-40.5 HA GLN 127 - HB2 SER 124 far 0 44 0 - 8.1-8.3 HA3 GLY 14 - HA VAL 20 far 0 49 0 - 9.5-18.6 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): 3 out of 14 assignments used, quality = 1.00: * H ALA 52 + HB3 SER 51 OK 100 100 100 100 2.9-3.7 1620/1.8=87, 4.6=78...(12) H CYS 125 + HB2 SER 124 OK 65 66 100 99 2.8-3.6 4.5=83, 3.4/7769=61...(9) H ALA 52 + HA SER 50 OK 28 71 40 98 4.5-5.1 6645/2.9=47, 3.3/6657=46...(13) H LEU 48 - HB3 SER 51 far 4 89 5 - 4.7-6.3 H CYS 125 - HA SER 50 far 0 60 0 - 6.8-7.8 H LEU 48 - HA SER 50 far 0 57 0 - 7.1-7.3 H ALA 16 - HB3 SER 94 far 0 93 0 - 7.2-43.9 H ILE 129 - HB2 SER 124 far 0 46 0 - 7.4-8.0 H ALA 16 - HA VAL 20 far 0 74 0 - 7.7-12.7 H CYS 79 - HA VAL 20 far 0 62 0 - 8.4-27.6 H SER 130 - HA SER 50 far 0 69 0 - 8.8-9.5 H ILE 129 - HA SER 50 far 0 41 0 - 8.9-9.7 H SER 130 - HB2 SER 124 far 0 75 0 - 9.5-10.4 H VAL 57 - HB3 SER 51 far 0 78 0 - 9.7-12.1 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 3 assignments used, quality = 1.00: * H ALA 52 + HA ALA 52 OK 100 100 100 100 2.8-2.9 2.9=100 H VAL 57 - HA ALA 52 far 0 78 0 - 5.7-6.7 H LEU 48 - HA ALA 52 far 0 89 0 - 8.4-9.0 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 - 7.8-8.3 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 3.4-3.5 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): 2 out of 5 assignments used, quality = 0.96: * HA LEU 49 + QB ALA 52 OK 86 100 100 86 2.4-3.2 2.9/9247=36, 1545=32...(12) HA ALA 52 + QB ALA 52 OK 71 71 100 100 2.1-2.1 2.1=100 HA LEU 48 - QB ALA 52 far 5 100 5 - 4.1-5.0 HA CYS 45 - QB ALA 52 far 0 92 0 - 7.5-8.1 HA3 GLY 114 - QB ALA 52 far 0 89 0 - 7.7-11.2 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 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 VAL 57 - QB ALA 52 far 0 78 0 - 5.1-5.9 H LEU 48 - QB ALA 52 far 0 89 0 - 6.0-6.6 H CYS 125 - QB ALA 52 far 0 92 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 1633 from cnoeabs.peaks (4.13, 1.48, 18.03 ppm; 3.31 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 50 71 100 70 2.4-3.2 2.9/9247=29, 1545=15...(11) HA LEU 48 - QB ALA 52 far 0 76 0 - 4.1-5.0 HA CYS 45 - QB ALA 52 far 0 97 0 - 7.5-8.1 HA3 GLY 114 - QB ALA 52 far 0 99 0 - 7.7-11.2 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 2.6-3.1 3.7=100 H CYS 45 - QB ALA 52 far 0 65 0 - 9.7-10.3 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 2.8-2.9 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 2.4-3.0 3.0=100 HB2 LEU 119 + HA LEU 53 OK 51 73 95 73 3.7-4.7 3.1/11621=46...(8) HB2 LEU 49 - HA LEU 53 far 0 73 0 - 7.3-8.3 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 5 assignments used, quality = 1.00: * HB3 LEU 53 + HA LEU 53 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 GLU 55 - HA LEU 53 far 0 100 0 - 6.6-7.2 HB3 PRO 56 - HA LEU 53 far 0 99 0 - 8.4-9.3 HG2 PRO 56 - HA LEU 53 far 0 93 0 - 8.9-9.6 HG3 PRO 56 - HA LEU 53 far 0 93 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 1640 from cnoeabs.peaks (1.94, 4.18, 56.53 ppm; 4.29 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 53 + HA LEU 53 OK 100 100 100 100 2.9-3.7 4.3=100 HB3 LEU 49 - HA LEU 53 far 0 83 0 - 6.0-7.0 HB2 PRO 113 - HA LEU 53 far 0 68 0 - 7.4-10.5 HG2 PRO 113 - HA LEU 53 far 0 100 0 - 9.7-12.5 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 8 assignments used, quality = 1.00: * QD1 LEU 53 + HA LEU 53 OK 100 100 100 100 2.0-4.0 3.8=100 QD2 LEU 119 + HA LEU 53 OK 73 99 95 78 3.9-4.6 11621=61, 1683/1679=23...(4) QD1 LEU 122 - HA LEU 53 far 0 95 0 - 5.8-9.6 QD2 LEU 49 - HA LEU 53 far 0 100 0 - 5.9-7.4 QD2 LEU 122 - HA LEU 53 far 0 99 0 - 6.5-9.1 QD1 LEU 103 - HA LEU 53 far 0 96 0 - 6.6-8.1 QD1 LEU 96 - HA LEU 53 far 0 78 0 - 8.7-10.1 QG1 VAL 63 - HA LEU 53 far 0 97 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 1642 from cnoeabs.peaks (0.97, 4.18, 56.53 ppm; 3.48 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 53 + HA LEU 53 OK 100 100 100 100 1.8-2.5 1679=100, 2.1/1640=54...(12) QD1 LEU 119 - HA LEU 53 far 0 71 0 - 5.7-6.2 QG1 VAL 57 - HA LEU 53 far 0 87 0 - 5.7-6.3 QG2 VAL 126 - HA LEU 53 far 0 100 0 - 7.6-9.0 QG1 VAL 126 - HA LEU 53 far 0 97 0 - 7.8-8.9 QG1 VAL 112 - HA LEU 53 far 0 100 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 1643 from cnoeabs.peaks (7.55, 4.18, 56.53 ppm; 5.12 A): 1 out of 3 assignments used, quality = 1.00: * H THR 54 + HA LEU 53 OK 100 100 100 100 3.3-3.5 3.6=100 HE22 GLN 61 - HA LEU 53 far 5 97 5 - 5.0-11.1 H LEU 119 - HA LEU 53 far 0 99 0 - 7.1-8.3 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 6 assignments used, quality = 1.00: * HA SER 50 + HB2 LEU 53 OK 100 100 100 100 3.1-4.7 1653/1.8=100...(12) HA LEU 119 + HB2 LEU 53 OK 57 60 95 100 4.5-7.1 11001/11809=75...(20) HB3 SER 51 - HB2 LEU 53 far 5 92 5 - 6.7-8.7 HA GLN 127 - HB2 LEU 53 far 0 65 0 - 8.3-9.8 HB2 SER 124 - HB2 LEU 53 far 0 100 0 - 8.7-9.6 HB3 SER 99 - HB2 LEU 53 far 0 98 0 - 9.2-11.6 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 2.2-3.6 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 1 assignment used, quality = 1.00: * HA LEU 53 + HB2 LEU 53 OK 100 100 100 100 2.4-3.0 3.0=100 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 2 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 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 1649 from cnoeabs.peaks (1.94, 1.52, 42.44 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 53 + HB2 LEU 53 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 49 - HB2 LEU 53 far 4 83 5 - 5.2-6.9 HB2 PRO 113 - HB2 LEU 53 far 0 68 0 - 8.6-12.0 Violated in 0 structures by 0.00 A. Peak 1650 from cnoeabs.peaks (0.79, 1.52, 42.44 ppm; 4.02 A): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 53 + HB2 LEU 53 OK 100 100 100 100 2.4-3.2 3.1=100 QD2 LEU 119 - HB2 LEU 53 far 0 99 0 - 4.8-6.5 QD2 LEU 49 - HB2 LEU 53 far 0 100 0 - 5.4-7.4 QD1 LEU 122 - HB2 LEU 53 far 0 95 0 - 5.6-9.3 QD2 LEU 122 - HB2 LEU 53 far 0 99 0 - 6.0-8.8 QD1 LEU 103 - HB2 LEU 53 far 0 96 0 - 7.1-9.2 QD1 LEU 96 - HB2 LEU 53 far 0 78 0 - 7.9-9.8 Violated in 0 structures by 0.00 A. Peak 1651 from cnoeabs.peaks (0.97, 1.52, 42.44 ppm; 4.41 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 53 + HB2 LEU 53 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 119 - HB2 LEU 53 far 0 71 0 - 5.9-7.7 QG2 VAL 126 - HB2 LEU 53 far 0 100 0 - 6.7-8.6 QG1 VAL 126 - HB2 LEU 53 far 0 97 0 - 6.9-8.4 QG1 VAL 57 - HB2 LEU 53 far 0 87 0 - 7.5-8.3 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 3.0-4.2 4.6=100 H LEU 119 + HB2 LEU 53 OK 54 99 55 99 6.6-9.1 ~11845=82, ~11725=50...(9) HE22 GLN 61 - HB2 LEU 53 far 5 97 5 - 7.4-13.3 Violated in 0 structures by 0.00 A. Peak 1653 from cnoeabs.peaks (4.00, 1.99, 42.44 ppm; 6.03 A): 2 out of 5 assignments used, quality = 1.00: * HA SER 50 + HB3 LEU 53 OK 100 100 100 100 2.4-4.7 9218/3.1=97...(11) HA LEU 119 + HB3 LEU 53 OK 24 60 40 99 5.9-7.4 11845/3.1=62...(18) HB3 SER 51 - HB3 LEU 53 far 0 92 0 - 6.7-8.3 HA GLN 127 - HB3 LEU 53 far 0 65 0 - 7.6-9.6 HB2 SER 124 - HB3 LEU 53 far 0 100 0 - 9.0-9.8 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 2.2-3.5 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 1 assignment used, quality = 1.00: * HA LEU 53 + HB3 LEU 53 OK 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1656 from cnoeabs.peaks (1.52, 1.99, 42.44 ppm; 4.19 A): 1 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 far 0 73 0 - 5.3-6.2 HB2 LEU 49 - HB3 LEU 53 far 0 73 0 - 5.5-7.8 HG LEU 69 - HB3 LEU 53 far 0 99 0 - 9.5-12.4 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 3 assignments used, quality = 1.00: * HG LEU 53 + HB3 LEU 53 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 LEU 49 + HB3 LEU 53 OK 56 83 70 96 4.3-6.9 1674/3.1=35, 1682/3.1=28...(20) HB2 PRO 113 - HB3 LEU 53 far 0 68 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 1659 from cnoeabs.peaks (0.79, 1.99, 42.44 ppm; 4.37 A): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 53 + HB3 LEU 53 OK 100 100 100 100 1.9-3.2 3.1=100 QD2 LEU 49 - HB3 LEU 53 far 0 100 0 - 5.1-7.6 QD1 LEU 122 - HB3 LEU 53 far 0 95 0 - 5.3-9.0 QD2 LEU 119 - HB3 LEU 53 far 0 99 0 - 6.0-6.7 QD2 LEU 122 - HB3 LEU 53 far 0 99 0 - 6.7-8.8 QD1 LEU 96 - HB3 LEU 53 far 0 78 0 - 7.8-9.9 QD1 LEU 103 - HB3 LEU 53 far 0 96 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 1660 from cnoeabs.peaks (0.97, 1.99, 42.44 ppm; 4.46 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 53 + HB3 LEU 53 OK 100 100 100 100 2.4-3.2 3.1=100 QG1 VAL 126 - HB3 LEU 53 far 0 97 0 - 5.9-8.3 QG2 VAL 126 - HB3 LEU 53 far 0 100 0 - 6.3-8.5 QD1 LEU 119 - HB3 LEU 53 far 0 71 0 - 6.8-7.9 QG1 VAL 57 - HB3 LEU 53 far 0 87 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 1661 from cnoeabs.peaks (7.55, 1.99, 42.44 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * H THR 54 + HB3 LEU 53 OK 100 100 100 100 2.9-3.6 4.6=100 HE22 GLN 61 - HB3 LEU 53 far 5 97 5 - 7.1-12.4 H LEU 119 - HB3 LEU 53 far 0 99 0 - 8.2-9.4 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 2.1-4.2 6667/2.1=95, 6668/2.1=94...(19) 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 1 assignment used, quality = 1.00: * HA LEU 53 + HG LEU 53 OK 100 100 100 100 2.9-3.7 4.3=100 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 2.2-3.0 3.0=100 HB2 LEU 119 + HG LEU 53 OK 72 73 100 98 4.1-5.6 ~11845=65, ~11725=39...(16) HB2 LEU 49 + HG LEU 53 OK 47 73 65 99 4.6-6.7 1672/2.1=37, ~1674=36...(17) HG LEU 69 - HG LEU 53 far 0 99 0 - 8.4-10.6 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 3 assignments used, quality = 1.00: * HB3 LEU 53 + HG LEU 53 OK 100 100 100 100 2.3-2.8 3.0=100 HB2 GLU 55 - HG LEU 53 far 0 100 0 - 8.6-10.4 HB VAL 63 - HG LEU 53 far 0 63 0 - 9.7-12.4 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): 2 out of 8 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 60 90 3.6-5.9 1575=21, ~1552=17...(17) QD1 LEU 122 - HG LEU 53 far 5 95 5 - 3.4-7.3 QD2 LEU 119 - HG LEU 53 far 0 99 0 - 5.3-5.8 QD2 LEU 122 - HG LEU 53 far 0 99 0 - 5.4-7.3 QD1 LEU 103 - HG LEU 53 far 0 96 0 - 6.6-8.0 QD1 LEU 96 - HG LEU 53 far 0 78 0 - 6.7-8.0 QG1 VAL 63 - HG LEU 53 far 0 97 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 1668 from cnoeabs.peaks (0.97, 1.94, 27.00 ppm; 3.94 A): 1 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 QG2 VAL 126 - HG LEU 53 far 0 100 0 - 5.4-6.9 QG1 VAL 126 - HG LEU 53 far 0 97 0 - 5.5-7.1 QD1 LEU 119 - HG LEU 53 far 0 71 0 - 6.1-7.6 QG1 VAL 57 - HG LEU 53 far 0 87 0 - 6.6-8.7 Violated in 0 structures by 0.00 A. Peak 1670 from cnoeabs.peaks (7.71, 0.79, 26.18 ppm; 4.29 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 53 + QD1 LEU 53 OK 100 100 100 100 1.9-3.6 6667=100, 6668/2.1=83...(21) H LEU 98 + QD2 LEU 122 OK 26 68 60 65 4.3-6.9 3.8/11382=30...(11) H LYS 95 - QD2 LEU 122 far 0 89 0 - 5.9-8.9 H LEU 53 - QD2 LEU 122 far 0 93 0 - 7.5-9.1 H LEU 98 - QD1 LEU 53 far 0 78 0 - 9.8-11.6 H CYS 45 - QD1 LEU 53 far 0 65 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 1671 from cnoeabs.peaks (4.18, 0.79, 26.18 ppm; 4.39 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 53 + QD1 LEU 53 OK 100 100 100 100 2.0-4.0 3.8=100 HA LEU 53 - QD2 LEU 122 far 0 93 0 - 6.5-9.1 HA GLU 128 - QD1 LEU 53 far 0 87 0 - 8.6-11.0 HA VAL 105 - QD2 LEU 122 far 0 86 0 - 9.2-11.0 HA GLU 128 - QD2 LEU 122 far 0 76 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 1672 from cnoeabs.peaks (1.52, 0.79, 26.18 ppm; 3.39 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 53 + QD1 LEU 53 OK 100 100 100 100 2.4-3.2 3.1=100 HB2 LEU 49 + QD1 LEU 53 OK 58 73 90 88 2.9-4.1 1.8/1674=31, 3.0/1541=22...(20) HB2 LEU 119 - QD1 LEU 53 far 7 73 10 - 3.6-5.4 HB2 LEU 119 - QD2 LEU 122 far 0 63 0 - 4.4-7.6 HB2 LEU 53 - QD2 LEU 122 far 0 93 0 - 6.0-8.8 HB2 LEU 49 - QD2 LEU 122 far 0 63 0 - 6.0-7.2 HG LEU 69 - QD1 LEU 53 far 0 99 0 - 6.1-7.8 HG LEU 69 - QD2 LEU 122 far 0 91 0 - 6.2-8.1 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 12 assignments used, quality = 1.00: * HB3 LEU 53 + QD1 LEU 53 OK 100 100 100 100 1.9-3.2 3.1=100 HB VAL 63 - QD2 LEU 122 far 0 54 0 - 6.3-8.6 HB3 LEU 53 - QD2 LEU 122 far 0 93 0 - 6.7-8.8 HB3 PRO 117 - QD2 LEU 122 far 0 82 0 - 6.9-8.7 HB2 GLU 55 - QD1 LEU 53 far 0 100 0 - 7.2-9.2 HB ILE 129 - QD2 LEU 122 far 0 89 0 - 7.7-10.8 HB ILE 129 - QD1 LEU 53 far 0 98 0 - 8.1-10.4 HB VAL 63 - QD1 LEU 53 far 0 63 0 - 8.2-9.8 HB3 PRO 56 - QD1 LEU 53 far 0 99 0 - 9.0-11.6 HG2 PRO 56 - QD1 LEU 53 far 0 93 0 - 9.2-11.6 HB3 PRO 117 - QD1 LEU 53 far 0 92 0 - 9.4-10.4 HG3 PRO 56 - QD1 LEU 53 far 0 93 0 - 9.9-12.1 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 11 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 73 83 100 88 1.7-2.9 1.8/1552=27, 3.0/1541=21...(21) HB3 LYS 95 - QD2 LEU 122 far 0 93 0 - 4.7-7.9 HB3 LEU 49 - QD2 LEU 122 far 0 72 0 - 4.8-6.1 HB2 LYS 95 - QD2 LEU 122 far 0 93 0 - 5.2-8.8 HG LEU 53 - QD2 LEU 122 far 0 93 0 - 5.4-7.3 HB3 LYS 95 - QD1 LEU 53 far 0 100 0 - 8.8-11.3 HB2 PRO 113 - QD1 LEU 53 far 0 68 0 - 8.9-12.2 HB2 PRO 58 - QD1 LEU 53 far 0 95 0 - 9.0-11.5 HB2 LYS 95 - QD1 LEU 53 far 0 100 0 - 9.0-12.0 HB2 PRO 58 - QD2 LEU 122 far 0 85 0 - 9.9-13.0 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): 1 out of 12 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 far 9 93 10 - 3.1-4.8 QD2 LEU 53 - QD2 LEU 122 far 5 93 5 - 3.2-5.9 QG2 VAL 126 - QD1 LEU 53 far 0 100 0 - 3.4-5.1 QG1 VAL 126 - QD1 LEU 53 far 0 97 0 - 3.5-5.1 QG1 VAL 57 - QD1 LEU 53 far 0 87 0 - 5.2-7.6 QD1 LEU 119 - QD2 LEU 122 far 0 61 0 - 5.2-7.8 QG1 VAL 126 - QD2 LEU 122 far 0 88 0 - 5.3-6.6 QD1 LEU 119 - QD1 LEU 53 far 0 71 0 - 5.4-6.8 QG1 VAL 105 - QD2 LEU 122 far 0 91 0 - 7.2-8.7 QG1 VAL 57 - QD2 LEU 122 far 0 76 0 - 8.5-11.2 QG1 VAL 112 - QD1 LEU 53 far 0 100 0 - 8.9-11.2 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 6 assignments used, quality = 1.00: * H THR 54 + QD1 LEU 53 OK 100 100 100 100 4.0-5.1 4.6=100 H LEU 119 + QD2 LEU 122 OK 82 91 90 100 4.2-6.8 ~3764=58, ~3764=58...(25) H LEU 119 + QD1 LEU 53 OK 39 99 40 99 6.0-7.1 ~11845=80, ~11725=48...(13) HE22 GLN 61 - QD1 LEU 53 far 0 97 0 - 6.7-10.3 HE22 GLN 61 - QD2 LEU 122 far 0 88 0 - 8.0-13.6 H THR 54 - QD2 LEU 122 far 0 93 0 - 9.0-10.9 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 1 assignment used, quality = 1.00: * H LEU 53 + QD2 LEU 53 OK 100 100 100 100 2.3-4.1 4.3=100 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 1 assignment used, quality = 1.00: * HA LEU 53 + QD2 LEU 53 OK 100 100 100 100 1.8-2.5 1642=100, 1640/2.1=57...(12) Violated in 0 structures by 0.00 A. Peak 1680 from cnoeabs.peaks (1.52, 0.97, 25.20 ppm; 3.50 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 53 + QD2 LEU 53 OK 100 100 100 100 2.1-3.2 3.1=100 HB2 LEU 119 + QD2 LEU 53 OK 61 73 100 83 1.9-2.8 2.9/11845=54...(12) HB2 LEU 49 - QD2 LEU 53 far 0 73 0 - 4.8-6.6 HG LEU 69 - QD2 LEU 53 far 0 99 0 - 7.8-10.0 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 7 assignments used, quality = 1.00: * HB3 LEU 53 + QD2 LEU 53 OK 100 100 100 100 2.4-3.2 3.1=100 HB2 GLU 55 - QD2 LEU 53 far 0 100 0 - 7.1-8.3 HB VAL 63 - QD2 LEU 53 far 0 63 0 - 7.4-9.4 HB3 PRO 117 - QD2 LEU 53 far 0 92 0 - 8.0-9.2 HB3 PRO 56 - QD2 LEU 53 far 0 99 0 - 8.4-9.9 HG2 PRO 56 - QD2 LEU 53 far 0 93 0 - 9.0-10.2 HG3 PRO 56 - QD2 LEU 53 far 0 93 0 - 9.6-10.8 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 7 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 53 83 70 91 3.4-5.3 1674/2.1=31, ~1552=19...(21) HB2 PRO 113 - QD2 LEU 53 far 0 68 0 - 7.8-10.3 HB2 PRO 58 - QD2 LEU 53 far 0 95 0 - 8.7-9.9 HG2 PRO 113 - QD2 LEU 53 far 0 100 0 - 9.6-11.8 HB3 LYS 95 - QD2 LEU 53 far 0 100 0 - 9.6-11.0 HB2 LYS 95 - QD2 LEU 53 far 0 100 0 - 10.0-12.2 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 10 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 40 99 65 62 2.7-3.5 3790/11845=30...(9) QD2 LEU 49 - QD2 LEU 53 far 15 100 15 - 3.3-5.6 QD1 LEU 122 - QD2 LEU 53 far 14 95 15 - 3.1-6.3 QD2 LEU 122 - QD2 LEU 53 far 5 99 5 - 3.2-5.9 QD1 LEU 103 - QD2 LEU 53 far 0 96 0 - 4.2-5.7 QD1 LEU 96 - QD2 LEU 53 far 0 78 0 - 5.3-7.4 QG1 VAL 63 - QD2 LEU 53 far 0 97 0 - 6.6-8.7 QG2 ILE 129 - QD2 LEU 53 far 0 63 0 - 9.6-11.3 QD1 LEU 70 - QD2 LEU 53 far 0 71 0 - 9.9-11.9 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): 2 out of 3 assignments used, quality = 1.00: * H THR 54 + QD2 LEU 53 OK 100 100 100 100 4.1-5.0 4.6=100 H LEU 119 + QD2 LEU 53 OK 98 99 100 99 4.5-5.3 2.8/11845=96...(13) HE22 GLN 61 - QD2 LEU 53 far 15 97 15 - 5.0-10.3 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 2.9-2.9 3.0=100 HE22 GLN 61 - HA THR 54 far 0 97 0 - 8.3-13.7 H LEU 119 - HA THR 54 far 0 99 0 - 9.8-11.9 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 1 assignment used, quality = 1.00: * HB THR 54 + HA THR 54 OK 100 100 100 100 2.3-2.5 3.0=100 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 2.4-3.2 1698=100, 6684/3.0=44...(6) QG2 THR 65 - HA THR 54 far 0 96 0 - 9.9-10.9 Violated in 3 structures by 0.01 A. Peak 1690 from cnoeabs.peaks (7.75, 4.42, 61.58 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 55 + HA THR 54 OK 100 100 100 100 3.1-3.4 3.6=100 Violated in 0 structures by 0.00 A. Peak 1691 from cnoeabs.peaks (4.22, 4.46, 69.33 ppm; 4.96 A increased from 4.41 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 51 + HB THR 54 OK 100 100 100 100 4.6-4.9 1614=100, 6672/4.0=52, ~9223=17 HA SER 124 - HB THR 54 far 0 73 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 1692 from cnoeabs.peaks (7.55, 4.46, 69.33 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * H THR 54 + HB THR 54 OK 100 100 100 100 3.2-3.7 4.0=100 HE22 GLN 61 - HB THR 54 far 0 97 0 - 9.3-14.3 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 2.3-2.5 3.0=100 HA ASN 120 - HB THR 54 far 0 100 0 - 7.2-10.3 HA HIS 5 - HB THR 54 far 0 95 0 - 9.0-65.8 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 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 1696 from cnoeabs.peaks (7.75, 4.46, 69.33 ppm; 4.66 A increased from 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 55 + HB THR 54 OK 100 100 100 100 4.3-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 1697 from cnoeabs.peaks (7.55, 1.24, 21.56 ppm; 3.45 A): 1 out of 3 assignments used, quality = 1.00: * H THR 54 + QG2 THR 54 OK 100 100 100 100 1.7-2.6 6684=100, 3.0/1698=64...(9) HE22 GLN 61 - QG2 THR 54 far 0 97 0 - 6.5-11.5 H LEU 119 - QG2 THR 54 far 0 99 0 - 9.2-10.7 Violated in 0 structures by 0.00 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 2.4-3.2 3.2=100 HA ASN 120 - QG2 THR 54 far 0 100 0 - 5.7-7.4 HA HIS 5 - QG2 THR 54 far 0 95 0 - 6.2-53.0 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 - 9.4-11.0 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 1 assignment used, quality = 1.00: * H GLU 55 + QG2 THR 54 OK 100 100 100 100 2.7-4.2 4.2=98, 6687/6684=74...(7) Violated in 1 structures by 0.00 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 5 assignments used, quality = 1.00: * HB2 GLU 55 + HA GLU 55 OK 100 100 100 100 2.5-2.7 3.0=100 HB3 PRO 56 + HA GLU 55 OK 95 97 100 98 4.8-4.9 3.0/1732=51, 3.0/1734=51...(22) HG3 PRO 56 + HA GLU 55 OK 87 89 100 98 4.5-4.6 2.3/1732=53, 2.3/1734=52...(18) HG2 PRO 56 + HA GLU 55 OK 87 89 100 98 4.5-4.7 2.3/1732=53, 2.3/1734=52...(18) HB3 LEU 53 - HA GLU 55 far 0 100 0 - 7.5-8.0 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 2 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 0 85 0 - 9.1-11.6 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 1 assignment used, quality = 1.00: * HG2 GLU 55 + HA GLU 55 OK 100 100 100 100 3.5-3.6 3.9=100 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 2.4-4.1 3.9=100 HG3 GLN 61 - HA GLU 55 far 0 89 0 - 9.5-11.1 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 3.5-3.8 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 2.5-2.7 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 2 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 - HB2 GLU 55 far 0 92 0 - 9.6-9.9 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 1 assignment used, quality = 1.00: * HG2 GLU 55 + HB2 GLU 55 OK 100 100 100 100 2.5-2.9 3.0=100 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 - 8.0-9.4 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 2.3-3.7 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): 1 out of 5 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 far 0 89 0 - 4.8-5.5 HG3 PRO 56 - HB3 GLU 55 far 0 89 0 - 5.2-6.3 HB3 PRO 56 - HB3 GLU 55 far 0 97 0 - 6.2-6.7 HB3 LEU 53 - HB3 GLU 55 far 0 100 0 - 6.9-8.4 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 2.3-3.0 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 - 8.1-10.6 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 1.9-4.2 6694=100, 6695/1.8=78...(10) Violated in 2 structures by 0.01 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 3.5-3.6 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): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 55 + HG2 GLU 55 OK 100 100 100 100 2.5-2.9 3.0=100 HG2 PRO 81 - HG3 GLN 82 poor 12 61 20 - 2.3-8.1 HG2 PRO 56 - HG2 GLU 55 far 0 89 0 - 5.7-6.2 HB3 LEU 53 - HG2 GLU 55 far 0 100 0 - 5.8-8.6 HG3 PRO 56 - HG2 GLU 55 far 0 89 0 - 6.3-7.1 HB3 PRO 56 - HG2 GLU 55 far 0 97 0 - 7.0-7.6 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 8 assignments used, quality = 1.00: * HB3 GLU 55 + HG2 GLU 55 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 PRO 81 - HG3 GLN 82 far 3 60 5 - 2.3-6.9 HG3 ARG 135 - HG3 GLN 82 far 0 60 0 - 4.6-8.1 HB2 LEU 62 - HG2 GLU 55 far 0 92 0 - 8.5-11.9 QE MET 11 - HG3 GLN 82 far 0 64 0 - 9.1-42.9 HB3 MET 11 - HG3 GLN 82 far 0 48 0 - 9.2-49.1 HG2 PRO 58 - HG2 GLU 55 far 0 92 0 - 9.4-11.7 HB2 GLN 134 - HG3 GLN 82 far 0 45 0 - 9.6-12.7 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 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 61 - HG2 GLU 55 far 0 89 0 - 6.8-10.0 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 2.9-4.4 6695=100, 6694/1.8=81...(11) H GLU 55 - HG3 GLN 61 far 0 67 0 - 7.7-9.2 HE22 GLN 68 - HG3 GLN 61 far 0 64 0 - 8.1-10.2 Violated in 1 structures by 0.01 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 2.4-4.1 3.9=100 HA GLU 55 - HG3 GLN 61 far 0 67 0 - 9.5-11.1 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 9 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 0 89 0 - 4.6-6.6 HG3 PRO 56 - HG3 GLU 55 far 0 89 0 - 5.0-7.3 HB3 PRO 56 - HG3 GLU 55 far 0 97 0 - 6.3-7.9 HB3 LEU 53 - HG3 GLU 55 far 0 100 0 - 6.5-9.3 HB2 GLU 55 - HG3 GLN 61 far 0 67 0 - 8.0-9.4 HB3 LEU 53 - HG3 GLN 61 far 0 67 0 - 8.8-10.2 HG2 PRO 56 - HG3 GLN 61 far 0 54 0 - 9.3-10.9 HB3 PRO 56 - HG3 GLN 61 far 0 62 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 1729 from cnoeabs.peaks (2.04, 2.40, 33.76 ppm; 3.87 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 HG2 PRO 58 - HG3 GLN 61 poor 11 57 20 - 4.1-4.6 HB2 LEU 62 - HG3 GLN 61 far 0 57 0 - 4.9-6.1 HB VAL 63 - HG3 GLN 61 far 0 49 0 - 6.6-7.0 HB3 GLU 55 - HG3 GLN 61 far 0 67 0 - 8.1-10.6 HG2 PRO 58 - HG3 GLU 55 far 0 92 0 - 8.6-12.3 HB2 LEU 62 - HG3 GLU 55 far 0 92 0 - 9.6-12.5 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 2 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 - 6.8-10.0 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 2.4-2.6 3.8=100 HA GLU 55 + HD3 PRO 56 OK 96 96 100 100 2.3-2.4 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 2.4-2.6 3.8=100 HD3 PRO 56 + HA GLU 55 OK 99 99 100 100 2.3-2.4 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 2.3-2.4 3.8=100 HA GLU 55 + HD2 PRO 56 OK 96 96 100 100 2.4-2.6 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 2.3-2.4 3.8=100 HD2 PRO 56 + HA GLU 55 OK 99 99 100 100 2.4-2.6 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 2 assignments used, quality = 1.00: * HB2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 4.0-4.0 3.0=100 HB2 PRO 56 + HD3 PRO 56 OK 96 96 100 100 3.9-3.9 3.0=100 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 10 assignments used, quality = 1.00: * HB3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 3.9-3.9 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 1.8-2.2 4.8=75, 3.0/9283=58...(20) HB3 PRO 56 + HD3 PRO 56 OK 96 96 100 100 3.0-3.0 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 3.3-3.6 4.8=75, 6692/4.8=47...(25) HB3 LEU 53 - HD3 PRO 56 far 0 93 0 - 9.4-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 99 0 - 9.6-9.9 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 10 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 3.9-3.9 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 3.0-3.0 3.0=100 HB2 GLU 55 + HD2 PRO 56 OK 89 89 100 100 1.8-2.2 4.8=75, 3.0/9283=58...(20) HB2 GLU 55 + HD3 PRO 56 OK 81 81 100 100 3.3-3.6 4.8=75, 6692/4.8=43...(25) HB3 LEU 53 - HD3 PRO 56 far 0 86 0 - 9.4-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 93 0 - 9.6-9.9 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 10 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 3.9-3.9 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 3.0-3.0 3.0=100 HB2 GLU 55 + HD2 PRO 56 OK 89 89 100 100 1.8-2.2 4.8=75, 3.0/9283=58...(20) HB2 GLU 55 + HD3 PRO 56 OK 81 81 100 100 3.3-3.6 4.8=75, 6692/4.8=43...(25) HB3 LEU 53 - HD3 PRO 56 far 0 86 0 - 9.4-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 93 0 - 9.6-9.9 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 2 assignments used, quality = 1.00: * HB2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.9-3.9 3.0=100 HB2 PRO 56 + HD2 PRO 56 OK 96 96 100 100 4.0-4.0 3.0=100 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 10 assignments used, quality = 1.00: * HB3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.0 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 3.3-3.6 4.8=69, 6692/4.8=44...(25) HB3 PRO 56 + HD2 PRO 56 OK 96 96 100 100 3.9-3.9 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 1.8-2.2 4.8=69, 3.0/9283=57...(20) HB3 LEU 53 - HD3 PRO 56 far 0 99 0 - 9.4-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 93 0 - 9.6-9.9 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 10 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 3.0-3.0 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 3.9-3.9 3.0=100 HB2 GLU 55 + HD3 PRO 56 OK 89 89 100 100 3.3-3.6 4.8=70, 6692/4.8=41...(25) HB2 GLU 55 + HD2 PRO 56 OK 81 81 100 100 1.8-2.2 4.8=70, 3.0/9283=57...(20) HB3 LEU 53 - HD3 PRO 56 far 0 93 0 - 9.4-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 86 0 - 9.6-9.9 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 10 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 3.0-3.0 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 3.9-3.9 3.0=100 HB2 GLU 55 + HD3 PRO 56 OK 89 89 100 100 3.3-3.6 4.8=70, 6692/4.8=41...(25) HB2 GLU 55 + HD2 PRO 56 OK 81 81 100 100 1.8-2.2 4.8=70, 3.0/9283=57...(20) HB3 LEU 53 - HD3 PRO 56 far 0 93 0 - 9.4-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 86 0 - 9.6-9.9 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 2.7-2.7 2.3=100 HB VAL 112 - HA PRO 56 far 4 87 5 - 7.3-8.5 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 6 assignments used, quality = 1.00: * HB3 PRO 56 + HA PRO 56 OK 100 100 100 100 2.3-2.3 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 97 97 100 99 4.6-4.8 9315/10920=82...(7) HB3 LEU 53 - HA PRO 56 far 0 99 0 - 8.4-9.7 HG2 PRO 58 - HA PRO 56 far 0 68 0 - 8.5-8.6 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 6 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 2.3-2.3 2.3=100 HB2 GLU 55 + HA PRO 56 OK 87 89 100 98 4.6-4.8 9315/10920=68...(7) HB3 LEU 53 - HA PRO 56 far 0 93 0 - 8.4-9.7 HG2 PRO 58 - HA PRO 56 far 0 85 0 - 8.5-8.6 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 6 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 2.3-2.3 2.3=100 HB2 GLU 55 + HA PRO 56 OK 87 89 100 98 4.6-4.8 9315/10920=68...(7) HB3 LEU 53 - HA PRO 56 far 0 93 0 - 8.4-9.7 HG2 PRO 58 - HA PRO 56 far 0 85 0 - 8.5-8.6 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 1 assignment used, quality = 1.00: * HA PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 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 5 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 2.3-2.3 2.3=100 HG3 PRO 56 + HB2 PRO 56 OK 99 99 100 100 2.7-2.7 2.3=100 HB2 GLU 55 - HB2 PRO 56 far 0 97 0 - 5.1-5.3 HG2 PRO 58 - HB2 PRO 56 far 0 68 0 - 8.4-8.9 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 5 assignments used, quality = 1.00: * HG2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.7-2.7 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 - 5.1-5.3 HG2 PRO 58 - HB2 PRO 56 far 0 85 0 - 8.4-8.9 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 5 assignments used, quality = 1.00: HG2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 * HG3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.7-2.7 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 - 5.1-5.3 HG2 PRO 58 - HB2 PRO 56 far 0 85 0 - 8.4-8.9 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 4.0-4.0 3.0=100 HD3 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 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 3.9-3.9 3.0=100 HD2 PRO 56 + HB2 PRO 56 OK 99 99 100 100 4.0-4.0 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 1 assignment used, quality = 1.00: * H VAL 57 + HB2 PRO 56 OK 100 100 100 100 3.9-4.0 3.9=100 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 5 assignments used, quality = 1.00: * HA PRO 56 + HB3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HA ASN 13 - HB2 GLU 91 far 3 55 5 - 4.0-43.1 HA HIS 10 - HB2 GLU 91 far 0 27 0 - 5.4-45.4 HA HIS 6 - HB3 GLU 30 far 0 25 0 - 7.1-49.8 HA HIS 7 - HB3 GLU 30 far 0 34 0 - 7.5-49.7 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 3 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 2.2-3.0 3.0=100 HB VAL 112 - HB3 PRO 56 far 0 87 0 - 8.3-9.5 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 2 assignments used, quality = 1.00: * HD2 PRO 56 + HB3 PRO 56 OK 100 100 100 100 3.9-3.9 3.0=100 HD3 PRO 56 + HB3 PRO 56 OK 99 99 100 100 3.0-3.0 3.0=100 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 2 assignments used, quality = 1.00: * HD3 PRO 56 + HB3 PRO 56 OK 100 100 100 100 3.0-3.0 3.0=100 HD2 PRO 56 + HB3 PRO 56 OK 99 99 100 100 3.9-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1775 from cnoeabs.peaks (8.01, 2.00, 29.23 ppm; 5.27 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 57 + HB3 PRO 56 OK 100 100 100 100 4.2-4.4 3.9=100 H SER 94 - HB2 GLU 91 far 0 47 0 - 6.2-6.4 H ILE 129 - HB2 GLU 91 far 0 56 0 - 8.2-10.7 H ALA 16 - HB2 GLU 91 far 0 34 0 - 9.2-46.3 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 4 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 81 far 0 70 0 - 7.8-44.6 HA PRO 56 - HG2 PRO 58 far 0 51 0 - 8.5-8.6 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 4 assignments used, quality = 1.00: * HB2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 PRO 56 - HG2 PRO 58 far 0 51 0 - 8.4-8.9 HB VAL 112 - HG2 PRO 58 far 0 38 0 - 8.7-10.7 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 6 assignments used, quality = 1.00: H VAL 57 + HG3 PRO 56 OK 100 100 100 100 5.8-5.8 6697/3.8=100, ~9322=45...(6) * H VAL 57 + HG2 PRO 56 OK 100 100 100 100 5.0-5.0 6697/3.8=100...(5) H VAL 57 + HG2 PRO 58 OK 38 51 100 74 6.5-6.6 ~10921=51, 3.0/9322=46 H SER 38 - HG2 PRO 81 far 0 43 0 - 9.1-12.5 H ALA 16 - HG2 PRO 81 far 0 45 0 - 9.7-44.4 H ALA 52 - HG2 PRO 56 far 0 78 0 - 10.0-10.4 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 4 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 81 far 0 70 0 - 7.8-44.6 HA PRO 56 - HG2 PRO 58 far 0 51 0 - 8.5-8.6 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 4 assignments used, quality = 1.00: HB2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 * HB2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 PRO 56 - HG2 PRO 58 far 0 51 0 - 8.4-8.9 HB VAL 112 - HG2 PRO 58 far 0 38 0 - 8.7-10.7 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 6 assignments used, quality = 1.00: * H VAL 57 + HG3 PRO 56 OK 100 100 100 100 5.8-5.8 6697/3.8=100, ~9322=45...(6) H VAL 57 + HG2 PRO 56 OK 100 100 100 100 5.0-5.0 6697/3.8=100...(5) H VAL 57 + HG2 PRO 58 OK 38 51 100 74 6.5-6.6 ~10921=51, 3.0/9322=46 H SER 38 - HG2 PRO 81 far 0 43 0 - 9.1-12.5 H ALA 16 - HG2 PRO 81 far 0 45 0 - 9.7-44.4 H ALA 52 - HG2 PRO 56 far 0 78 0 - 10.0-10.4 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 2 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 52 - HA VAL 57 far 0 78 0 - 8.8-9.5 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): 1 out of 6 assignments used, quality = 1.00: * HB VAL 57 + HA VAL 57 OK 100 100 100 100 2.6-2.7 3.0=100 HB3 GLN 61 - HA VAL 57 far 10 97 10 - 4.2-4.9 HG3 PRO 58 - HA VAL 57 far 0 87 0 - 4.4-4.5 HB2 GLN 61 - HA VAL 57 far 0 99 0 - 4.8-5.9 HB VAL 112 - HA VAL 57 far 0 63 0 - 7.9-9.6 HG3 PRO 113 - HA VAL 57 far 0 60 0 - 9.4-11.4 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 1 assignment used, quality = 1.00: * QG2 VAL 57 + HA VAL 57 OK 100 100 100 100 3.1-3.2 3.2=100 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 5 assignments used, quality = 1.00: * QG1 VAL 57 + HA VAL 57 OK 100 100 100 100 2.1-2.2 3.2=100 QD2 LEU 53 - HA VAL 57 far 0 87 0 - 7.1-8.4 QG2 VAL 112 - HA VAL 57 far 0 71 0 - 7.2-8.1 QG1 VAL 112 - HA VAL 57 far 0 85 0 - 7.7-9.0 QD1 LEU 119 - HA VAL 57 far 0 99 0 - 8.0-8.8 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 3 assignments used, quality = 1.00: * H VAL 57 + HB VAL 57 OK 100 100 100 100 3.7-3.8 4.0=100 H ALA 52 - HB VAL 57 far 0 78 0 - 7.0-7.7 H SER 51 - HB VAL 57 far 0 76 0 - 9.5-10.1 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 2.6-2.7 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 2 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 - 9.1-9.9 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 7 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 far 0 87 0 - 5.4-6.9 QD1 LEU 119 - HB VAL 57 far 0 99 0 - 7.3-8.0 QG2 VAL 112 - HB VAL 57 far 0 71 0 - 7.9-8.9 QG1 VAL 112 - HB VAL 57 far 0 85 0 - 8.4-9.9 QD1 LEU 48 - HB VAL 57 far 0 71 0 - 8.8-9.8 QD1 LEU 123 - HB VAL 57 far 0 81 0 - 9.9-11.1 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 3 assignments used, quality = 0.99: * H VAL 57 + QG2 VAL 57 OK 99 100 100 99 2.0-2.3 6706=94, 6707/2.1=47...(11) H ALA 52 - QG2 VAL 57 far 0 78 0 - 4.6-5.1 H SER 51 - QG2 VAL 57 far 0 76 0 - 6.7-7.0 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 3.1-3.2 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 7 assignments used, quality = 1.00: * HB VAL 57 + QG2 VAL 57 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 GLN 61 - QG2 VAL 57 far 0 97 0 - 3.7-4.5 HB2 GLN 61 - QG2 VAL 57 far 0 99 0 - 4.9-5.6 HG3 PRO 58 - QG2 VAL 57 far 0 87 0 - 5.8-6.1 HB VAL 112 - QG2 VAL 57 far 0 63 0 - 6.9-8.1 HG3 PRO 113 - QG2 VAL 57 far 0 60 0 - 7.6-9.6 HB VAL 126 - QG2 VAL 57 far 0 92 0 - 9.5-9.9 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 9 assignments used, quality = 1.00: * QG1 VAL 57 + QG2 VAL 57 OK 100 100 100 100 2.0-2.1 2.1=100 QD2 LEU 53 - QG2 VAL 57 far 0 87 0 - 3.4-4.6 QD1 LEU 119 - QG2 VAL 57 far 0 99 0 - 5.4-6.0 QG1 VAL 112 - QG2 VAL 57 far 0 85 0 - 6.7-7.9 QG2 VAL 112 - QG2 VAL 57 far 0 71 0 - 6.9-7.5 QD1 LEU 123 - QG2 VAL 57 far 0 81 0 - 7.0-7.8 QD1 LEU 48 - QG2 VAL 57 far 0 71 0 - 7.5-8.1 QG2 VAL 126 - QG2 VAL 57 far 0 92 0 - 8.2-8.7 QG1 VAL 126 - QG2 VAL 57 far 0 99 0 - 8.2-8.7 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 3 assignments used, quality = 1.00: * H VAL 57 + QG1 VAL 57 OK 100 100 100 100 3.5-3.6 6707=100, 1802/2.1=89...(12) H ALA 52 - QG1 VAL 57 far 0 78 0 - 5.3-5.9 H SER 51 - QG1 VAL 57 far 0 76 0 - 7.4-8.0 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 2.1-2.2 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): 2 out of 6 assignments used, quality = 1.00: * HB VAL 57 + QG1 VAL 57 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 GLN 61 + QG1 VAL 57 OK 81 97 85 99 3.4-4.0 3.0/9377=40, 9378/2.1=38...(27) HB2 GLN 61 - QG1 VAL 57 poor 20 99 20 - 3.7-4.5 HG3 PRO 58 - QG1 VAL 57 far 0 87 0 - 4.4-4.7 HB VAL 112 - QG1 VAL 57 far 0 63 0 - 8.4-9.8 HG3 PRO 113 - QG1 VAL 57 far 0 60 0 - 9.4-11.3 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 3 assignments used, quality = 1.00: * QG2 VAL 57 + QG1 VAL 57 OK 100 100 100 100 2.0-2.1 2.1=100 QD2 LEU 123 - QG1 VAL 57 far 0 78 0 - 8.0-8.4 QD2 LEU 69 - QG1 VAL 57 far 0 99 0 - 9.3-10.0 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 2.3-2.5 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 2.3-2.5 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 2.3-2.3 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 2 assignments used, quality = 1.00: * HD3 PRO 58 + HA VAL 57 OK 100 100 100 100 2.3-2.3 3.8=100 HA LEU 62 - HA VAL 57 far 0 68 0 - 7.6-8.2 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 2 assignments used, quality = 1.00: * HB2 PRO 58 + HD2 PRO 58 OK 100 100 100 100 4.0-4.0 3.0=100 HG LEU 53 - HD2 PRO 58 far 0 95 0 - 9.3-11.6 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 3.9-3.9 3.0=100 HG3 GLN 61 + HD2 PRO 58 OK 100 100 100 100 3.7-4.9 10935=98, 10937/9309=80...(12) HG3 GLU 55 - HD2 PRO 58 far 0 92 0 - 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 6 assignments used, quality = 1.00: * HG2 PRO 58 + HD2 PRO 58 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 56 - HD2 PRO 58 far 0 85 0 - 7.1-7.4 HB3 GLU 55 - HD2 PRO 58 far 0 92 0 - 7.8-9.3 HB3 PRO 56 - HD2 PRO 58 far 0 68 0 - 7.9-8.1 HG3 PRO 56 - HD2 PRO 58 far 0 85 0 - 8.6-8.9 HB VAL 63 - HD2 PRO 58 far 0 100 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 1820 from cnoeabs.peaks (2.07, 3.62, 50.62 ppm; 3.80 A): 4 out of 5 assignments used, quality = 1.00: * HG3 PRO 58 + HD2 PRO 58 OK 100 100 100 100 2.7-2.7 2.3=100 HB VAL 57 + HD2 PRO 58 OK 87 87 100 100 1.9-2.6 2.1/9309=78, 9302=72...(18) HB2 GLN 61 + HD2 PRO 58 OK 56 68 100 83 2.6-3.5 3.0/10935=38...(10) HB3 GLN 61 + HD2 PRO 58 OK 52 60 100 87 2.4-2.7 3.0/10935=38...(11) HB2 LEU 62 - HD2 PRO 58 far 0 92 0 - 6.8-7.9 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 2 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 - 6.5-6.8 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 1 assignment used, quality = 1.00: * HB2 PRO 58 + HD3 PRO 58 OK 100 100 100 100 3.9-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1826 from cnoeabs.peaks (2.41, 3.82, 50.62 ppm; 4.85 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 58 + HD3 PRO 58 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 GLN 61 - HD3 PRO 58 far 5 100 5 - 5.4-6.6 HG3 GLU 55 - HD3 PRO 58 far 0 92 0 - 7.4-10.9 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 5 assignments used, quality = 1.00: * HG2 PRO 58 + HD3 PRO 58 OK 100 100 100 100 3.0-3.0 2.3=100 HG2 PRO 56 - HD3 PRO 58 far 0 85 0 - 6.6-7.1 HB3 PRO 56 - HD3 PRO 58 far 0 68 0 - 7.1-7.6 HG3 PRO 56 - HD3 PRO 58 far 0 85 0 - 8.0-8.5 HB3 GLU 55 - HD3 PRO 58 far 0 92 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 1828 from cnoeabs.peaks (2.07, 3.82, 50.62 ppm; 3.61 A): 4 out of 5 assignments used, quality = 1.00: * HG3 PRO 58 + HD3 PRO 58 OK 100 100 100 100 2.3-2.3 2.3=100 HB VAL 57 + HD3 PRO 58 OK 87 87 100 100 3.4-3.9 2.1/9308=71, 9303=56...(17) HB3 GLN 61 + HD3 PRO 58 OK 46 60 85 89 3.9-4.3 ~10935=24, ~10934=23...(15) HB2 GLN 61 + HD3 PRO 58 OK 27 68 45 86 4.0-4.9 ~10935=24, ~10934=23...(14) HB2 LEU 62 - HD3 PRO 58 far 0 92 0 - 8.1-9.3 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 2 assignments used, quality = 1.00: * HB2 PRO 58 + HA PRO 58 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 113 - HA PRO 58 far 0 89 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 1834 from cnoeabs.peaks (2.41, 4.45, 62.57 ppm; 3.79 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 58 + HA PRO 58 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 GLN 61 - HA PRO 58 far 0 100 0 - 6.2-7.6 HG3 GLU 55 - HA PRO 58 far 0 92 0 - 9.3-12.2 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 5 assignments used, quality = 1.00: * HG2 PRO 58 + HA PRO 58 OK 100 100 100 100 3.9-3.9 3.8=100 HB3 PRO 56 - HA PRO 58 far 0 68 0 - 8.0-8.4 HG2 PRO 56 - HA PRO 58 far 0 85 0 - 8.7-9.0 HB VAL 63 - HA PRO 58 far 0 100 0 - 8.7-9.3 HG3 PRO 56 - HA PRO 58 far 0 85 0 - 9.6-10.0 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 6 assignments used, quality = 1.00: * HG3 PRO 58 + HA PRO 58 OK 100 100 100 100 4.0-4.0 3.8=100 HB VAL 57 + HA PRO 58 OK 84 87 100 97 4.7-4.8 9302/3.6=58, 9303/3.6=56...(8) HB3 GLN 61 + HA PRO 58 OK 40 60 100 67 4.6-4.8 1844/2.3=19, 1860/3.8=16...(8) HB2 GLN 61 - HA PRO 58 far 0 68 0 - 5.4-6.3 HB2 LEU 62 - HA PRO 58 far 0 92 0 - 6.6-8.0 HG3 PRO 113 - HA PRO 58 far 0 97 0 - 8.7-10.6 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 0 68 0 - 7.8-8.3 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 2.2-2.2 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 2 assignments used, quality = 1.00: * HA PRO 58 + HB2 PRO 58 OK 100 100 100 100 2.7-2.7 2.3=100 HA ASP 64 - HB2 PRO 58 far 0 100 0 - 10.0-10.5 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): 1 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 GLU 97 - HB2 LYS 95 far 0 73 0 - 5.6-5.9 HG3 GLU 97 - HB3 LYS 95 far 0 80 0 - 5.9-6.3 HG3 GLN 61 - HB2 PRO 58 far 0 100 0 - 5.9-6.5 HG3 GLU 128 - HB2 LYS 95 far 0 72 0 - 6.3-8.4 HG3 GLU 128 - HB3 LYS 95 far 0 79 0 - 7.2-9.7 HG2 GLN 101 - HB3 LYS 95 far 0 77 0 - 9.3-11.8 HG2 GLN 101 - HB2 LYS 95 far 0 70 0 - 10.0-12.6 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 12 assignments used, quality = 1.00: * HG2 PRO 58 + HB2 PRO 58 OK 100 100 100 100 2.3-2.3 2.3=100 QE MET 11 - HB2 LYS 95 far 0 67 0 - 5.1-37.5 QE MET 11 - HB3 LYS 95 far 0 74 0 - 5.6-38.0 HB3 GLU 91 - HB2 LYS 95 far 0 75 0 - 6.0-7.9 HB3 GLU 91 - HB3 LYS 95 far 0 83 0 - 7.3-8.8 HB VAL 63 - HB2 PRO 58 far 0 100 0 - 7.3-7.7 HB3 MET 11 - HB2 LYS 95 far 0 76 0 - 7.4-42.8 HB3 MET 11 - HB3 LYS 95 far 0 84 0 - 7.9-43.5 HB ILE 129 - HB2 LYS 95 far 0 49 0 - 8.5-10.1 HB ILE 129 - HB3 LYS 95 far 0 55 0 - 9.3-11.6 HG2 ARG 90 - HB2 LYS 95 far 0 76 0 - 10.0-11.4 HB3 PRO 117 - HB3 LYS 95 far 0 68 0 - 10.0-11.2 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 8 assignments used, quality = 1.00: * HG3 PRO 58 + HB2 PRO 58 OK 100 100 100 100 2.7-2.7 2.3=100 HB3 GLN 61 + HB2 PRO 58 OK 24 60 50 79 3.6-4.1 4.0/10981=15, ~10935=14...(17) HB2 GLN 61 - HB2 PRO 58 far 0 68 0 - 4.0-4.8 HB VAL 57 - HB2 PRO 58 far 0 87 0 - 5.2-5.5 HB2 LEU 62 - HB2 PRO 58 far 0 92 0 - 6.8-8.2 HB2 GLU 128 - HB2 LYS 95 far 0 73 0 - 6.8-7.5 HB2 GLU 128 - HB3 LYS 95 far 0 80 0 - 7.5-8.6 HB2 GLU 102 - HB3 LYS 95 far 0 79 0 - 9.5-11.2 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 1 assignment used, quality = 1.00: * HD2 PRO 58 + HB2 PRO 58 OK 100 100 100 100 4.0-4.0 3.0=100 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 12 assignments used, quality = 1.00: * HD3 PRO 58 + HB2 PRO 58 OK 100 100 100 100 3.9-3.9 3.0=100 HB2 SER 9 - HB3 LYS 95 far 0 71 0 - 6.3-44.9 HB2 SER 9 - HB2 LYS 95 far 0 64 0 - 6.8-44.1 HA ARG 90 - HB2 LYS 95 far 0 45 0 - 7.1-8.4 HB3 SER 9 - HB3 LYS 95 far 0 73 0 - 7.3-43.1 HA LEU 62 - HB2 PRO 58 far 0 68 0 - 7.6-7.9 HB3 SER 9 - HB2 LYS 95 far 0 65 0 - 8.1-42.4 HA VAL 118 - HB3 LYS 95 far 0 84 0 - 8.2-9.0 HA ARG 90 - HB3 LYS 95 far 0 51 0 - 8.7-9.5 HA VAL 118 - HB2 LYS 95 far 0 76 0 - 9.0-10.6 HA LEU 123 - HB3 LYS 95 far 0 47 0 - 9.4-11.0 HA LEU 123 - HB2 LYS 95 far 0 41 0 - 9.5-10.7 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 1 assignment used, quality = 1.00: * H ASN 59 + HB2 PRO 58 OK 100 100 100 100 3.3-3.6 4.3=100 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 2.3-2.3 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 1 assignment used, quality = 1.00: * HB2 PRO 58 + HB3 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 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 4 assignments used, quality = 1.00: * HG2 PRO 58 + HB3 PRO 58 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 56 - HB3 PRO 58 far 0 68 0 - 8.9-9.5 HB VAL 63 - HB3 PRO 58 far 0 100 0 - 9.0-9.4 HG2 PRO 56 - HB3 PRO 58 far 0 85 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 1852 from cnoeabs.peaks (2.07, 2.41, 32.16 ppm; 3.74 A): 1 out of 5 assignments used, quality = 1.00: * HG3 PRO 58 + HB3 PRO 58 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 GLN 61 - HB3 PRO 58 far 0 60 0 - 4.6-5.0 HB2 GLN 61 - HB3 PRO 58 far 0 68 0 - 4.9-5.7 HB VAL 57 - HB3 PRO 58 far 0 87 0 - 5.3-5.6 HB2 LEU 62 - HB3 PRO 58 far 0 92 0 - 8.0-9.4 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 3.9-3.9 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 3.0-3.0 3.0=100 HA LEU 62 - HB3 PRO 58 far 0 68 0 - 8.8-9.1 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 3.8-4.0 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 3.9-3.9 3.8=100 HA PRO 58 - HG2 PRO 56 far 0 51 0 - 8.7-9.0 HA ASP 64 - HG2 PRO 58 far 0 100 0 - 9.2-9.7 HB THR 54 - HG3 PRO 56 far 0 47 0 - 9.3-10.3 HB THR 54 - HG2 PRO 56 far 0 47 0 - 9.4-10.4 HA PRO 58 - HG3 PRO 56 far 0 51 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 1857 from cnoeabs.peaks (1.95, 2.03, 27.78 ppm; 4.35 A): 2 out of 7 assignments used, quality = 1.00: * HB2 PRO 58 + HG2 PRO 58 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 ARG 90 + HG2 ARG 90 OK 61 61 100 100 3.0-3.0 2.9=100 HB3 LYS 86 - HG2 ARG 90 far 0 60 0 - 5.1-7.3 HB2 MET 11 - HG2 ARG 90 far 0 35 0 - 6.1-39.9 HG2 PRO 113 - HG3 PRO 56 far 0 40 0 - 7.3-9.5 HG2 PRO 113 - HG2 PRO 56 far 0 40 0 - 8.2-10.4 HB2 LYS 95 - HG2 ARG 90 far 0 55 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 1858 from cnoeabs.peaks (2.41, 2.03, 27.78 ppm; 3.58 A): 1 out of 9 assignments used, quality = 1.00: * HB3 PRO 58 + HG2 PRO 58 OK 100 100 100 100 3.0-3.0 2.3=100 HG3 GLN 61 - HG2 PRO 58 far 5 100 5 - 4.1-4.6 HG3 GLU 55 - HG2 PRO 56 far 0 42 0 - 4.6-6.6 HG3 GLU 55 - HG3 PRO 56 far 0 42 0 - 5.0-7.3 HG3 GLU 55 - HG2 PRO 58 far 0 92 0 - 8.6-12.3 HG3 GLU 128 - HG2 ARG 90 far 0 57 0 - 9.0-10.3 HB3 PRO 58 - HG2 PRO 56 far 0 51 0 - 9.2-9.7 HG3 GLN 61 - HG2 PRO 56 far 0 50 0 - 9.3-10.9 HG3 GLU 97 - HG2 ARG 90 far 0 57 0 - 9.5-10.7 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): 3 out of 12 assignments used, quality = 1.00: * HG3 PRO 58 + HG2 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 61 + HG2 PRO 58 OK 29 68 100 43 1.9-2.7 ~10935=8, ~10934=8...(12) HB3 GLN 61 + HG2 PRO 58 OK 28 60 100 47 1.9-2.4 ~10935=8, ~10934=8...(13) HB VAL 57 - HG2 PRO 58 far 0 87 0 - 3.6-4.1 HB2 LEU 62 - HG2 PRO 58 far 0 92 0 - 6.5-7.8 HB VAL 57 - HG2 PRO 56 far 0 38 0 - 6.9-7.1 HB VAL 57 - HG3 PRO 56 far 0 38 0 - 8.4-8.5 HG3 PRO 113 - HG3 PRO 56 far 0 46 0 - 8.6-10.8 HG3 PRO 58 - HG2 PRO 56 far 0 51 0 - 8.9-9.3 HB3 GLN 61 - HG2 PRO 56 far 0 24 0 - 9.1-9.7 HG3 PRO 113 - HG2 PRO 56 far 0 46 0 - 9.3-11.6 HB2 GLN 61 - HG2 PRO 56 far 0 28 0 - 9.5-10.6 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 2.3-2.3 2.3=100 HD2 PRO 58 - HG2 PRO 56 far 0 51 0 - 7.1-7.4 HD2 PRO 58 - HG3 PRO 56 far 0 51 0 - 8.6-8.9 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 6 assignments used, quality = 1.00: * HD3 PRO 58 + HG2 PRO 58 OK 100 100 100 100 3.0-3.0 2.3=100 HA ARG 90 + HG2 ARG 90 OK 35 35 100 100 2.6-3.1 3.8=94, 2.9/7219=63...(22) HA LEU 62 - HG2 PRO 58 far 0 68 0 - 6.5-6.7 HD3 PRO 58 - HG2 PRO 56 far 0 51 0 - 6.6-7.1 HD3 PRO 58 - HG3 PRO 56 far 0 51 0 - 8.0-8.5 HB3 SER 9 - HG2 ARG 90 far 0 51 0 - 10.0-45.6 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 2 assignments used, quality = 1.00: * H ASN 59 + HG2 PRO 58 OK 100 100 100 100 4.8-5.0 6712=100, 6710/2.3=92...(8) H GLY 66 - HG2 PRO 58 far 0 99 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 1864 from cnoeabs.peaks (4.45, 2.07, 27.78 ppm; 4.83 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 58 + HG3 PRO 58 OK 100 100 100 100 4.0-4.0 3.8=100 HB THR 54 - HB2 GLN 127 far 0 73 0 - 8.4-11.7 HA PRO 58 - HG3 PRO 113 far 0 60 0 - 8.7-10.6 HA ASN 120 - HB2 GLN 127 far 0 37 0 - 9.0-9.4 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 3 assignments used, quality = 1.00: * HB2 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 113 + HG3 PRO 113 OK 47 47 100 100 1.8-1.8 1.8=100 HG LEU 53 - HB2 GLN 127 far 0 68 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. Peak 1866 from cnoeabs.peaks (2.41, 2.07, 27.78 ppm; 4.52 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 GLN 61 - HG3 PRO 58 far 0 100 0 - 5.6-6.1 HG3 GLU 128 - HB2 GLN 127 far 0 72 0 - 6.2-7.6 HG3 GLU 55 - HG3 PRO 58 far 0 92 0 - 9.1-12.8 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 9 assignments used, quality = 1.00: * HG2 PRO 58 + HG3 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PRO 56 - HG3 PRO 113 far 0 34 0 - 6.4-8.6 HB ILE 129 - HB2 GLN 127 far 0 49 0 - 7.3-7.8 QE MET 11 - HB2 GLN 127 far 0 67 0 - 7.5-44.5 HG3 PRO 56 - HG3 PRO 113 far 0 44 0 - 8.6-10.8 HG2 PRO 56 - HG3 PRO 58 far 0 85 0 - 8.9-9.3 HB VAL 63 - HG3 PRO 58 far 0 100 0 - 8.9-9.4 HG2 PRO 56 - HG3 PRO 113 far 0 44 0 - 9.3-11.6 HB3 PRO 56 - HG3 PRO 58 far 0 68 0 - 9.4-9.9 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 1 assignment used, quality = 1.00: * HD2 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.7-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 1870 from cnoeabs.peaks (3.82, 2.07, 27.78 ppm; 4.25 A): 2 out of 7 assignments used, quality = 1.00: * HD3 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 SER 50 + HB2 GLN 127 OK 42 60 75 93 2.8-5.6 4037/3.0=47...(17) HA LEU 123 - HB2 GLN 127 far 0 41 0 - 5.3-6.3 HB2 SER 130 - HB2 GLN 127 far 0 77 0 - 5.3-7.5 HA LEU 62 - HG3 PRO 58 far 0 68 0 - 8.2-8.5 HB2 SER 9 - HB2 GLN 127 far 0 64 0 - 8.8-55.2 HB3 SER 9 - HB2 GLN 127 far 0 65 0 - 9.5-53.5 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 2 assignments used, quality = 1.00: * H ASN 59 + HA ASN 59 OK 100 100 100 100 2.7-2.7 2.9=100 H GLY 66 - HA ASN 59 far 0 99 0 - 8.3-8.8 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 4 assignments used, quality = 1.00: * HB2 ASN 59 + HA ASN 59 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 CYS 79 - HA LYS 24 far 0 91 0 - 6.6-21.7 HG2 GLN 134 - HA ASP 47 far 0 24 0 - 8.4-10.0 HB2 ASP 71 - HA LYS 24 far 0 90 0 - 9.7-23.4 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 2 assignments used, quality = 1.00: * HB3 ASN 59 + HA ASN 59 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 ASN 116 - HA ASN 59 far 0 73 0 - 5.6-6.8 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 3 assignments used, quality = 1.00: * H SER 60 + HA ASN 59 OK 100 100 100 100 3.5-3.5 3.6=100 H SER 50 + HA ASP 47 OK 51 51 100 100 3.6-3.9 6590/3.6=70, 3.1/6629=65...(11) H HIS 8 - HA LYS 24 far 0 90 0 - 9.7-41.7 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 3 assignments used, quality = 1.00: * H LEU 62 + HA ASN 59 OK 100 100 100 100 3.3-3.7 6780=100, 2005/9388=66...(15) H GLN 61 + HA ASN 59 OK 92 95 100 98 4.2-4.5 3.9/6780=58, 6750/3.6=57...(11) HE22 GLN 104 - HA ASN 59 far 0 99 0 - 7.3-10.0 Violated in 0 structures by 0.00 A. Peak 1880 from cnoeabs.peaks (2.06, 4.33, 56.25 ppm; 4.30 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 62 + HA ASN 59 OK 100 100 100 100 3.1-4.2 3.2/9388=69...(24) HB2 GLN 127 - HA ASP 47 far 0 53 0 - 5.4-7.5 HB VAL 118 - HA ASN 59 far 0 100 0 - 6.2-7.7 HB3 GLN 27 - HA LYS 24 far 0 93 0 - 6.9-13.5 HG3 PRO 58 - HA ASN 59 far 0 92 0 - 7.0-7.1 HB3 GLU 44 - HA ASP 47 far 0 36 0 - 7.9-8.2 HG3 GLN 134 - HA ASP 47 far 0 31 0 - 8.6-10.2 HG3 PRO 113 - HA ASN 59 far 0 100 0 - 9.3-11.7 HB2 GLU 128 - HA ASP 47 far 0 32 0 - 9.8-10.7 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 5 assignments used, quality = 1.00: * HB3 LEU 62 + HA ASN 59 OK 100 100 100 100 2.5-4.9 1980=100, 1.8/1880=100...(24) QG2 THR 115 + HA ASN 59 OK 63 97 100 65 5.4-6.6 10196/9359=34...(3) HG12 ILE 32 - HA LYS 24 far 4 77 5 - 7.3-14.3 QG2 THR 18 - HA LYS 24 far 0 57 0 - 8.0-11.8 QG2 VAL 132 - HA ASP 47 far 0 51 0 - 9.7-10.6 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 3.4-3.6 4.0=100 H GLY 66 - HB2 ASN 59 far 0 99 0 - 9.3-9.9 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 2.3-2.6 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 far 0 73 0 - 4.6-5.8 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 2.1-2.3 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 3.4-3.5 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 3.5-4.1 4.5=100 H HIS 7 - HB2 ASN 59 far 0 63 0 - 9.5-58.2 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 1 assignment used, quality = 1.00: * H ASN 59 + HB3 ASN 59 OK 100 100 100 100 2.1-2.6 4.0=100 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 2.5-3.0 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 2.8-3.5 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 1 assignment used, quality = 1.00: * HD22 ASN 59 + HB3 ASN 59 OK 100 100 100 100 3.7-4.1 3.5=100 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 2.6-3.8 4.5=100 H HIS 7 - HB3 ASN 59 far 0 63 0 - 9.8-59.5 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 3 assignments used, quality = 1.00: * H SER 60 + HA SER 60 OK 100 100 100 100 2.8-2.8 2.8=100 H HIS 67 - HA SER 60 far 0 97 0 - 8.3-8.8 H HIS 7 - HA SER 60 far 0 63 0 - 8.7-57.3 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 4 assignments used, quality = 1.00: HB3 SER 60 + HA SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 * HB2 SER 60 + HA SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 107 - HA SER 60 lone 1 93 45 1 2.6-6.7 HA2 GLY 111 - HA SER 60 far 0 76 0 - 7.3-8.9 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 4 assignments used, quality = 1.00: * HB3 SER 60 + HA SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 60 + HA SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 107 - HA SER 60 lone 1 93 45 1 2.6-6.7 HA2 GLY 111 - HA SER 60 far 0 76 0 - 7.3-8.9 Violated in 0 structures by 0.00 A. Peak 1900 from cnoeabs.peaks (7.42, 4.01, 60.84 ppm; 4.61 A): 2 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 76 95 100 80 4.2-4.8 4.2/6801=50, 6746/2.8=36...(9) HE22 GLN 104 - HA SER 60 far 0 99 0 - 5.2-7.2 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 3.3-3.6 6801=100, 6812/2020=76...(10) 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 2 assignments used, quality = 1.00: * HB VAL 63 + HA SER 60 OK 100 100 100 100 2.8-3.3 2020=100, 2.1/10978=62...(11) HG2 PRO 58 - HA SER 60 far 0 100 0 - 5.6-5.9 Violated in 0 structures by 0.00 A. Peak 1903 from cnoeabs.peaks (8.66, 3.91, 61.50 ppm; 4.97 A): 2 out of 5 assignments used, quality = 1.00: * H SER 60 + HB2 SER 60 OK 100 100 100 100 2.2-3.6 4.0=100 H SER 60 + HB3 SER 60 OK 100 100 100 100 2.2-3.6 4.0=100 H HIS 7 - HB3 SER 60 far 0 63 0 - 8.7-58.2 H HIS 67 - HB3 SER 60 far 0 97 0 - 9.4-11.1 H HIS 67 - HB2 SER 60 far 0 97 0 - 9.5-11.0 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 4 assignments used, quality = 1.00: HA SER 60 + HB3 SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 * HA SER 60 + HB2 SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 103 - HB2 SER 60 far 0 99 0 - 8.5-10.5 HA LEU 103 - HB3 SER 60 far 0 99 0 - 8.5-10.6 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 2.5-4.0 4.6=100 H GLN 61 + HB3 SER 60 OK 100 100 100 100 2.5-4.1 4.6=100 H LEU 62 + HB2 SER 60 OK 72 95 100 76 4.9-6.1 6746/4.0=46, 1900/3.0=42...(5) H LEU 62 + HB3 SER 60 OK 72 95 100 76 4.9-6.3 6746/4.0=46, 1900/3.0=42...(5) HE22 GLN 104 - HB3 SER 60 poor 17 99 45 38 6.1-10.1 10077/10977=36 HE22 GLN 104 - HB2 SER 60 poor 9 99 25 38 5.9-9.6 10077/10977=36 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 5 assignments used, quality = 1.00: H SER 60 + HB2 SER 60 OK 100 100 100 100 2.2-3.6 4.0=100 * H SER 60 + HB3 SER 60 OK 100 100 100 100 2.2-3.6 4.0=100 H HIS 7 - HB3 SER 60 far 0 63 0 - 8.7-58.2 H HIS 67 - HB3 SER 60 far 0 97 0 - 9.4-11.1 H HIS 67 - HB2 SER 60 far 0 97 0 - 9.5-11.0 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 4 assignments used, quality = 1.00: * HA SER 60 + HB3 SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 60 + HB2 SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 103 - HB2 SER 60 far 0 99 0 - 8.5-10.5 HA LEU 103 - HB3 SER 60 far 0 99 0 - 8.5-10.6 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 2.5-4.0 4.6=100 * H GLN 61 + HB3 SER 60 OK 100 100 100 100 2.5-4.1 4.6=100 H LEU 62 + HB2 SER 60 OK 72 95 100 76 4.9-6.1 6746/4.0=46, 1900/3.0=42...(5) H LEU 62 + HB3 SER 60 OK 72 95 100 76 4.9-6.3 6746/4.0=46, 1900/3.0=42...(5) HE22 GLN 104 - HB3 SER 60 poor 17 99 45 38 6.1-10.1 10077/10977=36 HE22 GLN 104 - HB2 SER 60 poor 9 99 25 38 5.9-9.6 10077/10977=36 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 2.8-2.8 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 - 8.4-11.2 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): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 61 + HA GLN 61 OK 100 100 100 100 2.3-2.4 3.0=100 HB3 GLN 61 + HA GLN 61 OK 100 100 100 100 2.9-3.0 3.0=100 HG3 PRO 58 - HA GLN 61 far 0 68 0 - 5.1-5.6 HB VAL 57 - HA GLN 61 far 0 99 0 - 5.3-5.7 Violated in 0 structures by 0.00 A. Peak 1916 from cnoeabs.peaks (2.10, 4.28, 57.87 ppm; 3.73 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 61 + HA GLN 61 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 GLN 61 + HA GLN 61 OK 100 100 100 100 2.3-2.4 3.0=100 HG3 PRO 58 - HA GLN 61 far 0 60 0 - 5.1-5.6 HB VAL 57 - HA GLN 61 far 0 97 0 - 5.3-5.7 Violated in 0 structures by 0.00 A. Peak 1917 from cnoeabs.peaks (2.28, 4.28, 57.87 ppm; 4.17 A increased from 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 61 + HA GLN 61 OK 100 100 100 100 2.9-4.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 1918 from cnoeabs.peaks (2.41, 4.28, 57.87 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 61 + HA GLN 61 OK 100 100 100 100 2.7-3.8 3.8=100 HB3 PRO 58 - HA GLN 61 far 0 100 0 - 6.4-6.8 HG3 GLU 55 - HA GLN 61 far 0 89 0 - 9.6-13.6 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 2.8-2.8 2.8=100 HE22 GLN 104 - HA GLN 61 far 0 99 0 - 8.4-11.2 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 2 assignments used, quality = 1.00: * H ASP 64 + HA GLN 61 OK 100 100 100 100 3.5-3.7 6819=100, 2048/2047=91...(10) H VAL 112 - HA GLN 61 far 0 73 0 - 9.3-11.2 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 1 assignment used, quality = 1.00: * HB2 ASP 64 + HA GLN 61 OK 100 100 100 100 3.3-4.3 2047=100, 1.8/2053=91...(5) 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 1 assignment used, quality = 1.00: * HB3 ASP 64 + HA GLN 61 OK 100 100 100 100 2.9-3.8 2053=100, 1.8/2047=79...(5) Violated in 0 structures by 0.00 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 2.7-3.1 4.0=100 H GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.1-2.4 4.0=100 H LEU 62 + HB2 GLN 61 OK 95 95 100 100 3.8-4.1 4.6=100 H LEU 62 + HB3 GLN 61 OK 94 94 100 100 2.4-2.9 4.6=100 HE22 GLN 104 - HB2 GLU 102 far 4 71 5 - 5.6-10.3 QE PHE 89 - HB2 GLU 128 far 0 45 0 - 8.1-9.3 QE PHE 89 - HB3 GLN 82 far 0 66 0 - 9.0-11.8 HE22 GLN 104 - HB3 GLN 61 far 0 98 0 - 9.7-11.9 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 9 assignments used, quality = 1.00: * HA GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.3-2.4 3.0=100 HA GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.9-3.0 3.0=100 HA ALA 15 - HB3 GLN 82 far 0 86 0 - 5.7-47.0 HA ALA 110 - HB3 GLN 61 far 0 100 0 - 6.4-9.1 HA ALA 110 - HB2 GLN 61 far 0 100 0 - 7.1-9.3 HA ASP 131 - HB2 GLU 128 far 0 34 0 - 7.8-8.3 HA ALA 12 - HB3 GLN 82 far 0 86 0 - 7.8-46.0 HA ALA 16 - HB3 GLN 82 far 0 86 0 - 9.9-45.8 HA ALA 109 - HB3 GLN 61 far 0 99 0 - 9.9-12.3 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 7 assignments used, quality = 1.00: * HG2 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.2-2.6 3.0=100 HG2 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 101 - HB2 GLU 102 far 0 55 0 - 4.9-6.6 HB2 PRO 81 - HB3 GLN 82 far 0 53 0 - 5.2-6.0 HB VAL 105 - HB2 GLU 102 far 0 60 0 - 6.2-7.4 HB VAL 132 - HB2 GLU 128 far 0 63 0 - 7.1-8.2 HB VAL 132 - HB3 GLN 82 far 0 87 0 - 7.7-10.4 Violated in 0 structures by 0.00 A. Peak 1930 from cnoeabs.peaks (2.41, 2.10, 28.56 ppm; 4.00 A): 5 out of 10 assignments used, quality = 1.00: * HG3 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.7-3.0 3.0=100 HG3 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HG3 GLU 128 + HB2 GLU 128 OK 60 60 100 100 2.3-3.0 3.0=100 HG2 GLN 82 + HB3 GLN 82 OK 51 51 100 100 2.6-3.0 2.9=100 HG2 GLN 101 + HB2 GLU 102 OK 37 68 80 68 3.2-6.2 7450/3.8=43...(8) HB3 PRO 58 - HB3 GLN 61 far 0 100 0 - 4.6-5.0 HB3 PRO 58 - HB2 GLN 61 far 0 100 0 - 4.9-5.7 HG3 GLU 55 - HB3 GLN 61 far 0 88 0 - 7.4-11.1 HG3 GLU 55 - HB2 GLN 61 far 0 89 0 - 8.1-12.2 HG3 GLU 97 - HB2 GLU 102 far 0 71 0 - 9.1-11.0 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 5 assignments used, quality = 1.00: * HE22 GLN 61 + HB2 GLN 61 OK 100 100 100 100 3.4-5.2 4.4=100 HE22 GLN 61 + HB3 GLN 61 OK 100 100 100 100 1.8-5.4 4.4=100 H GLN 82 + HB3 GLN 82 OK 86 86 100 100 2.1-3.4 4.0=100 H LEU 119 - HB2 GLU 102 far 0 59 0 - 6.6-10.0 H THR 54 - HB3 GLN 61 far 0 97 0 - 9.4-10.8 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 3.8-4.1 4.6=100 H LEU 62 + HB3 GLN 61 OK 100 100 100 100 2.4-2.9 4.6=100 H GLN 61 + HB2 GLN 61 OK 95 95 100 100 2.7-3.1 4.0=100 H GLN 61 + HB3 GLN 61 OK 94 94 100 100 2.1-2.4 4.0=100 HE22 GLN 104 - HB2 GLU 102 far 4 71 5 - 5.6-10.3 HE22 GLN 104 - HB3 GLN 61 far 0 99 0 - 9.7-11.9 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 2.1-2.4 4.0=100 H GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.7-3.1 4.0=100 H LEU 62 + HB3 GLN 61 OK 95 95 100 100 2.4-2.9 4.6=100 H LEU 62 + HB2 GLN 61 OK 94 94 100 100 3.8-4.1 4.6=100 HE22 GLN 104 - HB2 GLU 102 far 0 59 0 - 5.6-10.3 QE PHE 89 - HB3 GLN 82 far 0 61 0 - 9.0-11.8 HE22 GLN 104 - HB3 GLN 61 far 0 99 0 - 9.7-11.9 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 8 assignments used, quality = 1.00: * HA GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.9-3.0 3.0=100 HA GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.3-2.4 3.0=100 HA ALA 15 - HB3 GLN 82 far 0 81 0 - 5.7-47.0 HA ALA 110 - HB3 GLN 61 far 0 100 0 - 6.4-9.1 HA ALA 110 - HB2 GLN 61 far 0 100 0 - 7.1-9.3 HA ALA 12 - HB3 GLN 82 far 0 81 0 - 7.8-46.0 HA ALA 16 - HB3 GLN 82 far 0 81 0 - 9.9-45.8 HA ALA 109 - HB3 GLN 61 far 0 100 0 - 9.9-12.3 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 6 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 2.2-2.6 3.0=100 HB3 GLN 101 - HB2 GLU 102 far 0 46 0 - 4.9-6.6 HB2 PRO 81 - HB3 GLN 82 far 0 49 0 - 5.2-6.0 HB VAL 105 - HB2 GLU 102 far 0 50 0 - 6.2-7.4 HB VAL 132 - HB3 GLN 82 far 0 82 0 - 7.7-10.4 Violated in 0 structures by 0.00 A. Peak 1939 from cnoeabs.peaks (2.41, 2.10, 28.56 ppm; 4.06 A): 4 out of 9 assignments used, quality = 1.00: * HG3 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HG3 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.7-3.0 3.0=100 HG2 GLN 82 + HB3 GLN 82 OK 47 47 100 100 2.6-3.0 2.9=100 HG2 GLN 101 + HB2 GLU 102 OK 30 57 80 67 3.2-6.2 7450/3.8=45...(7) HB3 PRO 58 - HB3 GLN 61 poor 20 100 20 - 4.6-5.0 HB3 PRO 58 - HB2 GLN 61 far 0 100 0 - 4.9-5.7 HG3 GLU 55 - HB3 GLN 61 far 0 89 0 - 7.4-11.1 HG3 GLU 55 - HB2 GLN 61 far 0 88 0 - 8.1-12.2 HG3 GLU 97 - HB2 GLU 102 far 0 59 0 - 9.1-11.0 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 5 assignments used, quality = 1.00: * HE22 GLN 61 + HB3 GLN 61 OK 100 100 100 100 1.8-5.4 4.4=100 HE22 GLN 61 + HB2 GLN 61 OK 100 100 100 100 3.4-5.2 4.4=100 H GLN 82 + HB3 GLN 82 OK 81 81 100 100 2.1-3.4 4.0=100 H LEU 119 - HB2 GLU 102 far 0 48 0 - 6.6-10.0 H THR 54 - HB3 GLN 61 far 0 97 0 - 9.4-10.8 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 2.4-2.9 4.6=100 H LEU 62 + HB2 GLN 61 OK 100 100 100 100 3.8-4.1 4.6=100 H GLN 61 + HB3 GLN 61 OK 95 95 100 100 2.1-2.4 4.0=100 H GLN 61 + HB2 GLN 61 OK 94 94 100 100 2.7-3.1 4.0=100 HE22 GLN 104 - HB2 GLU 102 far 0 60 0 - 5.6-10.3 HE22 GLN 104 - HB3 GLN 61 far 0 99 0 - 9.7-11.9 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 4.4-4.7 4.5=100 H LEU 62 + HG2 GLN 61 OK 88 95 100 93 3.6-4.8 6787=61, 1952/1.8=41...(8) Violated in 0 structures by 0.00 A. Peak 1944 from cnoeabs.peaks (4.28, 2.28, 33.67 ppm; 4.09 A increased from 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.9-4.0 3.8=100 HA ALA 110 - HG2 GLN 61 far 0 100 0 - 8.7-11.2 Violated in 0 structures by 0.00 A. Peak 1945 from cnoeabs.peaks (2.10, 2.28, 33.67 ppm; 3.44 A): 3 out of 4 assignments used, quality = 1.00: * HB2 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.2-2.6 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 93 99 95 99 2.5-4.1 2.1/9377=57...(25) HG3 PRO 58 - HG2 GLN 61 far 0 68 0 - 4.8-6.3 Violated in 0 structures by 0.00 A. Peak 1946 from cnoeabs.peaks (2.10, 2.28, 33.67 ppm; 3.44 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 2.2-2.6 3.0=100 HB VAL 57 + HG2 GLN 61 OK 91 97 95 99 2.5-4.1 2.1/9377=57...(25) HG3 PRO 58 - HG2 GLN 61 far 0 60 0 - 4.8-6.3 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 - 6.3-7.6 HG3 GLU 55 - HG2 GLN 61 far 0 89 0 - 6.4-9.8 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 2 assignments used, quality = 1.00: * HE21 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.1-4.1 3.5=100 HE21 GLN 68 - HG2 GLN 61 far 0 78 0 - 9.3-11.9 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 2 assignments used, quality = 1.00: * HE22 GLN 61 + HG2 GLN 61 OK 100 100 100 100 3.4-3.6 3.5=100 H THR 54 - HG2 GLN 61 far 0 97 0 - 8.4-9.7 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 96 100 100 96 3.6-4.8 6787=66, 1960/1.8=44...(8) H GLN 61 + HG2 GLN 61 OK 95 95 100 100 4.4-4.7 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 6 assignments used, quality = 1.00: * H GLN 61 + HG3 GLN 61 OK 99 100 100 99 3.9-4.4 4.5=94, 2.8/1953=83...(6) H LEU 62 + HG3 GLN 61 OK 93 95 100 98 2.7-3.9 3.6/1953=71, 6787/1.8=50...(11) HE22 GLN 104 - HG2 GLN 101 far 0 85 0 - 5.5-9.0 H LEU 62 - HG3 GLU 55 far 0 59 0 - 8.7-12.2 H GLN 61 - HG3 GLU 55 far 0 67 0 - 9.7-13.3 HE22 GLN 104 - HG3 GLN 61 far 0 99 0 - 9.9-12.6 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 5 assignments used, quality = 0.94: * HA GLN 61 + HG3 GLN 61 OK 94 100 100 94 2.7-3.8 3.8=91, 2.8/1952=24, 3.6/1960=20 HA ALA 15 - HG2 GLN 101 far 0 86 0 - 7.7-43.3 HA ALA 16 - HG2 GLN 101 far 0 86 0 - 8.8-44.8 HA ALA 110 - HG3 GLN 61 far 0 100 0 - 8.8-11.5 HA GLN 61 - HG3 GLU 55 far 0 67 0 - 9.6-13.6 Violated in 1 structures by 0.00 A. Peak 1954 from cnoeabs.peaks (2.10, 2.41, 33.67 ppm; 3.29 A): 4 out of 9 assignments used, quality = 1.00: * HB2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HB VAL 57 + HG3 GLN 61 OK 83 99 85 99 2.5-4.4 2.1/10937=50...(24) HB2 GLU 102 + HG2 GLN 101 OK 23 73 55 56 3.2-6.2 7455/7450=28, 4093=10...(8) HB VAL 57 - HG3 GLU 55 far 0 64 0 - 5.2-8.7 HG3 PRO 58 - HG3 GLN 61 far 0 68 0 - 5.6-6.1 HB3 GLN 61 - HG3 GLU 55 far 0 67 0 - 7.4-11.1 HB2 GLN 61 - HG3 GLU 55 far 0 67 0 - 8.1-12.2 HG3 PRO 58 - HG3 GLU 55 far 0 39 0 - 9.1-12.8 Violated in 0 structures by 0.00 A. Peak 1955 from cnoeabs.peaks (2.10, 2.41, 33.67 ppm; 3.29 A): 4 out of 9 assignments used, quality = 1.00: * HB3 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HB2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.7-3.0 3.0=100 HB VAL 57 + HG3 GLN 61 OK 82 97 85 99 2.5-4.4 2.1/10937=50...(24) HB2 GLU 102 + HG2 GLN 101 OK 21 68 55 55 3.2-6.2 3.8/7450=28, 4093=9...(8) HB VAL 57 - HG3 GLU 55 far 0 61 0 - 5.2-8.7 HG3 PRO 58 - HG3 GLN 61 far 0 60 0 - 5.6-6.1 HB3 GLN 61 - HG3 GLU 55 far 0 67 0 - 7.4-11.1 HB2 GLN 61 - HG3 GLU 55 far 0 67 0 - 8.1-12.2 HG3 PRO 58 - HG3 GLU 55 far 0 33 0 - 9.1-12.8 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 5 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 58 68 100 86 2.2-3.0 2.9=62, 3.0/3277=22...(8) HB VAL 105 - HG2 GLN 101 far 0 73 0 - 6.2-8.8 HG2 GLU 97 - HG2 GLN 101 far 0 82 0 - 6.3-10.6 HG2 GLN 61 - HG3 GLU 55 far 0 67 0 - 6.4-9.8 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 4 assignments used, quality = 1.00: * HE21 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.7-3.8 3.5=100 HE21 GLN 61 - HG3 GLU 55 far 0 67 0 - 5.7-9.8 HE21 GLN 68 - HG3 GLN 61 far 0 78 0 - 7.9-11.2 HD21 ASN 121 - HG2 GLN 101 far 0 87 0 - 9.5-11.2 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 4 assignments used, quality = 1.00: * HE22 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.9-3.9 3.5=100 H THR 54 + HG3 GLU 55 OK 46 62 85 87 3.4-6.2 11227/1.8=44...(7) HE22 GLN 61 - HG3 GLU 55 far 0 67 0 - 5.9-11.4 H THR 54 - HG3 GLN 61 far 0 97 0 - 8.3-9.7 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 6 assignments used, quality = 1.00: * H LEU 62 + HG3 GLN 61 OK 99 100 100 99 2.7-3.9 3.6/1953=70, 6787/1.8=52...(11) H GLN 61 + HG3 GLN 61 OK 94 95 100 99 3.9-4.4 4.5=90, 2.8/1953=82...(6) HE22 GLN 104 - HG2 GLN 101 far 0 85 0 - 5.5-9.0 H LEU 62 - HG3 GLU 55 far 0 67 0 - 8.7-12.2 H GLN 61 - HG3 GLU 55 far 0 59 0 - 9.7-13.3 HE22 GLN 104 - HG3 GLN 61 far 0 99 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 1961 from cnoeabs.peaks (7.43, 3.85, 57.95 ppm; 4.34 A): 1 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 far 0 95 0 - 5.3-5.5 HE22 GLN 104 - HA LEU 62 far 0 99 0 - 8.0-10.5 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 4 assignments used, quality = 1.00: * HB2 LEU 62 + HA LEU 62 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 PRO 58 - HA LEU 62 far 0 92 0 - 8.2-8.5 HB3 GLU 55 - HA LEU 62 far 0 92 0 - 8.6-11.2 HB VAL 118 - HA LEU 62 far 0 100 0 - 8.9-10.1 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 2 assignments used, quality = 1.00: * HB3 LEU 62 + HA LEU 62 OK 100 100 100 100 2.5-3.0 3.0=100 QG2 THR 115 - HA LEU 62 far 0 97 0 - 9.7-10.9 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 4 assignments used, quality = 1.00: * HG LEU 62 + HA LEU 62 OK 100 100 100 100 2.9-3.2 3.7=100 HG LEU 119 - HA LEU 62 far 0 68 0 - 7.5-8.2 HB2 LEU 123 - HA LEU 62 far 0 100 0 - 8.5-10.2 HB2 LEU 69 - HA LEU 62 far 0 81 0 - 9.8-10.7 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 = 1.00: * QD2 LEU 62 + HA LEU 62 OK 100 100 100 100 1.9-2.1 1998=100, 2.1/1967=60...(15) QD2 LEU 100 - HA LEU 62 far 0 100 0 - 4.8-5.6 Violated in 0 structures by 0.00 A. Peak 1967 from cnoeabs.peaks (0.91, 3.85, 57.95 ppm; 3.86 A increased from 3.63 A): 1 out of 9 assignments used, quality = 1.00: * QD1 LEU 62 + HA LEU 62 OK 100 100 100 100 3.7-3.9 2.1/1998=84, 4.1=83...(11) QG2 VAL 63 - HA LEU 62 far 0 100 0 - 4.8-5.0 QD1 LEU 49 - HA LEU 62 far 0 100 0 - 5.3-5.8 QD2 LEU 48 - HA LEU 62 far 0 100 0 - 6.2-7.9 QD1 LEU 48 - HA LEU 62 far 0 97 0 - 6.7-7.3 QG1 VAL 118 - HA LEU 62 far 0 93 0 - 6.8-7.9 QD1 LEU 123 - HA LEU 62 far 0 93 0 - 7.7-8.8 QD1 LEU 119 - HA LEU 62 far 0 63 0 - 7.8-8.2 QD2 LEU 123 - HA LEU 62 far 0 60 0 - 7.8-8.5 Violated in 3 structures by 0.00 A. Peak 1968 from cnoeabs.peaks (8.20, 3.85, 57.95 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 63 + HA LEU 62 OK 100 100 100 100 3.4-3.5 3.6=100 H LEU 122 - HA LEU 62 far 0 87 0 - 8.4-9.5 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 1 assignment used, quality = 1.00: * H THR 65 + HA LEU 62 OK 100 100 100 100 3.6-3.8 6834=100, 6835/3.6=87...(11) 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 = 1.00: * HB THR 65 + HA LEU 62 OK 100 100 100 100 3.0-3.4 2067=74, 2.1/10993=71...(9) HA GLN 104 - HA LEU 62 far 0 76 0 - 8.6-9.5 HA LEU 122 - HA LEU 62 far 0 90 0 - 8.8-10.2 Violated in 0 structures by 0.00 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 3.1-4.2 1880=100, 9388/3.2=100...(24) 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 2.3-3.5 3.9=100 H GLN 61 + HB2 LEU 62 OK 61 95 75 86 4.8-6.2 10983/3.0=39...(8) HE22 GLN 104 - HB2 LEU 62 far 0 99 0 - 6.4-9.2 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 3 assignments used, quality = 1.00: * HA LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.6-3.0 3.0=100 HA LEU 123 - HB2 LEU 62 far 0 100 0 - 7.3-9.3 HD3 PRO 58 - HB2 LEU 62 far 0 68 0 - 8.1-9.3 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 2 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 - 7.6-8.6 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 3 assignments used, quality = 1.00: * HG LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 119 + HB2 LEU 62 OK 54 68 80 99 4.9-5.7 2.9/10951=55, ~10992=44...(17) HB2 LEU 123 - HB2 LEU 62 far 0 100 0 - 7.1-9.8 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 60 100 95 63 4.5-5.3 1986/1.8=28...(6) Violated in 0 structures by 0.00 A. Peak 1978 from cnoeabs.peaks (0.91, 2.06, 42.10 ppm; 4.01 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.2-2.4 3.2=100 QG2 VAL 63 + HB2 LEU 62 OK 94 100 100 94 3.1-4.1 11012/1.8=64...(13) QG1 VAL 118 - HB2 LEU 62 far 0 93 0 - 4.9-6.2 QD1 LEU 119 - HB2 LEU 62 far 0 63 0 - 5.7-6.3 QD1 LEU 49 - HB2 LEU 62 far 0 100 0 - 6.3-7.7 QD2 LEU 123 - HB2 LEU 62 far 0 60 0 - 7.5-8.7 QD1 LEU 123 - HB2 LEU 62 far 0 93 0 - 8.1-9.4 QG2 VAL 112 - HB2 LEU 62 far 0 97 0 - 8.5-10.0 QD2 LEU 48 - HB2 LEU 62 far 0 100 0 - 8.7-10.3 QD1 LEU 48 - HB2 LEU 62 far 0 97 0 - 8.7-9.9 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 2.8-3.7 4.5=100 H LEU 122 - HB2 LEU 62 far 0 87 0 - 6.4-8.5 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 2.5-4.9 1880/1.8=100...(24) 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 2.5-3.0 3.0=100 HA LEU 123 - HB3 LEU 62 far 0 100 0 - 6.9-9.8 HD3 PRO 58 - HB3 LEU 62 far 0 68 0 - 7.7-9.6 HB2 SER 50 - HB3 LEU 62 far 0 99 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 1983 from cnoeabs.peaks (2.06, 1.14, 42.10 ppm; 4.15 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 62 + HB3 LEU 62 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 118 - HB3 LEU 62 far 0 100 0 - 6.4-7.6 HG3 PRO 58 - HB3 LEU 62 far 0 92 0 - 7.8-9.7 HB3 GLU 55 - HB3 LEU 62 far 0 92 0 - 9.3-12.1 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 4 assignments used, quality = 1.00: * HG LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 119 + HB3 LEU 62 OK 24 68 35 99 4.9-6.0 ~10992=45, ~10951=43...(17) HB2 LEU 123 - HB3 LEU 62 far 0 100 0 - 7.0-10.2 HB2 LEU 69 - HB3 LEU 62 far 0 81 0 - 10.0-12.5 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 2.3-3.2 3.1=100 QD2 LEU 100 + HB3 LEU 62 OK 49 100 75 65 4.1-5.6 1977/1.8=27...(4) Violated in 0 structures by 0.00 A. Peak 1987 from cnoeabs.peaks (0.91, 1.14, 42.10 ppm; 3.90 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.2-2.4 3.2=100 QG2 VAL 63 + HB3 LEU 62 OK 95 100 100 95 3.4-4.3 11012=68, 6810/4.5=42...(9) QG1 VAL 118 - HB3 LEU 62 far 0 93 0 - 4.7-6.1 QD1 LEU 119 - HB3 LEU 62 far 0 63 0 - 5.6-6.6 QD1 LEU 49 - HB3 LEU 62 far 0 100 0 - 5.9-7.7 QD2 LEU 123 - HB3 LEU 62 far 0 60 0 - 6.7-8.8 QD1 LEU 123 - HB3 LEU 62 far 0 93 0 - 7.1-9.7 QD2 LEU 48 - HB3 LEU 62 far 0 100 0 - 7.9-10.2 QG2 VAL 112 - HB3 LEU 62 far 0 97 0 - 8.0-10.6 QD1 LEU 48 - HB3 LEU 62 far 0 97 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 1989 from cnoeabs.peaks (7.43, 1.65, 26.14 ppm; 4.89 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 62 + HG LEU 62 OK 100 100 100 100 2.3-2.9 4.8=100 H GLN 61 + HG LEU 62 OK 93 95 100 98 4.7-5.1 3.9/6794=74, 10983=43...(9) HE22 GLN 104 - HG LEU 62 far 0 99 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 1990 from cnoeabs.peaks (3.85, 1.65, 26.14 ppm; 5.21 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 62 + HG LEU 62 OK 100 100 100 100 2.9-3.2 3.7=100 HD3 PRO 58 - HG LEU 62 far 0 68 0 - 6.4-6.9 HA LEU 123 - HG LEU 62 far 0 100 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 1991 from cnoeabs.peaks (2.06, 1.65, 26.14 ppm; 4.53 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 62 + HG LEU 62 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 PRO 58 - HG LEU 62 far 0 92 0 - 7.0-7.4 HB3 GLU 55 - HG LEU 62 far 0 92 0 - 7.4-9.9 HB VAL 118 - HG LEU 62 far 0 100 0 - 7.7-9.2 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 2 assignments used, quality = 1.00: * HB3 LEU 62 + HG LEU 62 OK 100 100 100 100 2.4-3.0 3.0=100 QG2 THR 115 - HG LEU 62 far 0 97 0 - 7.6-8.6 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): 1 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 far 0 100 0 - 6.4-7.3 Violated in 0 structures by 0.00 A. Peak 1995 from cnoeabs.peaks (0.91, 1.65, 26.14 ppm; 3.35 A): 1 out of 10 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 far 0 100 0 - 5.1-5.7 QD1 LEU 119 - HG LEU 62 far 0 63 0 - 5.5-6.3 QG1 VAL 118 - HG LEU 62 far 0 93 0 - 6.5-7.8 QD2 LEU 123 - HG LEU 62 far 0 60 0 - 7.4-8.0 QD1 LEU 49 - HG LEU 62 far 0 100 0 - 7.5-7.9 QD2 LEU 48 - HG LEU 62 far 0 100 0 - 7.7-9.6 QG2 VAL 112 - HG LEU 62 far 0 97 0 - 8.0-9.0 QD1 LEU 123 - HG LEU 62 far 0 93 0 - 8.2-9.0 QD1 LEU 48 - HG LEU 62 far 0 97 0 - 8.8-9.5 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 3.1-3.6 6795=95, 6794/2.1=77...(13) HE22 GLN 104 - QD2 LEU 100 poor 19 65 30 - 2.4-5.1 H GLN 61 - QD2 LEU 62 far 0 95 0 - 5.4-5.8 H LEU 62 - QD2 LEU 100 far 0 66 0 - 5.8-6.5 H GLN 61 - QD2 LEU 100 far 0 58 0 - 7.3-8.1 HE22 GLN 104 - QD2 LEU 62 far 0 99 0 - 8.2-10.1 Violated in 0 structures by 0.00 A. Peak 1998 from cnoeabs.peaks (3.85, 0.68, 23.19 ppm; 3.22 A): 1 out of 7 assignments used, quality = 0.99: * HA LEU 62 + QD2 LEU 62 OK 99 100 100 99 1.9-2.1 1966=75, 1967/2.1=49...(14) HA LEU 62 - QD2 LEU 100 far 0 66 0 - 4.8-5.6 HA LEU 123 - QD2 LEU 62 far 0 100 0 - 5.3-6.1 HD3 PRO 58 - QD2 LEU 62 far 0 68 0 - 6.5-7.0 HA LEU 123 - QD2 LEU 100 far 0 66 0 - 6.9-8.7 HB2 SER 50 - QD2 LEU 62 far 0 99 0 - 7.0-7.7 HB2 SER 50 - QD2 LEU 100 far 0 63 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 1999 from cnoeabs.peaks (2.06, 0.68, 23.19 ppm; 3.42 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.4-3.2 3.1=100 HB2 LEU 62 - QD2 LEU 100 far 0 66 0 - 4.5-5.3 HB3 GLU 55 - QD2 LEU 62 far 0 92 0 - 5.2-7.6 HB VAL 118 - QD2 LEU 100 far 0 66 0 - 6.1-7.2 HB2 GLU 102 - QD2 LEU 100 far 0 40 0 - 6.4-8.3 HG3 PRO 58 - QD2 LEU 62 far 0 92 0 - 7.1-7.7 HB VAL 118 - QD2 LEU 62 far 0 100 0 - 7.3-8.5 HB2 GLN 127 - QD2 LEU 62 far 0 100 0 - 9.1-10.5 HG3 PRO 113 - QD2 LEU 62 far 0 100 0 - 9.7-11.8 HG2 PRO 117 - QD2 LEU 100 far 0 66 0 - 9.8-10.8 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 4 assignments used, quality = 1.00: * HB3 LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.3-3.2 3.1=100 HB3 LEU 62 - QD2 LEU 100 far 0 66 0 - 4.1-5.6 QG2 THR 115 - QD2 LEU 62 far 0 97 0 - 7.7-8.4 QG2 THR 115 - QD2 LEU 100 far 0 62 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 2001 from cnoeabs.peaks (1.65, 0.68, 23.19 ppm; 3.16 A): 1 out of 9 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 far 0 100 0 - 5.4-6.8 HG LEU 119 - QD2 LEU 62 far 0 68 0 - 5.5-6.1 HB2 LEU 69 - QD2 LEU 100 far 0 47 0 - 6.0-6.5 HG LEU 62 - QD2 LEU 100 far 0 66 0 - 6.4-7.3 HG LEU 119 - QD2 LEU 100 far 0 38 0 - 6.6-7.9 HB2 LEU 98 - QD2 LEU 100 far 0 66 0 - 7.7-8.5 HB2 LEU 123 - QD2 LEU 100 far 0 66 0 - 8.0-9.8 HB2 LEU 69 - QD2 LEU 62 far 0 81 0 - 8.9-9.4 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): 2 out of 19 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 43 66 75 87 2.6-3.4 2.1/10974=32...(21) QG1 VAL 118 - QD2 LEU 100 far 0 57 0 - 3.8-4.7 QD1 LEU 49 - QD2 LEU 100 far 0 66 0 - 4.5-5.4 QD1 LEU 49 - QD2 LEU 62 far 0 100 0 - 4.7-5.2 QD2 LEU 123 - QD2 LEU 62 far 0 60 0 - 5.1-5.4 QD1 LEU 62 - QD2 LEU 100 far 0 66 0 - 5.1-5.9 QG2 VAL 63 - QD2 LEU 62 far 0 100 0 - 5.2-5.4 QD2 LEU 48 - QD2 LEU 62 far 0 100 0 - 5.3-6.6 QD1 LEU 123 - QD2 LEU 62 far 0 93 0 - 5.4-6.0 QD1 LEU 119 - QD2 LEU 62 far 0 63 0 - 5.7-5.9 QG1 VAL 118 - QD2 LEU 62 far 0 93 0 - 5.8-6.9 QD1 LEU 48 - QD2 LEU 62 far 0 97 0 - 6.1-6.7 QD1 LEU 119 - QD2 LEU 100 far 0 35 0 - 7.2-8.3 QD1 LEU 123 - QD2 LEU 100 far 0 57 0 - 7.5-9.0 QD1 LEU 48 - QD2 LEU 100 far 0 62 0 - 7.6-8.4 QD2 LEU 123 - QD2 LEU 100 far 0 33 0 - 7.9-9.4 QD2 LEU 48 - QD2 LEU 100 far 0 65 0 - 8.3-9.5 QG2 VAL 112 - QD2 LEU 62 far 0 97 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 2004 from cnoeabs.peaks (8.20, 0.68, 23.19 ppm; 4.59 A increased from 4.32 A): 2 out of 6 assignments used, quality = 1.00: * H VAL 63 + QD2 LEU 62 OK 100 100 100 100 4.6-4.8 3.6/1998=78, 6806/3.1=69...(8) H VAL 63 + QD2 LEU 100 OK 66 66 100 100 4.0-4.8 2.9/9386=87...(14) H LEU 122 - QD2 LEU 100 far 0 51 0 - 5.3-6.7 H LEU 122 - QD2 LEU 62 far 0 87 0 - 6.2-7.8 H GLN 127 - QD2 LEU 62 far 0 100 0 - 7.9-8.7 H GLN 127 - QD2 LEU 100 far 0 66 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 2005 from cnoeabs.peaks (7.43, 0.91, 26.02 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 62 + QD1 LEU 62 OK 100 100 100 100 3.5-4.0 6794/2.1=85, 1997/2.1=79...(15) H GLN 61 - QD1 LEU 62 far 0 95 0 - 5.3-5.9 HE22 GLN 104 - QD1 LEU 62 far 0 99 0 - 7.2-9.8 Violated in 0 structures by 0.00 A. Peak 2006 from cnoeabs.peaks (3.85, 0.91, 26.02 ppm; 4.36 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 62 + QD1 LEU 62 OK 100 100 100 100 3.7-3.9 4.1=100 HA LEU 123 - QD1 LEU 62 far 0 100 0 - 5.5-6.7 HD3 PRO 58 - QD1 LEU 62 far 0 68 0 - 6.7-7.4 HB2 SER 50 - QD1 LEU 62 far 0 99 0 - 7.9-8.7 HD2 PRO 117 - QD1 LEU 62 far 0 93 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 2007 from cnoeabs.peaks (2.06, 0.91, 26.02 ppm; 3.67 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.2-2.4 3.2=100 HB VAL 118 - QD1 LEU 62 far 0 100 0 - 4.9-6.2 HB3 GLU 55 - QD1 LEU 62 far 0 92 0 - 6.5-8.8 HG3 PRO 58 - QD1 LEU 62 far 0 92 0 - 7.3-8.0 HG3 PRO 113 - QD1 LEU 62 far 0 100 0 - 7.9-10.0 HG2 PRO 117 - QD1 LEU 62 far 0 100 0 - 8.3-9.4 HB2 GLU 102 - QD1 LEU 62 far 0 71 0 - 8.9-11.2 HG3 PRO 117 - QD1 LEU 62 far 0 99 0 - 9.4-10.3 HB2 GLN 127 - QD1 LEU 62 far 0 100 0 - 9.9-11.2 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 2 assignments used, quality = 1.00: * HB3 LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.2-2.4 3.2=100 QG2 THR 115 - QD1 LEU 62 far 0 97 0 - 5.6-6.3 Violated in 0 structures by 0.00 A. Peak 2009 from cnoeabs.peaks (1.65, 0.91, 26.02 ppm; 3.30 A): 2 out of 3 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 60 68 100 87 2.8-3.6 3.7/10954=29, ~10992=25...(17) HB2 LEU 123 - QD1 LEU 62 far 0 100 0 - 4.7-6.5 Violated in 0 structures by 0.00 A. Peak 2010 from cnoeabs.peaks (0.68, 0.91, 26.02 ppm; 3.02 A): 1 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 far 0 100 0 - 5.1-5.9 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 4.7-5.0 6808/2.1=100...(8) H LEU 122 + QD1 LEU 62 OK 67 87 100 77 5.1-6.5 3762/10954=60, ~11483=17...(6) H GLN 127 - QD1 LEU 62 far 0 100 0 - 8.3-9.5 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 2.8-2.9 2.9=100 H LEU 122 - HA VAL 63 far 0 87 0 - 8.0-8.6 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 2 assignments used, quality = 1.00: * HB VAL 63 + HA VAL 63 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 PRO 58 - HA VAL 63 far 0 100 0 - 8.9-9.2 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 8 assignments used, quality = 1.00: * QG1 VAL 63 + HA VAL 63 OK 100 100 100 100 2.3-2.4 3.2=100 QD1 LEU 122 - HA VAL 63 poor 19 73 65 39 3.1-6.1 11387/9397=14...(13) QD2 LEU 122 - HA VAL 63 far 0 100 0 - 3.9-6.1 QD2 LEU 49 - HA VAL 63 far 0 93 0 - 4.3-4.8 QD1 LEU 103 - HA VAL 63 far 0 100 0 - 4.9-5.5 QD1 LEU 96 - HA VAL 63 far 0 97 0 - 5.5-6.1 QD2 LEU 119 - HA VAL 63 far 0 87 0 - 6.1-7.3 QD1 LEU 53 - HA VAL 63 far 0 97 0 - 6.6-7.9 Violated in 0 structures by 0.00 A. Peak 2017 from cnoeabs.peaks (0.91, 3.37, 66.55 ppm; 3.32 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 63 + HA VAL 63 OK 100 100 100 100 2.3-2.5 3.2=100 QG1 VAL 118 - HA VAL 63 far 0 97 0 - 5.2-6.0 QD1 LEU 62 - HA VAL 63 far 0 100 0 - 5.7-5.8 QD1 LEU 49 - HA VAL 63 far 0 100 0 - 6.0-7.0 QD1 LEU 48 - HA VAL 63 far 0 95 0 - 8.8-9.5 QD2 LEU 48 - HA VAL 63 far 0 100 0 - 9.2-10.8 QD1 LEU 123 - HA VAL 63 far 0 89 0 - 9.7-10.9 QD2 LEU 123 - HA VAL 63 far 0 68 0 - 9.9-11.0 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 1 assignment used, quality = 1.00: * H ASP 64 + HA VAL 63 OK 100 100 100 100 3.6-3.6 3.6=100 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 3.2-3.5 9384/9386=81, 6848=78...(18) H ASN 59 - HA VAL 63 far 0 99 0 - 8.6-9.3 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 9 assignments used, quality = 1.00: * HA SER 60 + HB VAL 63 OK 100 100 100 100 2.8-3.3 1902=100, 10978/2.1=69...(11) HB3 SER 99 - HB3 PRO 117 far 0 43 0 - 6.4-7.9 HA LEU 103 - HB VAL 63 far 0 99 0 - 7.5-8.3 HA LEU 119 - HB3 PRO 117 far 0 35 0 - 7.6-8.0 HA LEU 103 - HB3 PRO 117 far 0 41 0 - 8.7-9.1 HA LEU 119 - HB VAL 63 far 0 90 0 - 8.9-9.5 HB3 SER 124 - HB3 PRO 117 far 0 30 0 - 8.9-9.6 HB2 SER 124 - HB3 PRO 117 far 0 36 0 - 9.3-10.2 HB3 SER 99 - HB VAL 63 far 0 100 0 - 9.5-11.6 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 2 assignments used, quality = 1.00: * H VAL 63 + HB VAL 63 OK 100 100 100 100 2.4-2.6 6812=100, 6810/2.1=76...(8) H LEU 122 - HB3 PRO 117 far 0 33 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 2022 from cnoeabs.peaks (3.37, 2.02, 31.71 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 63 + HB VAL 63 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 HIS 67 - HB VAL 63 far 0 73 0 - 5.6-7.7 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 13 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 0 100 0 - 5.5-6.4 QD1 LEU 122 - HB VAL 63 far 0 73 0 - 5.5-8.4 QD2 LEU 122 - HB VAL 63 far 0 100 0 - 6.3-8.6 QD2 LEU 49 - HB VAL 63 far 0 93 0 - 6.7-7.0 QD1 LEU 103 - HB3 PRO 117 far 0 43 0 - 6.8-7.7 QD2 LEU 122 - HB3 PRO 117 far 0 43 0 - 6.9-8.7 QD2 LEU 119 - HB VAL 63 far 0 87 0 - 7.0-7.9 QD1 LEU 122 - HB3 PRO 117 far 0 26 0 - 7.7-9.9 QD2 LEU 119 - HB3 PRO 117 far 0 33 0 - 7.9-8.3 QD1 LEU 96 - HB VAL 63 far 0 97 0 - 7.9-8.5 QD1 LEU 53 - HB VAL 63 far 0 97 0 - 8.2-9.8 QD1 LEU 53 - HB3 PRO 117 far 0 39 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 2025 from cnoeabs.peaks (0.91, 2.02, 31.71 ppm; 3.51 A): 1 out of 9 assignments used, quality = 1.00: * QG2 VAL 63 + HB VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 118 - HB3 PRO 117 far 0 39 0 - 5.7-5.9 QD1 LEU 62 - HB VAL 63 far 0 100 0 - 6.7-6.9 QG1 VAL 118 - HB VAL 63 far 0 97 0 - 6.8-7.6 QD1 LEU 49 - HB VAL 63 far 0 100 0 - 8.0-8.9 QD1 LEU 62 - HB3 PRO 117 far 0 43 0 - 8.4-9.4 QD2 LEU 123 - HB3 PRO 117 far 0 24 0 - 9.1-9.7 QD1 LEU 48 - HB VAL 63 far 0 95 0 - 9.5-10.2 QD2 LEU 48 - HB VAL 63 far 0 100 0 - 9.8-11.6 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 2 assignments used, quality = 1.00: * H ASP 64 + HB VAL 63 OK 100 100 100 100 2.2-2.3 6824=100, 6826/2.1=80...(16) H SER 124 - HB3 PRO 117 far 0 37 0 - 9.1-9.7 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 3.7-3.8 6813=100, 6814/2.1=80...(9) H LEU 122 - QG1 VAL 63 far 0 87 0 - 8.5-9.0 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 2.3-2.4 3.2=100 HB2 HIS 67 + QG1 VAL 63 OK 24 73 40 80 3.5-5.2 4.0/9406=35, 1.8/9468=29...(10) 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 2 assignments used, quality = 1.00: * HB VAL 63 + QG1 VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 PRO 58 - QG1 VAL 63 far 0 100 0 - 8.1-8.5 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): 1 out of 7 assignments used, quality = 1.00: * QG2 VAL 63 + QG1 VAL 63 OK 100 100 100 100 1.9-2.1 2.1=100 QG1 VAL 118 - QG1 VAL 63 far 0 97 0 - 5.3-5.9 QD1 LEU 62 - QG1 VAL 63 far 0 100 0 - 6.4-6.7 QD1 LEU 49 - QG1 VAL 63 far 0 100 0 - 6.5-7.4 QD1 LEU 48 - QG1 VAL 63 far 0 95 0 - 8.4-9.1 QD2 LEU 48 - QG1 VAL 63 far 0 100 0 - 9.1-10.6 QG2 VAL 112 - QG1 VAL 63 far 0 95 0 - 9.9-10.7 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 1 assignment used, quality = 1.00: * H ASP 64 + QG1 VAL 63 OK 100 100 100 100 2.8-3.4 4.3=100 Violated in 0 structures by 0.00 A. Peak 2033 from cnoeabs.peaks (8.20, 0.91, 22.96 ppm; 3.66 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 63 + QG2 VAL 63 OK 100 100 100 100 1.9-2.5 6814=100, 6812/2.1=70...(17) H GLN 127 - QD1 LEU 49 far 0 58 0 - 5.4-6.1 H VAL 63 - QD1 LEU 49 far 0 58 0 - 7.1-7.8 H LEU 122 - QD1 LEU 49 far 0 45 0 - 7.3-8.2 H LEU 122 - QG2 VAL 63 far 0 87 0 - 7.4-8.1 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 2.3-2.5 3.2=100 HB2 HIS 67 - QG2 VAL 63 far 0 73 0 - 5.9-7.7 HA VAL 63 - QD1 LEU 49 far 0 58 0 - 6.0-7.0 HB2 HIS 67 - QD1 LEU 49 far 0 36 0 - 6.1-7.8 HB3 TYR 72 - QD1 LEU 49 far 0 33 0 - 6.8-8.2 Violated in 0 structures by 0.00 A. Peak 2035 from cnoeabs.peaks (2.02, 0.91, 22.96 ppm; 3.43 A): 1 out of 8 assignments used, quality = 1.00: * HB VAL 63 + QG2 VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 HB ILE 129 - QD1 LEU 49 far 0 43 0 - 5.9-6.5 HG2 PRO 58 - QG2 VAL 63 far 0 100 0 - 6.3-7.0 HB3 LEU 53 - QD1 LEU 49 far 0 30 0 - 6.5-8.6 HB2 GLU 44 - QD1 LEU 49 far 0 58 0 - 7.3-8.0 HB VAL 63 - QD1 LEU 49 far 0 58 0 - 8.0-8.9 HB3 LEU 53 - QG2 VAL 63 far 0 63 0 - 9.4-10.8 HB3 GLU 55 - QD1 LEU 49 far 0 42 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 2036 from cnoeabs.peaks (0.78, 0.91, 22.96 ppm; 2.74 A): 3 out of 18 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 50 100 55 92 2.9-3.7 2.1/11822=24...(35) QD2 LEU 49 + QD1 LEU 49 OK 50 50 100 100 1.9-2.1 2.1=100 QD1 LEU 96 - QD1 LEU 49 poor 16 53 30 - 3.2-3.8 QD1 LEU 122 - QG2 VAL 63 far 0 73 0 - 3.7-6.1 QD1 LEU 122 - QD1 LEU 49 far 0 36 0 - 3.9-5.5 QD1 LEU 53 - QD1 LEU 49 far 0 53 0 - 4.0-4.9 QD2 LEU 122 - QG2 VAL 63 far 0 100 0 - 4.1-6.3 QD2 LEU 119 - QG2 VAL 63 far 0 87 0 - 4.4-5.3 QD2 LEU 122 - QD1 LEU 49 far 0 58 0 - 5.0-6.1 QD2 LEU 49 - QG2 VAL 63 far 0 93 0 - 5.4-5.7 QD1 LEU 53 - QG2 VAL 63 far 0 97 0 - 6.1-7.6 QD1 LEU 96 - QG2 VAL 63 far 0 97 0 - 6.3-6.9 QG1 VAL 63 - QD1 LEU 49 far 0 58 0 - 6.5-7.4 QD2 LEU 43 - QD1 LEU 49 far 0 30 0 - 6.7-7.6 QD2 LEU 119 - QD1 LEU 49 far 0 45 0 - 8.0-8.5 QD1 LEU 103 - QD1 LEU 49 far 0 58 0 - 8.0-8.8 QD1 ILE 37 - QD1 LEU 49 far 0 58 0 - 9.1-9.7 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): 2 out of 5 assignments used, quality = 1.00: * H ASP 64 + QG2 VAL 63 OK 100 100 100 100 3.6-3.8 4.4=100 H SER 51 + QD1 LEU 49 OK 32 34 95 98 5.1-5.6 ~6619=40, ~6620=39...(14) H ASP 64 - QD1 LEU 49 far 0 58 0 - 7.0-7.8 H VAL 112 - QG2 VAL 63 far 0 73 0 - 7.5-9.6 H SER 124 - QD1 LEU 49 far 0 51 0 - 7.7-8.4 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 1 assignment used, quality = 1.00: * H ASP 64 + HA ASP 64 OK 100 100 100 100 2.7-2.7 2.9=100 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 2.3-3.0 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 2.5-3.0 3.0=100 HB3 ASP 71 - HA ASP 64 far 0 96 0 - 8.9-10.1 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 1 assignment used, quality = 1.00: * H THR 65 + HA ASP 64 OK 100 100 100 100 3.5-3.5 3.6=100 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 3.7-4.0 6861=71, 3.8/2046=57...(9) H SER 60 - HA ASP 64 far 0 97 0 - 8.7-9.3 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 2.9-4.5 2102=100, 1.8/2046=83...(9) HA VAL 63 + HA ASP 64 OK 73 73 100 100 4.8-4.9 4.9=79, 3.2/10980=70...(23) 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 2.9-4.5 2110=99, 1.8/2102=74...(8) Violated in 2 structures by 0.01 A. Peak 2047 from cnoeabs.peaks (4.28, 2.75, 39.83 ppm; 4.28 A): 1 out of 17 assignments used, quality = 1.00: * HA GLN 61 + HB2 ASP 64 OK 100 100 100 100 3.3-4.3 1923=97, 2053/1.8=84...(5) HA ALA 21 - HB3 ASP 78 far 4 79 5 - 3.4-24.4 HA LYS 36 - HB3 ASP 35 far 3 64 5 - 4.6-5.5 HA THR 25 - HB3 ASP 35 far 3 61 5 - 3.7-13.1 HA SER 74 - HB3 ASP 78 far 0 78 0 - 5.4-6.7 HA LYS 19 - HB3 ASP 78 far 0 73 0 - 5.9-28.5 HA ARG 23 - HB3 ASP 78 far 0 82 0 - 5.9-19.8 HA LYS 26 - HB3 ASP 35 far 0 59 0 - 6.0-11.6 HA THR 25 - HB3 ASP 78 far 0 78 0 - 6.5-15.4 HA THR 18 - HB3 ASP 78 far 0 77 0 - 7.2-28.3 HA LEU 22 - HB3 ASP 78 far 0 74 0 - 7.4-21.5 HA ARG 23 - HB3 ASP 35 far 0 64 0 - 8.1-17.3 HA ALA 16 - HB3 ASP 78 far 0 82 0 - 8.3-33.7 HA LYS 31 - HB3 ASP 35 far 0 65 0 - 8.9-10.0 HA ALA 15 - HB3 ASP 78 far 0 83 0 - 9.0-34.5 HA ALA 12 - HB3 ASP 78 far 0 83 0 - 9.6-35.9 HA LYS 19 - HB3 ASP 35 far 0 56 0 - 9.6-25.7 Violated in 1 structures by 0.00 A. Peak 2048 from cnoeabs.peaks (7.96, 2.75, 39.83 ppm; 3.74 A): 1 out of 5 assignments used, quality = 0.98: * H ASP 64 + HB2 ASP 64 OK 98 100 100 98 2.7-2.8 3.9=91, 6837/4.6=41...(6) H ILE 37 - HB3 ASP 35 far 0 62 0 - 5.3-5.9 H THR 18 - HB3 ASP 78 far 0 73 0 - 8.7-30.9 H SER 38 - HB3 ASP 35 far 0 42 0 - 9.4-10.1 H ILE 37 - HB3 ASP 78 far 0 80 0 - 9.8-11.7 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 1 assignment used, quality = 1.00: * HA ASP 64 + HB2 ASP 64 OK 100 100 100 100 2.3-3.0 3.0=100 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 2 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 78 far 0 76 0 - 7.6-33.1 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 10 assignments used, quality = 0.99: * H THR 65 + HB2 ASP 64 OK 96 100 100 96 2.6-4.1 6840/1.8=63, 4.6=53...(10) H ASP 35 + HB3 ASP 35 OK 64 64 100 100 2.1-2.5 6383/1.8=86, 4.0=78...(6) H LYS 26 - HB3 ASP 35 far 0 61 0 - 4.9-11.4 H GLN 27 - HB3 ASP 35 far 0 62 0 - 6.3-10.7 H SER 74 - HB3 ASP 78 far 0 48 0 - 7.7-8.8 H LYS 26 - HB3 ASP 78 far 0 78 0 - 8.2-15.6 H LYS 24 - HB3 ASP 35 far 0 60 0 - 8.2-16.9 H LYS 24 - HB3 ASP 78 far 0 77 0 - 8.3-18.6 H ASP 35 - HB3 ASP 78 far 0 82 0 - 8.3-11.2 H GLY 14 - HB3 ASP 78 far 0 73 0 - 9.5-33.3 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 1 assignment used, quality = 1.00: * HA GLN 61 + HB3 ASP 64 OK 100 100 100 100 2.9-3.8 1924=100, 2047/1.8=88...(5) 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 1 assignment used, quality = 1.00: * H ASP 64 + HB3 ASP 64 OK 100 100 100 100 2.3-2.4 3.9=100 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 2 assignments used, quality = 1.00: * HA ASP 64 + HB3 ASP 64 OK 100 100 100 100 2.5-3.0 3.0=100 HA PRO 58 - HB3 ASP 64 far 0 100 0 - 9.7-10.6 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 1 assignment used, quality = 1.00: * HB2 ASP 64 + HB3 ASP 64 OK 100 100 100 100 1.8-1.8 1.8=100 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 1 assignment used, quality = 1.00: * H THR 65 + HB3 ASP 64 OK 100 100 100 100 2.8-3.9 6840=100, 6837/3.9=63...(9) 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 1 assignment used, quality = 1.00: * H THR 65 + HA THR 65 OK 100 100 100 100 2.8-2.9 2.9=100 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 1 assignment used, quality = 1.00: * HB THR 65 + HA THR 65 OK 100 100 100 100 3.0-3.0 3.0=100 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 2.3-2.4 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 3.5-3.9 3.7/2140=64, 6877/3.6=61...(16) 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 2 assignments used, quality = 0.99: * HB2 GLN 68 + HA THR 65 OK 95 100 95 100 3.1-5.2 1.8/2140=59...(18) HG2 GLN 68 + HA THR 65 OK 91 96 95 100 3.1-4.9 1.8/11023=57...(20) Violated in 0 structures by 0.00 A. Peak 2066 from cnoeabs.peaks (2.18, 3.97, 66.53 ppm; 4.86 A increased from 4.58 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 68 + HA THR 65 OK 100 100 100 100 4.0-4.9 2140=100, 3.0/11023=65...(17) HB3 LEU 69 - HA THR 65 far 9 95 10 - 5.4-6.0 Violated in 2 structures by 0.00 A. Peak 2067 from cnoeabs.peaks (3.85, 4.07, 67.84 ppm; 5.22 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 62 + HB THR 65 OK 100 100 100 100 3.0-3.4 1970=100, 10993/2.1=86...(9) HA LEU 123 - HB THR 65 far 0 100 0 - 7.6-8.6 HB2 SER 50 - HB THR 65 far 0 99 0 - 8.5-10.2 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 1 assignment used, quality = 1.00: * H THR 65 + HB THR 65 OK 100 100 100 100 2.5-2.8 4.0=100 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 6 assignments used, quality = 1.00: * HA THR 65 + HB THR 65 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 SER 51 - HB THR 65 far 0 63 0 - 7.6-8.4 HA SER 50 - HB THR 65 far 0 68 0 - 7.9-8.6 HA GLN 68 - HB THR 65 far 0 76 0 - 8.0-8.5 HA LEU 100 - HB THR 65 far 0 98 0 - 8.4-8.7 HB3 SER 51 - HB THR 65 far 0 97 0 - 8.8-9.4 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 - 8.7-9.8 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 1 assignment used, quality = 1.00: * H GLY 66 + HB THR 65 OK 100 100 100 100 2.3-2.7 4.5=100 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 1 assignment used, quality = 1.00: * H THR 65 + QG2 THR 65 OK 100 100 100 100 3.8-3.8 4.0=100 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 7 assignments used, quality = 1.00: * HA THR 65 + QG2 THR 65 OK 100 100 100 100 2.3-2.4 3.2=100 HB2 SER 51 - QG2 THR 65 far 0 63 0 - 5.3-6.1 HA GLN 68 - QG2 THR 65 far 0 76 0 - 6.0-6.5 HB3 SER 51 - QG2 THR 65 far 0 97 0 - 6.1-6.8 HA SER 50 - QG2 THR 65 far 0 68 0 - 6.3-6.8 HA GLN 127 - QG2 THR 65 far 0 100 0 - 7.7-8.4 HA LEU 100 - QG2 THR 65 far 0 98 0 - 8.6-9.0 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 4 assignments used, quality = 1.00: * HB THR 65 + QG2 THR 65 OK 100 100 100 100 2.1-2.1 2.1=100 HA GLU 44 - QG2 THR 65 far 0 89 0 - 7.2-7.6 HA LEU 122 - QG2 THR 65 far 0 90 0 - 7.8-9.0 HA LEU 96 - QG2 THR 65 far 0 73 0 - 9.1-9.5 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 1 assignment used, quality = 1.00: * H GLY 66 + QG2 THR 65 OK 100 100 100 100 3.4-3.7 4.4=100 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 2.8-2.8 2.9=100 H GLY 66 + HA3 GLY 66 OK 99 99 100 100 2.3-2.3 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 4 assignments used, quality = 1.00: * H HIS 67 + HA2 GLY 66 OK 100 100 100 100 3.5-3.5 3.6=100 H HIS 67 + HA3 GLY 66 OK 99 99 100 100 2.8-2.9 3.6=100 H SER 50 + HA2 GLY 66 OK 66 100 95 70 7.0-7.4 1579/9208=36...(4) H SER 50 - HA3 GLY 66 far 0 99 0 - 8.1-8.6 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 2.3-2.3 2.9=100 H GLY 66 + HA2 GLY 66 OK 99 99 100 100 2.8-2.8 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 4 assignments used, quality = 1.00: * H HIS 67 + HA3 GLY 66 OK 100 100 100 100 2.8-2.9 3.6=100 H HIS 67 + HA2 GLY 66 OK 99 99 100 100 3.5-3.5 3.6=100 H SER 50 + HA2 GLY 66 OK 65 99 95 70 7.0-7.4 1579/9208=36...(4) H SER 50 - HA3 GLY 66 far 0 100 0 - 8.1-8.6 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 2.8-2.8 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): 1 out of 4 assignments used, quality = 1.00: * HB2 HIS 67 + HA HIS 67 OK 100 100 100 100 2.7-3.0 3.0=100 HA VAL 63 - HA HIS 67 far 0 73 0 - 5.7-6.3 HB3 CYS 73 - HA HIS 67 far 0 81 0 - 8.7-9.5 HB3 TYR 72 - HA HIS 67 far 0 100 0 - 9.0-10.4 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 2.7-3.0 3.0=100 HA VAL 126 - HA HIS 67 far 0 63 0 - 9.7-10.2 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 = 0.99: * HD2 HIS 67 + HA HIS 67 OK 99 100 100 99 2.1-2.2 5501=87, 6870/2.9=56...(10) QD TYR 72 - HA HIS 67 far 0 100 0 - 7.5-8.1 Violated in 0 structures by 0.00 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 3.6-3.6 3.6=100 H GLU 102 - HA HIS 67 far 0 95 0 - 9.2-9.9 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 3.3-3.5 6936=100, 2268/11089=65...(20) H LEU 100 - HA HIS 67 far 0 78 0 - 6.9-7.5 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 4.1-4.7 3.2/11089=68...(17) HB3 LEU 70 + HA HIS 67 OK 100 100 100 100 2.6-3.1 3.2/11089=68...(18) 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 2.6-3.1 3.2/11089=68...(18) HB2 LEU 70 + HA HIS 67 OK 100 100 100 100 4.1-4.7 3.2/11089=68...(17) 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 1 assignment used, quality = 1.00: * HA ASP 64 + HB2 HIS 67 OK 100 100 100 100 2.9-4.5 2046/1.8=97, 2044/3.8=72...(9) 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 1 assignment used, quality = 1.00: * H HIS 67 + HB2 HIS 67 OK 100 100 100 100 2.1-3.5 3.8=100 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 1 assignment used, quality = 1.00: * HA HIS 67 + HB2 HIS 67 OK 100 100 100 100 2.7-3.0 3.0=100 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 3.5-3.8 4.0=100 QD TYR 72 - HB2 HIS 67 far 0 100 0 - 7.5-8.5 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 1 assignment used, quality = 1.00: * H GLN 68 + HB2 HIS 67 OK 100 100 100 100 2.6-3.2 4.4=100 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 1 assignment used, quality = 1.00: * HA ASP 64 + HB3 HIS 67 OK 100 100 100 100 2.9-4.5 2046=100, 2102/1.8=92...(8) 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 1 assignment used, quality = 1.00: * H HIS 67 + HB3 HIS 67 OK 100 100 100 100 2.1-3.5 3.8=100 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 1 assignment used, quality = 1.00: * HA HIS 67 + HB3 HIS 67 OK 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2113 from cnoeabs.peaks (3.34, 3.41, 27.78 ppm; 3.33 A): 1 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 far 0 73 0 - 5.0-6.9 HB3 TYR 72 - HB3 HIS 67 far 0 100 0 - 9.6-11.8 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 3.6-3.8 4.0=100 QD TYR 72 - HB3 HIS 67 far 0 100 0 - 7.6-8.8 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 1 assignment used, quality = 1.00: * H GLN 68 + HB3 HIS 67 OK 100 100 100 100 2.6-3.2 4.4=100 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 - 6.9-7.3 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 6 assignments used, quality = 1.00: * HB2 GLN 68 + HA GLN 68 OK 100 100 100 100 2.4-2.7 3.0=100 HG2 GLN 68 + HA GLN 68 OK 96 96 100 100 3.7-3.8 3.7=100 HG2 GLU 91 + HA GLU 91 OK 78 78 100 100 2.7-4.2 3.9=100 HB3 LEU 96 - HA GLU 91 far 0 66 0 - 8.2-8.7 HB3 GLU 97 - HA GLN 68 far 0 100 0 - 9.5-11.0 HB3 GLU 128 - HA GLU 91 far 0 79 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 2121 from cnoeabs.peaks (2.18, 3.99, 58.83 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 68 + HA GLN 68 OK 100 100 100 100 2.2-2.5 3.0=100 HB3 LEU 69 - HA GLN 68 far 0 95 0 - 5.5-5.6 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 6 assignments used, quality = 1.00: * HG2 GLN 68 + HA GLN 68 OK 100 100 100 100 3.7-3.8 3.7=100 HB2 GLN 68 + HA GLN 68 OK 96 96 100 100 2.4-2.7 3.0=100 HG2 GLU 91 + HA GLU 91 OK 80 80 100 100 2.7-4.2 3.9=98, 1.8/2884=72...(14) HB3 LEU 96 - HA GLU 91 far 0 80 0 - 8.2-8.7 HB3 GLU 97 - HA GLN 68 far 0 92 0 - 9.5-11.0 HB3 GLU 128 - HA GLU 91 far 0 79 0 - 9.8-10.6 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 3 assignments used, quality = 1.00: * HG3 GLN 68 + HA GLN 68 OK 100 100 100 100 3.4-3.8 3.7=100 HB VAL 77 - HA GLU 91 far 0 75 0 - 8.9-9.6 HG2 GLU 44 - HA GLN 68 far 0 93 0 - 9.4-12.7 Violated in 1 structures by 0.00 A. Peak 2124 from cnoeabs.peaks (6.86, 3.99, 58.83 ppm; 5.91 A increased from 5.56 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 68 + HA GLN 68 OK 100 100 100 100 4.1-5.8 5.2=100 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 5 assignments used, quality = 1.00: * H LEU 69 + HA GLN 68 OK 100 100 100 100 3.5-3.5 3.6=100 H TYR 72 + HA GLN 68 OK 74 76 100 98 4.2-4.7 3.4/6956=59, 4.6/2129=50...(12) H LEU 96 - HA GLU 91 far 0 52 0 - 6.9-7.6 H GLY 17 - HA GLU 91 far 0 59 0 - 9.0-42.7 H LEU 49 - HA GLN 68 far 0 100 0 - 9.2-10.0 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 3.4-3.7 6956=82, 6968/2129=56...(14) H GLU 91 + HA GLU 91 OK 73 73 100 100 2.7-2.8 2.9=100 H ALA 15 - HA GLU 91 far 0 80 0 - 6.4-41.8 H PHE 87 - HA GLU 91 far 0 59 0 - 8.1-8.8 H ALA 15 - HA GLN 68 far 0 100 0 - 8.3-37.2 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 3.8-4.4 2284=95, 1.8/2129=89...(13) Violated in 1 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 2.8-3.5 2290=91, 1.8/2128=65...(13) HB2 ASN 13 - HA GLU 91 far 4 81 5 - 2.6-42.1 HB2 ASN 13 - HA GLN 68 far 0 100 0 - 8.3-36.6 HB3 ASP 64 - HA GLN 68 far 0 96 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 2130 from cnoeabs.peaks (3.97, 2.22, 28.25 ppm; 4.32 A): 2 out of 15 assignments used, quality = 0.99: * HA THR 65 + HB2 GLN 68 OK 95 100 95 100 3.1-5.2 2066/1.8=64...(18) HA GLN 68 + HB2 GLN 68 OK 76 76 100 100 2.4-2.7 3.0=100 HB2 SER 106 - HB3 GLU 102 poor 14 60 45 52 3.3-6.4 10105/11545=25...(10) HB3 SER 106 - HB3 GLU 102 poor 8 58 45 29 4.1-6.9 10270/11545=8...(8) HA LEU 100 - HB3 GLU 102 far 0 57 0 - 5.3-7.0 HB2 SER 124 - HB3 GLU 128 far 0 60 0 - 5.9-6.7 HA GLN 127 - HB3 GLU 128 far 0 92 0 - 6.1-6.5 HD3 PRO 117 - HB3 GLU 102 far 0 47 0 - 6.1-9.0 HA LEU 100 - HB2 GLN 101 far 0 48 0 - 6.3-6.6 HB3 SER 107 - HB3 GLU 102 far 0 56 0 - 6.5-9.8 HB2 SER 106 - HB2 GLN 101 far 0 50 0 - 8.9-10.7 HB3 SER 106 - HB2 GLN 101 far 0 48 0 - 9.4-10.8 HB3 SER 107 - HB2 GLN 101 far 0 47 0 - 9.4-12.0 HA SER 50 - HB3 GLU 128 far 0 57 0 - 9.8-11.0 HA GLU 91 - HB3 GLU 128 far 0 87 0 - 9.8-10.6 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 5 assignments used, quality = 1.00: * H GLN 68 + HB2 GLN 68 OK 100 100 100 100 2.1-3.6 3.7=100 H GLU 128 + HB3 GLU 128 OK 69 69 100 100 3.1-3.6 3.6=100 H GLU 102 + HB3 GLU 102 OK 53 53 100 100 2.1-3.7 3.8=100 H GLU 102 + HB2 GLN 101 OK 44 44 100 100 3.8-4.4 7449/1.8=69, 4.7=64...(17) H ALA 88 - HB3 GLU 128 far 0 90 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 2132 from cnoeabs.peaks (3.99, 2.22, 28.25 ppm; 4.24 A): 3 out of 17 assignments used, quality = 1.00: * HA GLN 68 + HB2 GLN 68 OK 100 100 100 100 2.4-2.7 3.0=100 HA THR 65 + HB2 GLN 68 OK 71 76 95 99 3.1-5.2 2066/1.8=40, 2065=33...(18) HA LEU 103 + HB3 GLU 102 OK 24 39 65 94 4.5-5.1 3.0/7469=60...(12) HB2 SER 106 - HB3 GLU 102 poor 15 33 45 - 3.3-6.4 HB3 SER 106 - HB3 GLU 102 poor 6 51 40 27 4.1-6.9 10270/11545=8...(8) HB3 SER 99 - HB3 GLU 102 far 3 54 5 - 4.8-6.8 HB2 SER 124 - HB3 GLU 128 far 0 92 0 - 5.9-6.7 HA GLN 127 - HB3 GLU 128 far 0 62 0 - 6.1-6.5 HA LEU 103 - HB2 GLN 101 far 0 32 0 - 8.0-8.6 HA LYS 95 - HB3 GLU 102 far 0 34 0 - 8.3-10.8 HB3 SER 99 - HB2 GLN 101 far 0 45 0 - 8.5-9.4 HB2 SER 106 - HB2 GLN 101 far 0 27 0 - 8.9-10.7 HA ILE 37 - HB2 GLN 68 far 0 65 0 - 9.3-12.4 HB3 SER 106 - HB2 GLN 101 far 0 42 0 - 9.4-10.8 HA SER 50 - HB3 GLU 128 far 0 91 0 - 9.8-11.0 HA GLU 91 - HB3 GLU 128 far 0 83 0 - 9.8-10.6 HA ARG 135 - HB3 GLU 128 far 0 62 0 - 9.9-12.0 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 6 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 0 95 0 - 5.3-5.7 HB2 GLN 101 - HB3 GLU 102 far 0 31 0 - 5.7-6.8 HB2 GLN 104 - HB2 GLN 101 far 0 46 0 - 6.9-7.7 HB2 GLN 104 - HB3 GLU 102 far 0 55 0 - 9.0-9.2 HB VAL 133 - HB3 GLU 128 far 0 84 0 - 9.2-10.8 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 5 assignments used, quality = 1.00: * HG3 GLN 68 + HB2 GLN 68 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 101 + HB2 GLN 101 OK 32 32 100 100 1.8-1.8 1.8=100 HB3 GLN 101 - HB3 GLU 102 far 0 39 0 - 5.0-7.3 HG2 GLU 44 - HB2 GLN 68 far 0 93 0 - 8.8-11.8 HB3 GLN 134 - HB3 GLU 128 far 0 90 0 - 9.8-12.3 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 3 assignments used, quality = 1.00: * HE21 GLN 68 + HB2 GLN 68 OK 100 100 100 100 2.4-4.2 4.6=100 HD21 ASN 121 - HB3 GLU 102 poor 15 45 50 67 6.5-8.0 10329/11606=53...(4) HE21 GLN 61 - HB2 GLN 68 far 0 78 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 2138 from cnoeabs.peaks (7.76, 2.22, 28.25 ppm; 4.64 A): 1 out of 5 assignments used, quality = 1.00: * HE22 GLN 68 + HB2 GLN 68 OK 100 100 100 100 1.9-4.2 4.6=100 H VAL 118 - HB3 GLU 102 far 0 60 0 - 5.7-7.8 H LEU 98 - HB3 GLU 102 far 0 37 0 - 6.5-9.4 H LEU 98 - HB2 GLN 101 far 0 31 0 - 6.9-7.7 HD22 ASN 121 - HB3 GLU 102 far 0 44 0 - 7.1-8.5 Violated in 0 structures by 0.00 A. Peak 2139 from cnoeabs.peaks (8.30, 2.22, 28.25 ppm; 4.15 A): 1 out of 10 assignments used, quality = 1.00: * H LEU 69 + HB2 GLN 68 OK 100 100 100 100 3.4-3.7 4.4=82, 6893/3.7=57...(18) H SER 99 - HB3 GLU 102 far 0 58 0 - 4.8-7.3 H TYR 72 - HB2 GLN 68 far 0 76 0 - 5.3-6.7 H ASP 131 - HB3 GLU 128 far 0 52 0 - 5.3-5.7 H VAL 126 - HB3 GLU 128 far 0 89 0 - 6.5-7.0 H SER 99 - HB2 GLN 101 far 0 49 0 - 7.1-7.6 H LEU 49 - HB2 GLN 68 far 0 100 0 - 7.3-8.6 H LEU 96 - HB3 GLU 128 far 0 62 0 - 8.8-9.6 H LEU 43 - HB2 GLN 68 far 0 97 0 - 9.6-11.7 H LEU 96 - HB3 GLU 102 far 0 37 0 - 9.7-12.2 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 2 assignments used, quality = 1.00: * HA THR 65 + HB3 GLN 68 OK 100 100 100 100 4.0-4.9 2066=78, 11023/3.0=55...(17) HA GLN 68 + HB3 GLN 68 OK 76 76 100 100 2.2-2.5 3.0=100 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 1 assignment used, quality = 1.00: * H GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.4-3.5 3.7=100 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 3 assignments used, quality = 1.00: * HA GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.2-2.5 3.0=100 HA THR 65 + HB3 GLN 68 OK 75 76 100 99 4.0-4.9 2066=49, 11023/3.0=35...(17) HA ILE 37 - HB3 GLN 68 far 0 65 0 - 8.7-11.1 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 2 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 2.3-3.0 3.0=76, 2150/3.7=21...(17) 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 2 assignments used, quality = 1.00: * HG2 GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 68 + HB3 GLN 68 OK 96 96 100 100 1.8-1.8 1.8=100 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 2 assignments used, quality = 1.00: * HG3 GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 44 - HB3 GLN 68 far 0 93 0 - 7.8-11.1 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 1 assignment used, quality = 1.00: * HE21 GLN 68 + HB3 GLN 68 OK 100 100 100 100 1.9-4.3 4.6=100 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 1.7-4.6 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): 1 out of 4 assignments used, quality = 1.00: * H LEU 69 + HB3 GLN 68 OK 100 100 100 100 3.8-4.1 4.4=100 H TYR 72 - HB3 GLN 68 far 0 76 0 - 5.3-6.5 H LEU 49 - HB3 GLN 68 far 0 100 0 - 8.0-9.1 H LEU 43 - HB3 GLN 68 far 0 97 0 - 9.7-11.1 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 2.5-4.2 2159/1.8=69, 6889=51...(17) H ALA 41 - HG2 GLN 68 far 0 65 0 - 9.5-12.0 Violated in 1 structures by 0.01 A. Peak 2151 from cnoeabs.peaks (3.99, 2.23, 33.86 ppm; 3.54 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 68 + HG2 GLN 68 OK 100 100 100 100 3.7-3.8 3.7=87, 2160/1.8=70...(24) HA THR 65 + HG2 GLN 68 OK 69 76 95 96 3.1-4.9 3.2/9479=32, 2140/3.0=26...(20) HA ILE 37 - HG2 GLN 68 far 0 65 0 - 8.7-11.9 Violated in 1 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 2 assignments used, quality = 1.00: * HB3 GLN 68 + HG2 GLN 68 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 69 + HG2 GLN 68 OK 93 95 100 98 3.3-4.6 3.7/2158=51...(24) 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 2 assignments used, quality = 1.00: * HG3 GLN 68 + HG2 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 44 - HG2 GLN 68 far 0 93 0 - 7.6-10.7 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 2.1-3.8 3.5=100 HE21 GLN 61 - HG2 GLN 68 far 0 78 0 - 9.9-11.9 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 2.8-4.1 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): 1 out of 5 assignments used, quality = 1.00: * H LEU 69 + HG2 GLN 68 OK 100 100 100 100 1.8-3.2 6922/1.8=76, 2139/3.0=71...(22) H TYR 72 - HG2 GLN 68 far 0 76 0 - 5.3-6.2 H LEU 49 - HG2 GLN 68 far 0 100 0 - 5.5-6.9 H LEU 43 - HG2 GLN 68 far 0 97 0 - 8.0-10.0 H VAL 126 - HG2 GLN 68 far 0 99 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 2159 from cnoeabs.peaks (7.86, 2.32, 33.86 ppm; 4.17 A increased from 3.92 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HG3 GLN 68 OK 100 100 100 100 3.0-4.2 6890=97, 2150/1.8=82...(13) H ALA 41 - HG3 GLN 68 far 0 65 0 - 9.9-11.1 Violated in 1 structures by 0.00 A. Peak 2160 from cnoeabs.peaks (3.99, 2.32, 33.86 ppm; 3.66 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 68 + HG3 GLN 68 OK 100 100 100 100 3.4-3.8 3.7=96, 2.9/2159=48...(19) HA THR 65 - HG3 GLN 68 far 4 76 5 - 3.9-5.0 HA ILE 37 - HG3 GLN 68 far 0 65 0 - 9.3-10.2 Violated in 1 structures by 0.01 A. Peak 2161 from cnoeabs.peaks (2.22, 2.32, 33.86 ppm; 2.80 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 68 + HG3 GLN 68 OK 97 100 100 97 2.3-3.0 3.0=82, 3.0/2160=32...(15) HG2 GLN 68 + HG3 GLN 68 OK 96 96 100 100 1.8-1.8 1.8=100 HB3 LEU 96 - HG3 GLN 68 far 0 89 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 2162 from cnoeabs.peaks (2.18, 2.32, 33.86 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 69 - HG3 GLN 68 far 5 95 5 - 3.3-4.4 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 3 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 84 96 100 88 2.3-3.0 3.0=58, 3.0/2160=24...(13) HB3 LEU 96 - HG3 GLN 68 far 0 100 0 - 9.5-11.1 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 1 assignment used, quality = 1.00: * HE21 GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.9-4.1 3.5=100 Violated in 2 structures by 0.03 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 3.4-4.0 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 5 assignments used, quality = 1.00: * H LEU 69 + HG3 GLN 68 OK 100 100 100 100 1.8-3.0 6922=100, 2158/1.8=93...(17) H TYR 72 + HG3 GLN 68 OK 73 76 100 97 4.6-5.6 4.5/9482=60...(9) H LEU 49 - HG3 GLN 68 far 0 100 0 - 6.2-7.5 H LEU 43 - HG3 GLN 68 far 0 97 0 - 8.3-9.1 H VAL 126 - HG3 GLN 68 far 0 99 0 - 9.9-11.3 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 6 assignments used, quality = 1.00: * H LEU 69 + HA LEU 69 OK 100 100 100 100 2.8-2.8 2.9=100 H TYR 72 + HA LEU 69 OK 76 76 100 100 3.4-3.6 3.8/2178=78...(22) H LEU 43 - HA LEU 69 far 0 97 0 - 7.3-7.9 H LEU 49 - HA LEU 69 far 0 100 0 - 7.3-7.9 H VAL 126 - HA LEU 69 far 0 99 0 - 8.9-9.2 H LEU 96 - HA LEU 69 far 0 73 0 - 9.8-10.2 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 3 assignments used, quality = 1.00: * HB2 LEU 69 + HA LEU 69 OK 100 100 100 100 2.7-2.9 3.0=100 HG LEU 43 - HA LEU 69 far 0 68 0 - 8.9-10.1 HD3 LYS 36 - HA LEU 69 far 0 100 0 - 9.4-11.2 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 2.8-2.9 3.0=100 HB3 GLN 68 + HA LEU 69 OK 95 95 100 100 4.9-5.6 ~2139=81, 11048/3.9=73...(21) HB2 GLU 97 - HA LEU 69 far 0 65 0 - 8.4-11.1 HB VAL 133 - HA LEU 69 far 0 71 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 2172 from cnoeabs.peaks (1.51, 4.33, 58.25 ppm; 6.05 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 69 + HA LEU 69 OK 100 100 100 100 3.6-3.6 3.7=100 HG LEU 42 + HA LEU 69 OK 63 63 100 100 3.9-4.4 9520/6973=60...(14) HB2 LEU 49 - HA LEU 69 far 0 89 0 - 7.0-8.2 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 1.8-2.1 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): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 69 + HA LEU 69 OK 100 100 100 100 2.4-2.6 3.9=100 QD2 LEU 70 + HA LEU 69 OK 94 95 100 100 4.7-5.0 2268/3.6=79, 2269/4.9=66...(13) 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 3.5-3.5 3.6=100 H ASP 47 - HA LEU 69 far 0 99 0 - 7.3-7.6 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 3.4-3.6 6973=100, 6974/3.6=77...(22) H LEU 69 + HA LEU 69 OK 76 76 100 100 2.8-2.8 2.9=100 H LEU 49 - HA LEU 69 far 0 85 0 - 7.3-7.9 H GLU 44 - HA LEU 69 far 0 97 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 2178 from cnoeabs.peaks (3.34, 4.33, 58.25 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HB3 TYR 72 + HA LEU 69 OK 100 100 100 100 3.2-4.8 2.7/11028=100...(21) HB3 CYS 73 + HA LEU 69 OK 85 85 100 100 5.9-6.5 3.8/6988=87, 2233/4.9=74...(16) HB2 HIS 67 - HA LEU 69 far 0 100 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 2181 from cnoeabs.peaks (8.30, 1.67, 40.48 ppm; 5.75 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 69 + HB2 LEU 69 OK 100 100 100 100 3.3-3.4 3.7=100 H TYR 72 + HB2 LEU 69 OK 76 76 100 100 5.2-5.4 6973/3.0=63, 9522/3.2=54...(17) H VAL 126 - HB2 LEU 69 far 0 99 0 - 6.5-6.9 H LEU 96 - HB2 LEU 69 far 0 73 0 - 7.1-7.5 H LEU 49 - HB2 LEU 69 far 0 100 0 - 7.3-7.6 H LEU 43 - HB2 LEU 69 far 0 97 0 - 9.1-9.5 H SER 99 - HB2 LEU 69 far 0 99 0 - 9.5-10.2 H ASP 131 - HB2 LEU 69 far 0 63 0 - 10.0-10.7 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 3 assignments used, quality = 1.00: * HA LEU 69 + HB2 LEU 69 OK 100 100 100 100 2.7-2.9 3.0=100 HA CYS 125 - HB2 LEU 69 far 0 73 0 - 8.8-9.3 HA ASP 47 - HB2 LEU 69 far 0 96 0 - 9.4-9.7 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): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 69 + HB2 LEU 69 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 97 - HB2 LEU 69 far 0 65 0 - 6.3-8.8 HB3 GLN 68 - HB2 LEU 69 far 0 95 0 - 7.0-7.1 HB VAL 133 - HB2 LEU 69 far 0 71 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 2185 from cnoeabs.peaks (1.51, 1.67, 40.48 ppm; 5.14 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 69 + HB2 LEU 69 OK 100 100 100 100 2.4-2.4 2.9=100 HG LEU 42 + HB2 LEU 69 OK 38 63 60 100 5.4-5.9 ~11039=61, ~11066=60...(20) HB2 LEU 49 - HB2 LEU 69 far 0 89 0 - 6.1-7.0 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 1 assignment used, quality = 1.00: * QD1 LEU 69 + HB2 LEU 69 OK 100 100 100 100 2.4-2.5 3.2=100 Violated in 0 structures by 0.00 A. Peak 2187 from cnoeabs.peaks (0.87, 1.67, 40.48 ppm; 6.40 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 69 + HB2 LEU 69 OK 100 100 100 100 3.2-3.2 3.0=100 QD2 LEU 70 + HB2 LEU 69 OK 95 95 100 100 2.9-3.3 2268/6941=90...(11) QD2 LEU 98 - HB2 LEU 69 far 0 99 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 2188 from cnoeabs.peaks (8.46, 1.67, 40.48 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 70 + HB2 LEU 69 OK 100 100 100 100 2.9-3.3 4.4=100 H ASP 47 - HB2 LEU 69 far 0 99 0 - 8.1-8.3 H LEU 100 - HB2 LEU 69 far 0 78 0 - 8.7-9.0 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 2.7-2.9 11058/3.2=86...(18) HA3 GLY 66 + HB3 LEU 69 OK 100 100 100 100 4.2-4.5 ~11058=73, ~11053=67...(18) 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 4.2-4.5 ~11058=73, ~11053=67...(18) HA2 GLY 66 + HB3 LEU 69 OK 100 100 100 100 2.7-2.9 11058/3.2=89...(18) 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 7 assignments used, quality = 1.00: * H LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.0-2.1 3.7=100 H LEU 49 + HB3 LEU 69 OK 80 100 95 84 6.0-6.5 2215/3.0=45, 3.9/2195=28...(9) H TYR 72 + HB3 LEU 69 OK 76 76 100 100 5.7-5.9 6973/3.0=64, 9522/3.2=56...(17) H VAL 126 - HB3 LEU 69 far 0 99 0 - 6.8-7.3 H LEU 96 - HB3 LEU 69 far 0 73 0 - 8.1-8.7 H LEU 43 - HB3 LEU 69 far 0 97 0 - 9.4-10.1 H SER 99 - HB3 LEU 69 far 0 99 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 2192 from cnoeabs.peaks (4.33, 2.16, 40.48 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.8-2.9 3.0=100 HA ASP 47 - HB3 LEU 69 far 0 96 0 - 9.0-9.3 HA CYS 125 - HB3 LEU 69 far 0 73 0 - 9.7-10.2 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 1 assignment used, quality = 1.00: * HB2 LEU 69 + HB3 LEU 69 OK 100 100 100 100 1.8-1.8 1.8=100 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 3 assignments used, quality = 1.00: * HG LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.4-2.5 2.9=100 HB2 LEU 49 + HB3 LEU 69 OK 89 89 100 100 5.2-6.3 ~11048=69, 3.2/11059=38...(19) HG LEU 42 + HB3 LEU 69 OK 63 63 100 100 6.2-6.7 ~11039=83, ~11066=82...(22) 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 1 assignment used, quality = 1.00: * QD1 LEU 69 + HB3 LEU 69 OK 100 100 100 100 3.2-3.2 3.2=100 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 3 assignments used, quality = 1.00: * QD2 LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.1-2.2 3.0=100 QD2 LEU 70 + HB3 LEU 69 OK 92 95 100 97 3.6-3.9 2268/4.4=61, 2187/1.8=41...(10) QD2 LEU 98 - HB3 LEU 69 far 0 99 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 2198 from cnoeabs.peaks (8.46, 2.16, 40.48 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 70 + HB3 LEU 69 OK 100 100 100 100 3.0-3.3 4.4=100 H ASP 47 - HB3 LEU 69 far 0 99 0 - 7.6-7.9 H LEU 100 - HB3 LEU 69 far 0 78 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 2199 from cnoeabs.peaks (8.30, 1.51, 27.00 ppm; 5.41 A): 3 out of 7 assignments used, quality = 1.00: * H LEU 69 + HG LEU 69 OK 100 100 100 100 4.2-4.4 5.2=100 H VAL 126 + HG LEU 69 OK 93 99 100 94 5.5-5.8 ~11052=53, ~11077=49...(8) H LEU 49 + HG LEU 69 OK 88 100 100 88 5.3-5.7 2215/2.1=47...(9) H TYR 72 - HG LEU 69 far 0 76 0 - 6.8-7.1 H LEU 96 - HG LEU 69 far 0 73 0 - 8.0-8.4 H LEU 43 - HG LEU 69 far 0 97 0 - 8.2-8.8 H ASP 131 - HG LEU 69 far 0 63 0 - 8.5-9.2 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 3 assignments used, quality = 1.00: * HA LEU 69 + HG LEU 69 OK 100 100 100 100 3.6-3.6 3.7=100 HA ASP 47 - HG LEU 69 far 0 96 0 - 7.1-7.3 HA CYS 125 - HG LEU 69 far 0 73 0 - 8.2-8.5 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 3 assignments used, quality = 1.00: * HB2 LEU 69 + HG LEU 69 OK 100 100 100 100 2.4-2.4 2.9=100 HG LEU 43 - HG LEU 69 far 0 68 0 - 9.1-10.0 HB2 LEU 123 - HG LEU 69 far 0 85 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 2202 from cnoeabs.peaks (2.16, 1.51, 27.00 ppm; 6.51 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 69 + HG LEU 69 OK 100 100 100 100 2.4-2.5 2.9=100 HB3 GLN 68 - HG LEU 69 far 0 95 0 - 7.3-7.8 HB2 GLU 97 - HG LEU 69 far 0 65 0 - 8.3-10.7 HB VAL 133 - HG LEU 69 far 0 71 0 - 9.2-10.1 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 1 assignment used, quality = 1.00: * QD1 LEU 69 + HG LEU 69 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2205 from cnoeabs.peaks (0.87, 1.51, 27.00 ppm; 3.83 A): 1 out of 3 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 far 0 95 0 - 4.7-5.1 QD2 LEU 123 - HG LEU 69 far 0 92 0 - 9.3-9.7 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 3 assignments used, quality = 1.00: * H LEU 70 + HG LEU 69 OK 100 100 100 100 5.1-5.3 6943=100, 6941/2.9=100...(9) H ASP 47 + HG LEU 69 OK 95 99 100 97 6.0-6.2 3.7/9182=60, 2222/2.1=50...(7) H LEU 100 - HG LEU 69 far 0 78 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 2207 from cnoeabs.peaks (8.30, 1.01, 23.30 ppm; 4.22 A increased from 3.97 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 69 + QD1 LEU 69 OK 100 100 100 100 3.9-4.1 4.3=95, 2.9/2208=74...(15) H TYR 72 + QD1 LEU 69 OK 75 76 100 99 4.2-4.7 4.5/11064=45...(16) H LEU 43 - QD1 LEU 69 far 0 97 0 - 5.1-5.5 H LEU 49 - QD1 LEU 69 far 0 100 0 - 5.5-6.0 H VAL 126 - QD1 LEU 69 far 0 99 0 - 6.0-6.1 H ASP 131 - QD1 LEU 69 far 0 63 0 - 6.6-7.1 H LEU 96 - QD1 LEU 69 far 0 73 0 - 7.4-7.8 H GLU 40 - QD1 LEU 69 far 0 87 0 - 8.8-9.3 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 1.8-2.1 2173=90, 11811/11037=33...(23) HA ASP 47 - QD1 LEU 69 far 0 96 0 - 6.1-6.6 HA CYS 125 - QD1 LEU 69 far 0 73 0 - 7.6-7.9 HA TYR 76 - QD1 LEU 69 far 0 85 0 - 7.8-8.2 HA ASP 131 - QD1 LEU 69 far 0 76 0 - 8.4-9.1 HA2 GLY 75 - QD1 LEU 69 far 0 95 0 - 8.9-9.4 HA GLN 134 - QD1 LEU 69 far 0 78 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 2209 from cnoeabs.peaks (1.67, 1.01, 23.30 ppm; 3.81 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 69 + QD1 LEU 69 OK 100 100 100 100 2.4-2.5 3.2=100 HG LEU 43 - QD1 LEU 69 far 0 68 0 - 6.0-6.9 QB ALA 88 - QD1 LEU 69 far 0 99 0 - 9.1-9.6 HD3 LYS 36 - QD1 LEU 69 far 0 100 0 - 9.3-10.5 HD2 LYS 39 - QD1 LEU 69 far 0 98 0 - 9.4-10.7 HB2 LEU 123 - QD1 LEU 69 far 0 85 0 - 9.9-10.3 HD2 LYS 95 - QD1 LEU 69 far 0 92 0 - 10.0-12.5 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 4 assignments used, quality = 1.00: * HB3 LEU 69 + QD1 LEU 69 OK 100 100 100 100 3.2-3.2 3.2=100 HB3 GLN 68 - QD1 LEU 69 far 0 95 0 - 5.8-6.6 HB VAL 133 - QD1 LEU 69 far 0 71 0 - 6.2-7.0 HB2 GLU 97 - QD1 LEU 69 far 0 65 0 - 7.4-9.6 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 3 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 61 63 100 97 2.3-2.8 2.1/11039=63...(19) HB2 LEU 49 - QD1 LEU 69 far 0 89 0 - 5.2-5.9 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): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 69 + QD1 LEU 69 OK 100 100 100 100 1.9-2.0 2.1=100 QD2 LEU 70 - QD1 LEU 69 far 0 95 0 - 4.2-4.7 QD2 LEU 123 - QD1 LEU 69 far 0 92 0 - 9.1-9.5 QD2 LEU 98 - QD1 LEU 69 far 0 99 0 - 9.4-11.1 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 4.3-4.5 6944=100, 6941/3.2=86...(11) H ASP 47 + QD1 LEU 69 OK 99 99 100 100 4.6-5.0 3.7/11046=83...(11) H VAL 132 - QD1 LEU 69 far 0 99 0 - 7.6-8.0 H LEU 100 - QD1 LEU 69 far 0 78 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 2215 from cnoeabs.peaks (8.30, 0.87, 28.07 ppm; 4.55 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.3-2.8 4.9=79, 6928/2.1=64...(19) H LEU 49 + QD2 LEU 69 OK 97 100 100 97 3.3-3.7 1455/11054=51...(12) H TYR 72 - QD2 LEU 69 far 0 76 0 - 5.3-5.5 H LEU 43 - QD2 LEU 69 far 0 97 0 - 5.9-6.7 H VAL 126 - QD2 LEU 69 far 0 99 0 - 6.1-6.5 H ASP 131 - QD2 LEU 69 far 0 63 0 - 8.1-8.8 H LEU 96 - QD2 LEU 69 far 0 73 0 - 8.6-8.9 H GLU 40 - QD2 LEU 69 far 0 87 0 - 9.7-10.4 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 5 assignments used, quality = 1.00: * HA LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.4-2.6 3.9=100 HA ASP 47 + QD2 LEU 69 OK 89 96 100 93 5.4-5.6 10901/11045=58...(7) HA CYS 125 - QD2 LEU 69 far 0 73 0 - 8.6-9.0 HA TYR 76 - QD2 LEU 69 far 0 85 0 - 9.8-10.1 HA ASP 131 - QD2 LEU 69 far 0 76 0 - 9.9-10.7 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 5 assignments used, quality = 1.00: * HB2 LEU 69 + QD2 LEU 69 OK 100 100 100 100 3.2-3.2 3.0=100 HG LEU 43 - QD2 LEU 69 far 0 68 0 - 7.2-8.0 HB2 LEU 123 - QD2 LEU 69 far 0 85 0 - 8.8-9.8 HD3 LYS 36 - QD2 LEU 69 far 0 100 0 - 9.4-11.0 HG LEU 62 - QD2 LEU 69 far 0 81 0 - 9.5-9.9 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 4 assignments used, quality = 1.00: * HB3 LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.1-2.2 3.0=100 HB3 GLN 68 + QD2 LEU 69 OK 60 95 65 98 4.3-5.0 11048=57, 1.8/11021=55...(17) HB2 GLU 97 - QD2 LEU 69 far 0 65 0 - 8.2-10.4 HB VAL 133 - QD2 LEU 69 far 0 71 0 - 8.2-8.8 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 83 89 100 94 3.2-4.3 1.8/11048=34...(21) HG LEU 42 + QD2 LEU 69 OK 59 63 95 99 3.9-4.5 ~11039=43, ~11066=42...(21) HB2 LEU 53 - QD2 LEU 69 far 0 99 0 - 9.0-10.5 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 1 assignment used, quality = 1.00: * QD1 LEU 69 + QD2 LEU 69 OK 100 100 100 100 1.9-2.0 2.1=100 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 4.4-4.6 6941/3.0=100...(12) H ASP 47 + QD2 LEU 69 OK 99 99 100 100 3.9-4.2 3.6/11054=99...(11) H LEU 100 - QD2 LEU 69 far 0 78 0 - 9.2-9.6 H VAL 132 - QD2 LEU 69 far 0 99 0 - 9.6-10.1 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 2 assignments used, quality = 1.00: * H LEU 70 + HA LEU 70 OK 100 100 100 100 2.8-2.8 2.9=100 H LEU 100 - HA LEU 70 far 0 78 0 - 8.6-9.3 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 4 assignments used, quality = 1.00: * HB2 LEU 70 + HA LEU 70 OK 100 100 100 100 2.7-2.8 3.0=100 HB3 LEU 70 + HA LEU 70 OK 100 100 100 100 2.9-3.0 3.0=100 HG3 ARG 90 - HA LEU 70 far 0 81 0 - 7.2-10.7 HG LEU 98 - HA LEU 70 far 0 100 0 - 9.8-11.6 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 4 assignments used, quality = 1.00: * HB3 LEU 70 + HA LEU 70 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 LEU 70 + HA LEU 70 OK 100 100 100 100 2.7-2.8 3.0=100 HG3 ARG 90 - HA LEU 70 far 0 87 0 - 7.2-10.7 HG LEU 98 - HA LEU 70 far 0 100 0 - 9.8-11.6 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 3.6-3.7 3.7=100 HG LEU 122 - HA LEU 70 far 0 99 0 - 8.6-11.7 HB2 LEU 122 - HA LEU 70 far 0 100 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 2228 from cnoeabs.peaks (0.82, 3.88, 58.34 ppm; 3.77 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 70 + HA LEU 70 OK 100 100 100 100 2.4-3.0 2261=100, 2.1/2269=84...(20) QG2 ILE 129 - HA LEU 70 far 0 100 0 - 5.4-6.4 QD1 LEU 122 - HA LEU 70 far 0 96 0 - 6.3-8.6 QD2 LEU 49 - HA LEU 70 far 0 78 0 - 7.0-7.3 QD1 LEU 53 - HA LEU 70 far 0 71 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 2229 from cnoeabs.peaks (0.86, 3.88, 58.34 ppm; 3.62 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 70 + HA LEU 70 OK 100 100 100 100 1.8-2.1 2269=100, 2.1/2261=68...(18) QD2 LEU 69 - HA LEU 70 far 0 95 0 - 6.0-6.1 QD2 LEU 98 - HA LEU 70 far 0 83 0 - 7.7-10.2 QD1 LEU 98 - HA LEU 70 far 0 99 0 - 9.2-10.9 Violated in 0 structures by 0.00 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 3.6-3.6 3.6=100 H ALA 15 - HA LEU 70 far 0 100 0 - 6.4-37.1 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 3.1-3.7 6989=100, 3.8/2233=68...(20) 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 2.0-2.6 1.8/2233=93...(16) HB2 TYR 76 - HA LEU 70 far 0 97 0 - 7.4-8.3 HB2 CYS 125 - HA LEU 70 far 0 96 0 - 8.2-10.2 Violated in 0 structures by 0.00 A. Peak 2233 from cnoeabs.peaks (3.32, 3.88, 58.34 ppm; 4.59 A): 1 out of 4 assignments used, quality = 1.00: * HB3 CYS 73 + HA LEU 70 OK 100 100 100 100 3.5-4.2 1.8/2232=82, 2330=69...(17) HB3 TYR 72 - HA LEU 70 far 0 85 0 - 5.8-7.2 HB2 HIS 67 - HA LEU 70 far 0 81 0 - 7.2-8.2 HB3 PHE 89 - HA LEU 70 far 0 96 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 2234 from cnoeabs.peaks (4.22, 1.71, 41.52 ppm; 4.83 A): 2 out of 6 assignments used, quality = 1.00: * HA HIS 67 + HB2 LEU 70 OK 100 100 100 100 4.1-4.7 11089/3.2=81...(17) HA HIS 67 + HB3 LEU 70 OK 100 100 100 100 2.6-3.1 11089/3.2=81...(18) HA SER 94 - HB2 LEU 70 far 0 92 0 - 7.2-8.1 HB THR 25 - HB2 LEU 70 far 0 90 0 - 7.3-26.1 HA SER 94 - HB3 LEU 70 far 0 91 0 - 8.0-9.0 HB THR 25 - HB3 LEU 70 far 0 89 0 - 8.7-27.3 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 5 assignments used, quality = 1.00: * H LEU 70 + HB2 LEU 70 OK 100 100 100 100 3.4-3.5 3.2=100 H LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.1-2.2 3.2=100 H LEU 100 - HB3 LEU 70 far 0 77 0 - 7.7-8.6 H LEU 100 - HB2 LEU 70 far 0 78 0 - 8.5-9.2 H ASN 13 - HB2 LEU 70 far 0 60 0 - 9.7-32.4 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 7 assignments used, quality = 1.00: * HA LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.7-2.8 3.0=100 HA LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.9-3.0 3.0=100 HA3 GLY 75 - HB2 LEU 70 far 0 78 0 - 7.9-8.5 HA3 GLY 75 - HB3 LEU 70 far 0 77 0 - 9.0-9.5 HB2 SER 94 - HB2 LEU 70 far 0 81 0 - 9.0-10.6 HA ALA 46 - HB3 LEU 70 far 0 92 0 - 9.4-9.7 HB3 SER 33 - HB2 LEU 70 far 0 57 0 - 9.7-11.4 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 7 assignments used, quality = 1.00: * HG LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.5-2.7 3.0=100 HG LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.2-2.4 3.0=100 HG LEU 122 - HB3 LEU 70 far 0 98 0 - 7.9-11.3 HB2 LEU 122 - HB3 LEU 70 far 0 100 0 - 8.7-9.6 HG LEU 122 - HB2 LEU 70 far 0 99 0 - 9.3-12.5 HB2 LEU 122 - HB2 LEU 70 far 0 100 0 - 9.8-10.9 HG3 ARG 23 - HB2 LEU 70 far 0 93 0 - 10.0-27.7 Violated in 0 structures by 0.00 A. Peak 2240 from cnoeabs.peaks (0.82, 1.71, 41.52 ppm; 4.14 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 70 + HB2 LEU 70 OK 100 100 100 100 1.9-2.2 3.2=100 QD1 LEU 70 + HB3 LEU 70 OK 100 100 100 100 3.0-3.2 3.2=100 QD1 LEU 122 - HB3 LEU 70 far 0 95 0 - 6.0-8.3 QD2 LEU 49 - HB3 LEU 70 far 0 77 0 - 6.5-7.0 QD1 LEU 122 - HB2 LEU 70 far 0 96 0 - 7.2-9.4 QG2 ILE 129 - HB3 LEU 70 far 0 100 0 - 7.7-8.7 QG2 ILE 129 - HB2 LEU 70 far 0 100 0 - 7.7-8.6 QD2 LEU 49 - HB2 LEU 70 far 0 78 0 - 7.9-8.2 QD1 LEU 53 - HB3 LEU 70 far 0 70 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 2241 from cnoeabs.peaks (0.86, 1.71, 41.52 ppm; 4.00 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 70 + HB2 LEU 70 OK 100 100 100 100 3.1-3.2 3.2=100 QD2 LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.5-2.8 3.2=100 QD2 LEU 69 - HB3 LEU 70 far 0 94 0 - 6.0-6.4 QD2 LEU 69 - HB2 LEU 70 far 0 95 0 - 7.2-7.5 QD2 LEU 98 - HB2 LEU 70 far 0 83 0 - 7.6-10.6 QD2 LEU 98 - HB3 LEU 70 far 0 82 0 - 7.9-10.7 QD1 LEU 98 - HB2 LEU 70 far 0 99 0 - 8.9-10.8 QD1 LEU 98 - HB3 LEU 70 far 0 99 0 - 9.1-10.7 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 4 assignments used, quality = 1.00: * H ASP 71 + HB2 LEU 70 OK 100 100 100 100 2.8-3.0 4.3=100 H ASP 71 + HB3 LEU 70 OK 100 100 100 100 2.5-2.9 4.3=100 H ALA 15 - HB2 LEU 70 far 5 100 5 - 4.0-35.4 H ALA 15 - HB3 LEU 70 far 0 99 0 - 5.4-36.9 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 6 assignments used, quality = 1.00: * HA HIS 67 + HB3 LEU 70 OK 100 100 100 100 2.6-3.1 11089/3.2=81...(18) HA HIS 67 + HB2 LEU 70 OK 100 100 100 100 4.1-4.7 11089/3.2=81...(17) HA SER 94 - HB2 LEU 70 far 0 91 0 - 7.2-8.1 HB THR 25 - HB2 LEU 70 far 0 89 0 - 7.3-26.1 HA SER 94 - HB3 LEU 70 far 0 92 0 - 8.0-9.0 HB THR 25 - HB3 LEU 70 far 0 90 0 - 8.7-27.3 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 5 assignments used, quality = 1.00: * H LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.1-2.2 3.2=100 H LEU 70 + HB2 LEU 70 OK 100 100 100 100 3.4-3.5 3.2=100 H LEU 100 - HB3 LEU 70 far 0 78 0 - 7.7-8.6 H LEU 100 - HB2 LEU 70 far 0 77 0 - 8.5-9.2 H ASN 13 - HB2 LEU 70 far 0 59 0 - 9.7-32.4 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 7 assignments used, quality = 1.00: * HA LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.9-3.0 3.0=100 HA LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.7-2.8 3.0=100 HA3 GLY 75 - HB2 LEU 70 far 0 77 0 - 7.9-8.5 HA3 GLY 75 - HB3 LEU 70 far 0 78 0 - 9.0-9.5 HB2 SER 94 - HB2 LEU 70 far 0 80 0 - 9.0-10.6 HA ALA 46 - HB3 LEU 70 far 0 93 0 - 9.4-9.7 HB3 SER 33 - HB2 LEU 70 far 0 56 0 - 9.7-11.4 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 7 assignments used, quality = 1.00: * HG LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.2-2.4 3.0=100 HG LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.5-2.7 3.0=100 HG LEU 122 - HB3 LEU 70 far 0 99 0 - 7.9-11.3 HB2 LEU 122 - HB3 LEU 70 far 0 100 0 - 8.7-9.6 HG LEU 122 - HB2 LEU 70 far 0 98 0 - 9.3-12.5 HB2 LEU 122 - HB2 LEU 70 far 0 100 0 - 9.8-10.9 HG3 ARG 23 - HB2 LEU 70 far 0 92 0 - 10.0-27.7 Violated in 0 structures by 0.00 A. Peak 2249 from cnoeabs.peaks (0.82, 1.71, 41.52 ppm; 3.97 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 70 + HB3 LEU 70 OK 100 100 100 100 3.0-3.2 3.2=100 QD1 LEU 70 + HB2 LEU 70 OK 100 100 100 100 1.9-2.2 3.2=100 QD1 LEU 122 - HB3 LEU 70 far 0 96 0 - 6.0-8.3 QD2 LEU 49 - HB3 LEU 70 far 0 78 0 - 6.5-7.0 QD1 LEU 122 - HB2 LEU 70 far 0 95 0 - 7.2-9.4 QG2 ILE 129 - HB3 LEU 70 far 0 100 0 - 7.7-8.7 QG2 ILE 129 - HB2 LEU 70 far 0 100 0 - 7.7-8.6 QD2 LEU 49 - HB2 LEU 70 far 0 77 0 - 7.9-8.2 QD1 LEU 53 - HB3 LEU 70 far 0 71 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 2250 from cnoeabs.peaks (0.86, 1.71, 41.52 ppm; 4.04 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.5-2.8 3.2=100 QD2 LEU 70 + HB2 LEU 70 OK 100 100 100 100 3.1-3.2 3.2=100 QD2 LEU 69 - HB3 LEU 70 far 0 95 0 - 6.0-6.4 QD2 LEU 69 - HB2 LEU 70 far 0 94 0 - 7.2-7.5 QD2 LEU 98 - HB2 LEU 70 far 0 82 0 - 7.6-10.6 QD2 LEU 98 - HB3 LEU 70 far 0 83 0 - 7.9-10.7 QD1 LEU 98 - HB2 LEU 70 far 0 99 0 - 8.9-10.8 QD1 LEU 98 - HB3 LEU 70 far 0 99 0 - 9.1-10.7 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 4 assignments used, quality = 1.00: * H ASP 71 + HB3 LEU 70 OK 100 100 100 100 2.5-2.9 4.3=100 H ASP 71 + HB2 LEU 70 OK 100 100 100 100 2.8-3.0 4.3=100 H ALA 15 - HB2 LEU 70 far 5 99 5 - 4.0-35.4 H ALA 15 - HB3 LEU 70 far 0 100 0 - 5.4-36.9 Violated in 0 structures by 0.00 A. Peak 2252 from cnoeabs.peaks (8.46, 1.61, 27.00 ppm; 6.80 A): 4 out of 8 assignments used, quality = 1.00: * H LEU 70 + HG LEU 70 OK 100 100 100 100 3.4-4.1 5.0=100 H ASN 116 + HG LEU 119 OK 73 73 100 100 3.8-4.4 4.0/11584=88...(15) H LEU 100 + HG LEU 122 OK 72 72 100 100 4.0-5.4 4.5/10022=55...(21) H LEU 100 + HG LEU 70 OK 55 78 100 70 6.0-6.6 3.9/455=28, 4.9/11792=26...(7) H SER 9 - HG LEU 22 far 3 60 5 - 6.4-36.7 H LEU 70 - HG LEU 122 far 0 97 0 - 7.5-10.7 H LEU 100 - HG LEU 119 far 0 66 0 - 8.3-9.8 H ASN 116 - HG LEU 122 far 0 79 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 2253 from cnoeabs.peaks (3.88, 1.61, 27.00 ppm; 6.46 A): 3 out of 12 assignments used, quality = 1.00: * HA LEU 70 + HG LEU 70 OK 100 100 100 100 3.6-3.7 3.7=100 HA2 GLY 114 + HG LEU 119 OK 92 92 100 100 5.0-6.7 10163/2.1=100, ~10160=83...(9) HD2 PRO 117 + HG LEU 119 OK 56 66 85 100 6.6-7.2 4.8/11584=75...(9) HB3 SER 33 - HG3 ARG 23 far 2 39 5 - 4.7-20.4 HA3 GLY 75 - HG3 ARG 23 far 0 56 0 - 8.2-22.2 HB2 SER 94 - HG LEU 70 far 0 81 0 - 8.6-10.0 HA LEU 70 - HG LEU 122 far 0 97 0 - 8.6-11.7 HA ALA 46 - HG LEU 122 far 0 88 0 - 8.7-10.7 HB2 SER 60 - HG LEU 119 far 0 55 0 - 9.2-11.4 HA2 GLY 114 - HG LEU 122 far 0 97 0 - 9.3-12.8 HB3 SER 50 - HG LEU 122 far 0 95 0 - 9.4-11.4 HB3 SER 60 - HG LEU 119 far 0 55 0 - 9.6-11.2 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 8 assignments used, quality = 1.00: * HB2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.5-2.7 3.0=100 HB3 LEU 70 + HG LEU 70 OK 100 100 100 100 2.2-2.4 3.0=100 HG LEU 98 - HG LEU 70 far 0 100 0 - 7.8-10.1 HG LEU 98 - HG LEU 122 far 0 97 0 - 7.9-11.1 HB3 LEU 70 - HG LEU 122 far 0 97 0 - 7.9-11.3 HB2 LEU 70 - HG LEU 122 far 0 97 0 - 9.3-12.5 HG3 ARG 90 - HG LEU 70 far 0 81 0 - 9.4-12.9 HB2 LEU 70 - HG3 ARG 23 far 0 80 0 - 10.0-27.7 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 10 assignments used, quality = 1.00: * HB3 LEU 70 + HG LEU 70 OK 100 100 100 100 2.2-2.4 3.0=100 HB2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.5-2.7 3.0=100 HB2 LYS 31 - HG3 ARG 23 far 0 41 0 - 5.3-18.1 HB2 LYS 31 - HG LEU 22 far 0 46 0 - 7.0-21.8 HG LEU 98 - HG LEU 70 far 0 100 0 - 7.8-10.1 HG LEU 98 - HG LEU 122 far 0 96 0 - 7.9-11.1 HB3 LEU 70 - HG LEU 122 far 0 97 0 - 7.9-11.3 HB2 LEU 70 - HG LEU 122 far 0 97 0 - 9.3-12.5 HG3 ARG 90 - HG LEU 70 far 0 87 0 - 9.4-12.9 HB2 LEU 70 - HG3 ARG 23 far 0 80 0 - 10.0-27.7 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): 4 out of 19 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 QD2 LEU 49 - HG LEU 122 far 11 72 15 - 2.9-4.5 QD1 LEU 53 - HG LEU 122 far 0 65 0 - 4.2-5.8 QD2 LEU 119 - HG LEU 122 far 0 81 0 - 5.4-7.1 QD1 LEU 122 - HG LEU 70 far 0 96 0 - 5.5-7.8 QD2 LEU 22 - HG3 ARG 23 far 0 54 0 - 5.5-8.3 QD1 LEU 122 - HG LEU 119 far 0 84 0 - 5.6-8.1 QD1 LEU 53 - HG LEU 119 far 0 60 0 - 5.7-7.3 QD2 LEU 49 - HG LEU 70 far 0 78 0 - 6.6-7.4 QD1 LEU 70 - HG LEU 122 far 0 97 0 - 7.4-9.6 QD2 LEU 49 - HG LEU 119 far 0 66 0 - 7.6-8.0 QG2 ILE 129 - HG LEU 70 far 0 100 0 - 8.0-8.8 QD1 LEU 70 - HG3 ARG 23 far 0 80 0 - 8.3-24.0 QG2 ILE 80 - HG3 ARG 23 far 0 79 0 - 9.1-23.9 QG2 ILE 129 - HG LEU 122 far 0 97 0 - 9.2-10.8 QD1 LEU 53 - HG LEU 70 far 0 71 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 2258 from cnoeabs.peaks (0.86, 1.61, 27.00 ppm; 4.64 A): 2 out of 16 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 far 10 97 10 - 5.2-7.6 QD2 LEU 123 - HG LEU 122 far 0 58 0 - 5.4-8.4 QD2 LEU 22 - HG3 ARG 23 far 0 69 0 - 5.5-8.3 QG2 ILE 32 - HG3 ARG 23 far 0 80 0 - 5.8-14.6 QD2 LEU 98 - HG LEU 70 far 0 83 0 - 6.0-8.9 QG2 VAL 57 - HG LEU 119 far 0 90 0 - 6.0-7.2 QD2 LEU 69 - HG LEU 122 far 0 89 0 - 6.7-8.7 QD2 LEU 123 - HG LEU 119 far 0 52 0 - 7.1-8.0 QD2 LEU 69 - HG LEU 70 far 0 95 0 - 7.1-7.7 QD1 LEU 98 - HG LEU 70 far 0 99 0 - 7.2-8.9 QD1 LEU 98 - HG LEU 122 far 0 96 0 - 7.7-10.0 QD2 LEU 98 - HG LEU 122 far 0 77 0 - 8.0-9.8 QG2 VAL 57 - HG LEU 122 far 0 96 0 - 8.3-9.6 QG2 ILE 32 - HG LEU 22 far 0 87 0 - 8.7-16.6 Violated in 0 structures by 0.00 A. Peak 2259 from cnoeabs.peaks (8.14, 1.61, 27.00 ppm; 5.04 A increased from 4.48 A): 3 out of 8 assignments used, quality = 1.00: * H ASP 71 + HG LEU 70 OK 100 100 100 100 4.7-5.0 6965/2.1=82, 2267/2.1=80...(17) H LEU 22 + HG LEU 22 OK 81 81 100 100 3.9-5.1 5.1=95, 6190/3.0=92...(14) H ASN 121 + HG LEU 122 OK 64 85 80 95 4.3-6.8 3.8/10290=51, ~10323=33...(12) H LEU 22 - HG3 ARG 23 poor 14 74 45 41 3.1-7.4 4.6/6198=27, 2.9/453=8...(6) H ALA 15 - HG LEU 70 far 5 100 5 - 5.5-37.3 H ASN 121 - HG LEU 119 far 0 78 0 - 5.6-5.9 H ILE 32 - HG3 ARG 23 far 0 80 0 - 6.8-18.1 H ASP 71 - HG3 ARG 23 far 0 80 0 - 9.8-27.3 Violated in 0 structures by 0.00 A. Peak 2260 from cnoeabs.peaks (8.46, 0.82, 25.52 ppm; 3.71 A): 2 out of 9 assignments used, quality = 1.00: * H LEU 70 + QD1 LEU 70 OK 100 100 100 100 4.1-4.3 2268/2.1=73, 4.3=62...(22) H LEU 100 + QD1 LEU 122 OK 37 41 95 95 2.0-5.1 4.9/9487=37, 10026=27...(24) H LEU 70 - QD1 LEU 122 far 0 61 0 - 5.6-7.4 H LEU 100 - QD1 LEU 70 far 0 78 0 - 6.0-6.5 H ASP 47 - QD1 LEU 122 far 0 58 0 - 8.5-11.0 H ASN 116 - QD1 LEU 122 far 0 46 0 - 9.0-11.0 H ALA 12 - QD1 LEU 70 far 0 81 0 - 9.5-28.0 H ASN 13 - QD1 LEU 70 far 0 60 0 - 9.6-27.5 H SER 9 - QD1 LEU 70 far 0 76 0 - 9.8-35.0 Violated in 1 structures by 0.02 A. Peak 2261 from cnoeabs.peaks (3.88, 0.82, 25.52 ppm; 3.72 A): 1 out of 13 assignments used, quality = 1.00: * HA LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.4-3.0 2228=96, 2269/2.1=83...(20) HB2 SER 94 - QD1 LEU 70 far 0 81 0 - 5.4-6.7 HA LEU 70 - QD1 LEU 122 far 0 61 0 - 6.3-8.6 HB3 SER 50 - QD1 LEU 122 far 0 59 0 - 6.3-9.4 HA ALA 46 - QD1 LEU 122 far 0 52 0 - 6.4-8.4 HA3 GLY 75 - QD1 LEU 70 far 0 78 0 - 7.3-8.2 HB3 SER 60 - QD1 LEU 122 far 0 33 0 - 8.3-11.8 HB2 SER 94 - QD1 LEU 122 far 0 43 0 - 8.5-11.4 HB2 SER 60 - QD1 LEU 122 far 0 33 0 - 8.6-12.2 HA2 GLY 114 - QD1 LEU 122 far 0 61 0 - 8.7-11.4 HA ALA 46 - QD1 LEU 70 far 0 93 0 - 9.3-9.7 HB3 SER 33 - QD1 LEU 70 far 0 57 0 - 9.5-10.9 HD2 PRO 117 - QD1 LEU 122 far 0 41 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 2262 from cnoeabs.peaks (1.71, 0.82, 25.52 ppm; 3.32 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 70 + QD1 LEU 70 OK 100 100 100 100 1.9-2.2 3.2=100 HB3 LEU 70 + QD1 LEU 70 OK 100 100 100 100 3.0-3.2 3.2=100 HG LEU 98 - QD1 LEU 122 far 0 61 0 - 4.8-10.2 HG3 ARG 90 - QD1 LEU 70 far 0 81 0 - 5.9-9.1 HG LEU 98 - QD1 LEU 70 far 0 100 0 - 6.0-7.6 HB3 LEU 70 - QD1 LEU 122 far 0 61 0 - 6.0-8.3 HB2 LEU 70 - QD1 LEU 122 far 0 61 0 - 7.2-9.4 HG LEU 48 - QD1 LEU 122 far 0 61 0 - 9.3-12.2 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 8 assignments used, quality = 1.00: * HB3 LEU 70 + QD1 LEU 70 OK 100 100 100 100 3.0-3.2 3.2=100 HB2 LEU 70 + QD1 LEU 70 OK 100 100 100 100 1.9-2.2 3.2=100 HG LEU 98 - QD1 LEU 122 far 0 60 0 - 4.8-10.2 HG3 ARG 90 - QD1 LEU 70 far 0 87 0 - 5.9-9.1 HG LEU 98 - QD1 LEU 70 far 0 100 0 - 6.0-7.6 HB3 LEU 70 - QD1 LEU 122 far 0 61 0 - 6.0-8.3 HB2 LEU 70 - QD1 LEU 122 far 0 61 0 - 7.2-9.4 HG LEU 48 - QD1 LEU 122 far 0 61 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 2264 from cnoeabs.peaks (1.61, 0.82, 25.52 ppm; 2.98 A): 3 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 95 1.9-2.8 3.1=84, 3.5/7732=12...(19) HG LEU 70 - QD1 LEU 122 far 0 61 0 - 5.5-7.8 HG LEU 119 - QD1 LEU 122 far 0 57 0 - 5.6-8.1 HB2 LEU 122 - QD1 LEU 70 far 0 100 0 - 7.3-8.7 HG LEU 122 - QD1 LEU 70 far 0 99 0 - 7.4-9.6 HG3 ARG 23 - QD1 LEU 70 far 0 93 0 - 8.3-24.0 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 11 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 far 0 61 0 - 3.5-5.6 QD2 LEU 123 - QD1 LEU 122 far 0 32 0 - 4.4-7.2 QD2 LEU 98 - QD1 LEU 70 far 0 83 0 - 4.5-7.0 QD1 LEU 98 - QD1 LEU 122 far 0 60 0 - 5.0-9.2 QD2 LEU 69 - QD1 LEU 122 far 0 54 0 - 5.1-6.8 QD2 LEU 98 - QD1 LEU 122 far 0 44 0 - 5.4-8.3 QD1 LEU 98 - QD1 LEU 70 far 0 99 0 - 5.7-7.4 QG2 VAL 57 - QD1 LEU 122 far 0 60 0 - 6.5-9.2 QD2 LEU 69 - QD1 LEU 70 far 0 95 0 - 6.8-7.1 QD2 LEU 22 - QD1 LEU 70 far 0 92 0 - 9.1-21.9 Violated in 0 structures by 0.00 A. Peak 2267 from cnoeabs.peaks (8.14, 0.82, 25.52 ppm; 4.86 A): 1 out of 5 assignments used, quality = 1.00: * H ASP 71 + QD1 LEU 70 OK 100 100 100 100 4.3-4.5 6964=88, 3.6/2261=78...(22) H ASN 121 - QD1 LEU 122 far 7 50 15 - 4.5-6.5 H ALA 15 - QD1 LEU 70 far 5 100 5 - 4.0-30.1 H ASP 71 - QD1 LEU 122 far 0 61 0 - 7.9-9.7 H GLU 91 - QD1 LEU 70 far 0 96 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 2268 from cnoeabs.peaks (8.46, 0.86, 25.01 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.3-2.8 2.9/2269=78, 6949/2.1=59...(21) H LEU 100 - QD2 LEU 70 far 0 78 0 - 4.7-5.4 H ASP 47 - QD2 LEU 70 far 0 99 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 2269 from cnoeabs.peaks (3.88, 0.86, 25.01 ppm; 3.25 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 70 + QD2 LEU 70 OK 100 100 100 100 1.8-2.1 2229=83, 2261/2.1=55...(18) HB2 SER 94 - QD2 LEU 70 far 0 81 0 - 6.5-7.0 HA ALA 46 - QD2 LEU 70 far 0 93 0 - 6.9-7.3 HA3 GLY 75 - QD2 LEU 70 far 0 78 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 2270 from cnoeabs.peaks (1.71, 0.86, 25.01 ppm; 3.38 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 70 + QD2 LEU 70 OK 100 100 100 100 3.1-3.2 3.2=100 HB3 LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.5-2.8 3.2=100 HG LEU 98 - QD2 LEU 70 far 0 100 0 - 6.4-8.0 HG3 ARG 90 - QD2 LEU 70 far 0 81 0 - 6.8-9.6 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 4 assignments used, quality = 1.00: * HB3 LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.5-2.8 3.2=100 HB2 LEU 70 + QD2 LEU 70 OK 100 100 100 100 3.1-3.2 3.2=100 HG LEU 98 - QD2 LEU 70 far 0 100 0 - 6.4-8.0 HG3 ARG 90 - QD2 LEU 70 far 0 87 0 - 6.8-9.6 Violated in 0 structures by 0.00 A. Peak 2272 from cnoeabs.peaks (1.61, 0.86, 25.01 ppm; 3.37 A): 1 out of 3 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 far 0 99 0 - 5.2-7.6 HB2 LEU 122 - QD2 LEU 70 far 0 100 0 - 5.2-6.4 Violated in 0 structures by 0.00 A. Peak 2273 from cnoeabs.peaks (0.82, 0.86, 25.01 ppm; 2.50 A): 1 out of 7 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 far 0 96 0 - 3.5-5.6 QD2 LEU 49 - QD2 LEU 70 far 0 78 0 - 4.6-4.9 QG2 ILE 129 - QD2 LEU 70 far 0 100 0 - 4.9-5.7 QD1 LEU 53 - QD2 LEU 70 far 0 71 0 - 7.2-8.6 QG1 VAL 133 - QD2 LEU 70 far 0 87 0 - 9.9-10.4 QD2 LEU 119 - QD2 LEU 70 far 0 87 0 - 9.9-10.6 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 3 assignments used, quality = 1.00: * H ASP 71 + QD2 LEU 70 OK 100 100 100 100 4.2-4.4 6965=100, 3.6/2269=87...(20) H ALA 15 - QD2 LEU 70 far 0 100 0 - 6.2-32.4 H GLU 91 - QD2 LEU 70 far 0 96 0 - 9.0-9.6 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 2.7-2.8 2.8=100 H ALA 15 - HA ASP 71 far 0 100 0 - 4.5-33.1 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 2.4-2.8 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 2 assignments used, quality = 1.00: * HB3 ASP 71 + HA ASP 71 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 ASN 13 - HA ASP 71 far 0 100 0 - 7.0-32.8 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 3.5-3.6 3.6=100 H LEU 69 - HA ASP 71 far 0 76 0 - 7.1-7.3 H GLY 17 - HA ASP 71 far 0 100 0 - 8.8-33.5 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 3 assignments used, quality = 1.00: * H SER 74 + HA ASP 71 OK 100 100 100 100 4.1-4.4 7004=100, 6986/3.6=41...(7) H ALA 34 - HA ASP 71 far 0 71 0 - 7.7-9.9 H ASN 13 - HA ASP 71 far 0 57 0 - 8.4-32.7 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 2 assignments used, quality = 0.70: * HB2 SER 74 + HA ASP 71 OK 52 100 60 87 3.4-5.8 2341=56, 3.9/7004=50...(4) HB3 SER 74 + HA ASP 71 OK 39 100 45 86 3.3-5.9 3.9/7004=50, 1.8/2341=47...(4) 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 2 assignments used, quality = 0.70: HB2 SER 74 + HA ASP 71 OK 52 100 60 87 3.4-5.8 2341=56, 3.9/7004=50...(4) * HB3 SER 74 + HA ASP 71 OK 39 100 45 86 3.3-5.9 3.9/7004=50, 1.8/2341=47...(4) 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 3 assignments used, quality = 1.00: * HA GLN 68 + HB2 ASP 71 OK 100 100 100 100 3.8-4.4 2128=100, 2129/1.8=91...(13) HA ILE 37 - HB2 ASP 71 far 0 65 0 - 7.5-10.3 HA THR 65 - HB2 ASP 71 far 0 76 0 - 9.3-10.0 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 2.4-3.5 6967=100, 6968/1.8=83...(10) H ALA 15 - HB2 ASP 71 far 0 100 0 - 5.3-33.5 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 2.4-2.8 3.0=100 HA SER 33 - HB2 ASP 71 far 0 85 0 - 7.1-10.6 HA MET 11 - HB2 ASP 71 far 0 99 0 - 9.9-37.4 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 - 6.1-33.4 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 2 assignments used, quality = 1.00: * H TYR 72 + HB2 ASP 71 OK 100 100 100 100 3.1-4.0 6978=100, 6979/1.8=88...(13) H LEU 69 - HB2 ASP 71 far 0 76 0 - 6.3-6.8 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 3 assignments used, quality = 1.00: * HA GLN 68 + HB3 ASP 71 OK 100 100 100 100 2.8-3.5 2129=100, 2128/1.8=74...(13) HA ILE 37 - HB3 ASP 71 far 0 65 0 - 8.0-9.5 HA THR 65 - HB3 ASP 71 far 0 76 0 - 8.3-9.0 Violated in 0 structures by 0.00 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 2.1-2.6 6968=100, 6967/1.8=76...(14) H ALA 15 - HB3 ASP 71 far 0 100 0 - 6.8-34.8 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 2 assignments used, quality = 1.00: * HA ASP 71 + HB3 ASP 71 OK 100 100 100 100 2.9-3.0 3.0=100 HA SER 33 - HB3 ASP 71 far 0 85 0 - 8.7-10.0 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): 1 out of 2 assignments used, quality = 1.00: * H TYR 72 + HB3 ASP 71 OK 100 100 100 100 2.5-3.2 6979=100, 6978/1.8=82...(14) H LEU 69 - HB3 ASP 71 far 0 76 0 - 5.3-5.7 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 2.9-2.9 2.9=100 H LEU 69 - HA TYR 72 far 0 76 0 - 7.5-7.8 H GLU 44 - HA TYR 72 far 0 97 0 - 9.6-10.3 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 2.4-3.0 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 2.4-3.0 3.0=100 HB3 CYS 73 - HA TYR 72 far 0 85 0 - 6.5-6.6 HB2 HIS 67 - HA TYR 72 far 0 100 0 - 9.6-11.6 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 1 assignment used, quality = 1.00: * QD TYR 72 + HA TYR 72 OK 100 100 100 100 2.0-2.6 3.4=100 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): 2 out of 3 assignments used, quality = 1.00: * HA LEU 69 + HB2 TYR 72 OK 100 100 100 100 2.6-4.9 2177=100, 2178/1.8=100...(19) HA TYR 76 + HB2 TYR 72 OK 84 85 100 99 5.5-7.3 10833/9517=76...(7) HA2 GLY 75 - HB2 TYR 72 far 5 95 5 - 7.2-8.1 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 4 assignments used, quality = 1.00: * H TYR 72 + HB2 TYR 72 OK 100 100 100 100 2.3-3.6 3.8=100 H LEU 69 + HB2 TYR 72 OK 53 76 70 100 5.0-7.3 2.9/2177=59, ~2178=53...(16) H GLU 44 - HB2 TYR 72 far 0 97 0 - 7.4-8.2 H LEU 49 - HB2 TYR 72 far 0 85 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 2305 from cnoeabs.peaks (4.55, 3.02, 37.59 ppm; 5.06 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 72 + HB2 TYR 72 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 38 - HB2 TYR 72 far 0 97 0 - 6.7-9.2 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): 1 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 far 0 85 0 - 5.7-7.0 HB2 HIS 67 - HB2 TYR 72 far 0 100 0 - 8.8-11.8 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 1 assignment used, quality = 1.00: * QD TYR 72 + HB2 TYR 72 OK 100 100 100 100 2.3-2.6 2.7=100 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 2.4-4.1 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 3 assignments used, quality = 1.00: * HA LEU 69 + HB3 TYR 72 OK 100 100 100 100 3.2-4.8 2178=100, 11028/2.7=100...(21) HA TYR 76 + HB3 TYR 72 OK 84 85 100 99 5.2-6.7 10833/10825=78...(7) HA2 GLY 75 + HB3 TYR 72 OK 21 95 50 44 7.0-7.7 11140/3.0=25, 9531/2.7=22 Violated in 0 structures by 0.00 A. Peak 2312 from cnoeabs.peaks (8.32, 3.34, 37.59 ppm; 5.32 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 72 + HB3 TYR 72 OK 100 100 100 100 2.7-3.6 3.8=100 H LEU 69 - HB3 TYR 72 far 4 76 5 - 5.8-7.4 H GLU 44 - HB3 TYR 72 far 0 97 0 - 7.3-7.9 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 2 assignments used, quality = 1.00: * HA TYR 72 + HB3 TYR 72 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 38 - HB3 TYR 72 far 0 97 0 - 6.9-8.3 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 1 assignment used, quality = 1.00: * QD TYR 72 + HB3 TYR 72 OK 100 100 100 100 2.3-2.7 2.7=100 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 3.0-4.1 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 4 assignments used, quality = 1.00: * HB2 CYS 73 + HA CYS 73 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 TYR 76 + HA CYS 73 OK 95 97 100 98 2.2-4.3 2.6/11146=51...(14) HB3 ASP 78 - HA CYS 73 far 0 97 0 - 8.6-9.3 HB2 CYS 125 - HA CYS 73 far 0 96 0 - 9.2-12.1 Violated in 0 structures by 0.00 A. Peak 2322 from cnoeabs.peaks (3.32, 4.38, 64.37 ppm; 5.63 A): 2 out of 4 assignments used, quality = 1.00: * HB3 CYS 73 + HA CYS 73 OK 100 100 100 100 2.5-2.6 3.0=100 HB3 TYR 72 + HA CYS 73 OK 84 85 100 98 4.1-4.8 3.8/9536=67...(9) HB3 PHE 89 - HA CYS 73 far 5 96 5 - 6.2-6.6 HB2 PHE 89 - HA CYS 73 far 0 99 0 - 6.9-7.1 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 2 assignments used, quality = 1.00: * H SER 74 + HA CYS 73 OK 100 100 100 100 3.6-3.6 3.6=100 H VAL 93 - HA CYS 73 far 0 63 0 - 6.8-7.7 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 2.3-2.4 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 1 assignment used, quality = 1.00: * HA CYS 73 + HB2 CYS 73 OK 100 100 100 100 3.0-3.0 3.0=100 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): 1 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 far 13 85 15 - 5.0-6.3 HB3 PHE 89 - HB2 CYS 73 far 0 96 0 - 7.7-8.6 HB2 PHE 89 - HB2 CYS 73 far 0 99 0 - 8.4-9.3 HB2 HIS 67 - HB2 CYS 73 far 0 81 0 - 9.1-10.3 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 5 assignments used, quality = 1.00: * HA LEU 70 + HB3 CYS 73 OK 100 100 100 100 3.5-4.2 2233=100, 2232/1.8=100...(17) HA3 GLY 75 + HB3 CYS 73 OK 66 78 95 89 7.2-7.4 ~9539=61, 7003/7010=39...(5) HB2 SER 94 - HB3 CYS 73 poor 9 81 40 28 6.9-7.8 11420/9579=16, 11437/9497=12 HA LYS 86 - HB3 CYS 73 far 0 99 0 - 7.9-8.7 HA ALA 46 - HB3 CYS 73 far 0 93 0 - 8.4-9.2 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 3.5-3.6 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 2 assignments used, quality = 1.00: * HA CYS 73 + HB3 CYS 73 OK 100 100 100 100 2.5-2.6 3.0=100 HA ASP 78 - HB3 CYS 73 far 0 100 0 - 9.3-10.3 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 4 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 37 97 40 97 4.6-6.7 ~11160=38, ~11137=38...(16) HB2 CYS 125 - HB3 CYS 73 far 0 96 0 - 7.9-10.1 HB3 ASP 78 - HB3 CYS 73 far 0 97 0 - 9.3-10.0 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 2 assignments used, quality = 1.00: * H SER 74 + HB3 CYS 73 OK 100 100 100 100 3.0-3.3 4.4=100 H VAL 93 + HB3 CYS 73 OK 51 63 100 81 5.1-5.5 3.9/9581=63, 3.9/9579=38...(4) 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 8 assignments used, quality = 1.00: * H SER 74 + HA SER 74 OK 100 100 100 100 2.8-2.9 2.9=100 H GLN 27 - HA THR 25 far 4 80 5 - 3.9-6.7 H ASP 35 - HA THR 25 far 0 76 0 - 5.1-13.2 H ALA 34 - HA THR 25 far 0 66 0 - 7.1-12.4 H VAL 93 - HA SER 74 far 0 63 0 - 7.6-8.2 H MET 11 - HA SER 74 far 0 99 0 - 8.7-36.3 H SER 74 - HA THR 25 far 0 98 0 - 8.9-20.2 H ALA 34 - HA SER 74 far 0 71 0 - 9.3-11.2 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 5 assignments used, quality = 1.00: * HB2 SER 74 + HA SER 74 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 SER 74 + HA SER 74 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 74 - HA THR 25 far 0 98 0 - 6.9-20.4 HA PHE 89 - HA SER 74 far 0 87 0 - 8.1-9.3 HB2 SER 74 - HA THR 25 far 0 98 0 - 8.1-20.4 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 5 assignments used, quality = 1.00: * HB3 SER 74 + HA SER 74 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 74 + HA SER 74 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 SER 74 - HA THR 25 far 0 98 0 - 6.9-20.4 HA PHE 89 - HA SER 74 far 0 89 0 - 8.1-9.3 HB2 SER 74 - HA THR 25 far 0 98 0 - 8.1-20.4 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 H GLY 75 - HA THR 25 far 0 98 0 - 8.6-17.5 Violated in 0 structures by 0.00 A. Peak 2341 from cnoeabs.peaks (4.42, 4.07, 62.61 ppm; 5.71 A increased from 4.57 A): 2 out of 3 assignments used, quality = 1.00: * HA ASP 71 + HB2 SER 74 OK 96 100 100 96 3.4-5.8 7004/3.9=81, 2282=57...(4) HA ASP 71 + HB3 SER 74 OK 96 100 100 96 3.3-5.9 7004/3.9=81, 2282/1.8=57...(4) HA MET 11 - HB3 SER 74 far 0 99 0 - 8.8-33.1 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 2.1-3.3 3.9=100 H SER 74 + HB3 SER 74 OK 100 100 100 100 2.1-3.6 3.9=100 H ALA 34 - HB3 SER 74 far 0 71 0 - 8.0-10.4 H ALA 34 - HB2 SER 74 far 0 71 0 - 8.2-11.8 H VAL 93 - HB2 SER 74 far 0 63 0 - 8.2-10.2 H MET 11 - HB3 SER 74 far 0 99 0 - 8.6-35.3 H VAL 93 - HB3 SER 74 far 0 63 0 - 8.8-10.2 H ASN 13 - HB3 SER 74 far 0 57 0 - 9.6-30.4 Violated in 0 structures by 0.00 A. Peak 2343 from cnoeabs.peaks (4.29, 4.07, 62.61 ppm; 3.66 A): 2 out of 23 assignments used, quality = 1.00: * HA SER 74 + HB2 SER 74 OK 100 100 100 100 2.2-3.0 3.0=100 HA SER 74 + HB3 SER 74 OK 100 100 100 100 2.3-3.0 3.0=100 HA2 GLY 75 - HB2 SER 74 poor 13 65 20 - 4.2-5.7 HA ALA 15 - HB3 SER 74 far 5 99 5 - 3.2-35.3 HA ALA 15 - HB2 SER 74 far 5 99 5 - 4.2-35.5 HA ALA 16 - HB2 SER 74 far 5 92 5 - 3.6-35.7 HA2 GLY 75 - HB3 SER 74 far 3 65 5 - 4.1-5.4 HA ALA 16 - HB3 SER 74 far 0 92 0 - 4.5-35.5 HA ALA 12 - HB3 SER 74 far 0 99 0 - 6.9-32.1 HA THR 25 - HB3 SER 74 far 0 100 0 - 6.9-20.4 HA LYS 19 - HB3 SER 74 far 0 73 0 - 7.1-31.7 HA ALA 12 - HB2 SER 74 far 0 99 0 - 7.4-30.7 HA TYR 76 - HB2 SER 74 far 0 81 0 - 7.7-8.7 HA TYR 76 - HB3 SER 74 far 0 80 0 - 7.8-8.6 HA THR 18 - HB2 SER 74 far 0 100 0 - 8.0-30.8 HA THR 25 - HB2 SER 74 far 0 100 0 - 8.1-20.4 HA ALA 21 - HB2 SER 74 far 0 100 0 - 8.5-26.7 HA LYS 19 - HB2 SER 74 far 0 73 0 - 8.6-31.7 HA ARG 23 - HB3 SER 74 far 0 100 0 - 8.8-22.9 HA ALA 21 - HB3 SER 74 far 0 100 0 - 9.2-26.5 HA THR 18 - HB3 SER 74 far 0 100 0 - 9.4-30.6 HA ARG 23 - HB2 SER 74 far 0 100 0 - 9.6-22.3 HA LYS 26 - HB3 SER 74 far 0 78 0 - 10.0-18.9 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 3.0-4.4 4.6=100 H GLY 75 + HB3 SER 74 OK 100 100 100 100 3.1-4.4 4.6=100 Violated in 0 structures by 0.00 A. Peak 2347 from cnoeabs.peaks (4.42, 4.07, 62.61 ppm; 5.71 A increased from 4.57 A): 2 out of 3 assignments used, quality = 1.00: HA ASP 71 + HB2 SER 74 OK 96 100 100 96 3.4-5.8 7004/3.9=81, 2283=57...(4) * HA ASP 71 + HB3 SER 74 OK 96 100 100 96 3.3-5.9 7004/3.9=81, 2282/1.8=57...(4) HA MET 11 - HB3 SER 74 far 0 99 0 - 8.8-33.1 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 2.1-3.6 3.9=100 H SER 74 + HB2 SER 74 OK 100 100 100 100 2.1-3.3 3.9=100 H ALA 34 - HB3 SER 74 far 0 71 0 - 8.0-10.4 H ALA 34 - HB2 SER 74 far 0 71 0 - 8.2-11.8 H VAL 93 - HB2 SER 74 far 0 63 0 - 8.2-10.2 H MET 11 - HB3 SER 74 far 0 99 0 - 8.6-35.3 H VAL 93 - HB3 SER 74 far 0 63 0 - 8.8-10.2 H ASN 13 - HB3 SER 74 far 0 57 0 - 9.6-30.4 Violated in 0 structures by 0.00 A. Peak 2349 from cnoeabs.peaks (4.29, 4.07, 62.61 ppm; 3.66 A): 2 out of 23 assignments used, quality = 1.00: * HA SER 74 + HB3 SER 74 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 74 + HB2 SER 74 OK 100 100 100 100 2.2-3.0 3.0=100 HA2 GLY 75 - HB2 SER 74 poor 13 65 20 - 4.2-5.7 HA ALA 15 - HB3 SER 74 far 5 99 5 - 3.2-35.3 HA ALA 15 - HB2 SER 74 far 5 99 5 - 4.2-35.5 HA ALA 16 - HB2 SER 74 far 5 92 5 - 3.6-35.7 HA2 GLY 75 - HB3 SER 74 far 3 65 5 - 4.1-5.4 HA ALA 16 - HB3 SER 74 far 0 92 0 - 4.5-35.5 HA ALA 12 - HB3 SER 74 far 0 99 0 - 6.9-32.1 HA THR 25 - HB3 SER 74 far 0 100 0 - 6.9-20.4 HA LYS 19 - HB3 SER 74 far 0 73 0 - 7.1-31.7 HA ALA 12 - HB2 SER 74 far 0 99 0 - 7.4-30.7 HA TYR 76 - HB2 SER 74 far 0 80 0 - 7.7-8.7 HA TYR 76 - HB3 SER 74 far 0 81 0 - 7.8-8.6 HA THR 18 - HB2 SER 74 far 0 100 0 - 8.0-30.8 HA THR 25 - HB2 SER 74 far 0 100 0 - 8.1-20.4 HA ALA 21 - HB2 SER 74 far 0 100 0 - 8.5-26.7 HA LYS 19 - HB2 SER 74 far 0 73 0 - 8.6-31.7 HA ARG 23 - HB3 SER 74 far 0 100 0 - 8.8-22.9 HA ALA 21 - HB3 SER 74 far 0 100 0 - 9.2-26.5 HA THR 18 - HB3 SER 74 far 0 100 0 - 9.4-30.6 HA ARG 23 - HB2 SER 74 far 0 100 0 - 9.6-22.3 HA LYS 26 - HB3 SER 74 far 0 78 0 - 10.0-18.9 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 3.1-4.4 4.6=100 H GLY 75 + HB2 SER 74 OK 100 100 100 100 3.0-4.4 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 2.9-2.9 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 0 99 0 - 6.7-8.5 HA LEU 70 - HA2 GLY 75 far 0 78 0 - 8.3-8.6 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 4 assignments used, quality = 1.00: * H TYR 76 + HA2 GLY 75 OK 100 100 100 100 3.4-3.5 3.5=100 H CYS 79 - HA2 GLY 75 far 0 100 0 - 5.5-5.8 H ALA 16 - HA2 GLY 75 far 0 95 0 - 6.6-34.2 H VAL 20 - HA2 GLY 75 far 0 83 0 - 8.8-27.8 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 2.3-2.4 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): 1 out of 6 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 far 0 99 0 - 4.3-4.4 HA SER 74 - HA3 GLY 75 far 0 65 0 - 5.2-5.3 HA THR 25 - HA3 GLY 75 far 0 65 0 - 8.3-15.5 HA LEU 69 - HA3 GLY 75 far 0 95 0 - 8.6-9.1 HA ALA 21 - HA3 GLY 75 far 0 63 0 - 9.8-25.1 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): 1 out of 3 assignments used, quality = 1.00: * H TYR 76 + HA3 GLY 75 OK 100 100 100 100 2.9-3.1 3.5=100 H CYS 79 - HA3 GLY 75 far 0 100 0 - 6.2-6.5 H ALA 16 - HA3 GLY 75 far 0 95 0 - 7.2-34.5 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 2.9-2.9 3.0=100 H CYS 79 + HA TYR 76 OK 95 100 100 95 3.4-3.5 11162=57, 7035/3.6=29...(11) 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): 1 out of 4 assignments used, quality = 1.00: * HB2 TYR 76 + HA TYR 76 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ASP 78 - HA TYR 76 far 0 81 0 - 6.4-6.7 HB2 CYS 73 - HA TYR 76 far 0 97 0 - 7.6-8.3 HB3 ASP 35 - HA TYR 76 far 0 98 0 - 8.4-10.3 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): 1 out of 2 assignments used, quality = 1.00: * QD TYR 76 + HA TYR 76 OK 100 100 100 100 2.6-3.1 3.1=100 QE TYR 76 - HA TYR 76 poor 11 57 20 - 4.6-4.7 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 4.6-4.7 4.7=100 QD TYR 76 + HA TYR 76 OK 57 57 100 100 2.6-3.1 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 3.5-3.5 3.6=100 H GLN 82 - HA TYR 76 far 0 95 0 - 9.0-11.0 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 2.5-2.7 3.8=100 H SER 130 + HB2 ASP 131 OK 72 74 100 98 4.6-4.9 7891/7903=67...(13) H CYS 79 + HB2 TYR 76 OK 56 100 60 94 5.1-5.5 11162/3.0=59...(9) H SER 130 - HB2 TYR 76 far 0 99 0 - 8.9-10.2 H CYS 125 - HB2 ASP 131 far 0 78 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 2369 from cnoeabs.peaks (4.31, 2.76, 40.72 ppm; 3.95 A): 2 out of 7 assignments used, quality = 1.00: * HA TYR 76 + HB2 TYR 76 OK 100 100 100 100 2.5-3.0 3.0=100 HA ASP 131 + HB2 ASP 131 OK 77 77 100 100 2.6-2.7 3.0=100 HA2 GLY 75 - HB2 TYR 76 far 0 99 0 - 5.7-5.9 HA SER 74 - HB2 TYR 76 far 0 81 0 - 5.8-6.9 HA LEU 69 - HB2 TYR 76 far 0 85 0 - 7.1-7.6 HA ALA 15 - HB2 TYR 76 far 0 65 0 - 9.9-39.9 HA PRO 81 - HB2 TYR 76 far 0 71 0 - 10.0-10.5 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 8 assignments used, quality = 1.00: * HB3 TYR 76 + HB2 TYR 76 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 8 - HB2 ASP 131 far 4 77 5 - 5.2-56.0 HB2 HIS 6 - HB2 ASP 131 far 2 48 5 - 5.3-61.7 HB3 HIS 7 - HB2 ASP 131 far 0 52 0 - 6.0-58.3 HB2 HIS 7 - HB2 ASP 131 far 0 61 0 - 6.2-58.6 HB2 HIS 4 - HB2 ASP 131 far 0 50 0 - 8.4-68.4 HB3 HIS 3 - HB2 ASP 131 far 0 52 0 - 9.5-72.6 HB3 CYS 45 - HB2 TYR 76 far 0 100 0 - 9.7-10.4 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 2.3-2.5 2.6=100 QE TYR 76 + HB2 TYR 76 OK 57 57 100 100 4.4-4.4 4.5=100 QE TYR 76 - HB2 ASP 131 far 0 38 0 - 9.9-10.8 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 4.4-4.4 4.5=100 QD TYR 76 + HB2 TYR 76 OK 57 57 100 100 2.3-2.5 2.6=100 QE TYR 76 - HB2 ASP 131 far 0 78 0 - 9.9-10.8 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 2.5-3.9 4.5=100 H GLN 82 - HB2 TYR 76 far 0 95 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 2375 from cnoeabs.peaks (8.04, 3.13, 40.72 ppm; 4.68 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 76 + HB3 TYR 76 OK 100 100 100 100 2.5-2.8 3.8=100 H CYS 79 - HB3 TYR 76 far 5 100 5 - 5.1-5.6 H SER 130 - HB3 TYR 76 far 0 99 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 2376 from cnoeabs.peaks (4.31, 3.13, 40.72 ppm; 4.61 A): 1 out of 5 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 far 0 99 0 - 5.7-5.9 HA SER 74 - HB3 TYR 76 far 0 81 0 - 5.9-7.1 HA LEU 69 - HB3 TYR 76 far 0 85 0 - 7.1-7.6 HA ALA 15 - HB3 TYR 76 far 0 65 0 - 10.0-39.2 Violated in 0 structures by 0.00 A. Peak 2377 from cnoeabs.peaks (2.76, 3.13, 40.72 ppm; 4.46 A): 1 out of 3 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 far 0 97 0 - 5.9-7.0 HB3 ASP 78 - HB3 TYR 76 far 0 81 0 - 8.0-8.6 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 2.3-2.5 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 2.3-2.5 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 1 assignment used, quality = 1.00: * H VAL 77 + HB3 TYR 76 OK 100 100 100 100 2.6-4.0 4.5=100 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 - 6.5-8.6 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 1 assignment used, quality = 1.00: * HB VAL 77 + HA VAL 77 OK 100 100 100 100 2.6-2.7 3.0=100 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 - 4.7-5.3 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 4 assignments used, quality = 1.00: * QG2 VAL 77 + HA VAL 77 OK 100 100 100 100 1.9-2.2 3.2=100 HG3 LYS 39 - HA VAL 77 far 0 71 0 - 8.6-10.3 QG2 THR 25 - HA VAL 77 far 0 99 0 - 9.8-18.3 QB ALA 41 - HA VAL 77 far 0 97 0 - 9.9-10.5 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 3.5-3.6 3.6=100 H GLN 82 - HA VAL 77 far 0 68 0 - 6.5-8.6 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 2.1-2.3 7042=100, 7043/2.1=76...(18) H GLN 82 - HB VAL 77 far 0 95 0 - 9.1-11.0 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 2.6-2.7 3.0=100 HA ILE 129 - HB VAL 77 far 0 93 0 - 7.7-8.3 HA LEU 42 - HB VAL 77 far 0 63 0 - 10.0-10.5 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 - 5.8-6.3 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 2 assignments used, quality = 1.00: * QG2 VAL 77 + HB VAL 77 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 25 - HB VAL 77 far 0 99 0 - 8.4-18.1 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 3.4-3.7 7051=100, 7052/2.1=93...(19) H GLN 82 - HB VAL 77 far 0 68 0 - 9.1-11.0 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 2.5-3.0 7043=100, 7042/2.1=70...(20) H GLN 82 - QG1 VAL 77 far 0 95 0 - 7.4-9.8 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 - 8.4-8.8 HA LEU 42 - QG1 VAL 77 far 0 63 0 - 9.7-10.2 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 GLN 27 - QG1 VAL 77 far 0 73 0 - 9.5-17.3 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 QG2 THR 25 - QG1 VAL 77 far 0 99 0 - 6.0-14.3 QG2 THR 18 - QG1 VAL 77 far 0 97 0 - 7.0-23.3 QB ALA 41 - QG1 VAL 77 far 0 97 0 - 9.4-10.1 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 3 assignments used, quality = 1.00: * H ASP 78 + QG1 VAL 77 OK 100 100 100 100 1.7-1.8 7052=100, 7051/2.1=48...(19) HD21 ASN 13 - QG1 VAL 77 far 0 93 0 - 7.1-26.8 H GLN 82 - QG1 VAL 77 far 0 68 0 - 7.4-9.8 Violated in 0 structures by 0.00 A. Peak 2400 from cnoeabs.peaks (7.54, 1.18, 22.07 ppm; 3.86 A increased from 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=86...(21) H GLN 82 - QG2 VAL 77 far 0 95 0 - 6.3-8.0 Violated in 0 structures by 0.00 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 1.9-2.2 3.2=100 HA ILE 129 - QG2 VAL 77 far 0 93 0 - 6.3-7.0 HA VAL 126 - QG2 VAL 77 far 0 93 0 - 9.5-10.0 HA LEU 42 - QG2 VAL 77 far 0 63 0 - 9.6-10.3 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 1 assignment used, quality = 1.00: * HB VAL 77 + QG2 VAL 77 OK 100 100 100 100 2.1-2.1 2.1=100 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 - 4.9-5.4 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 3 assignments used, quality = 1.00: * H ASP 78 + QG2 VAL 77 OK 100 100 100 100 3.8-4.0 7053=100, 7052/2.1=95...(23) H GLN 82 - QG2 VAL 77 far 0 68 0 - 6.3-8.0 HD21 ASN 13 - QG2 VAL 77 far 0 93 0 - 8.3-29.3 Violated in 0 structures by 0.00 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 2.8-2.8 2.9=100 H GLN 82 - HA ASP 78 far 0 68 0 - 7.6-10.3 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 1 assignment used, quality = 1.00: * HB2 ASP 78 + HA ASP 78 OK 100 100 100 100 3.0-3.0 3.0=100 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 2.3-2.4 3.0=100 HB2 TYR 76 - HA ASP 78 far 0 81 0 - 7.6-8.4 HB3 ASP 35 - HA ASP 78 far 0 96 0 - 10.0-13.6 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 3 assignments used, quality = 1.00: * H CYS 79 + HA ASP 78 OK 100 100 100 100 3.3-3.3 3.6=100 H VAL 20 - HA ASP 78 far 0 83 0 - 5.8-29.3 H TYR 76 - HA ASP 78 far 0 100 0 - 6.9-7.1 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 3 assignments used, quality = 1.00: * H ASP 78 + HB2 ASP 78 OK 100 100 100 100 2.2-2.5 7055=100, 7056/1.8=81...(7) H GLN 82 - HB2 ASP 78 far 0 68 0 - 9.6-12.3 HD21 ASN 13 - HB2 ASP 78 far 0 93 0 - 9.7-33.3 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 3 assignments used, quality = 1.00: * HA ASP 78 + HB2 ASP 78 OK 100 100 100 100 3.0-3.0 3.0=100 HA CYS 73 - HB2 ASP 78 far 0 100 0 - 7.7-8.7 HA SER 33 - HB2 ASP 78 far 0 95 0 - 9.4-12.1 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 - 6.7-7.2 HB3 ASP 35 - HB2 ASP 78 far 0 96 0 - 7.8-11.5 HB2 CYS 73 - HB2 ASP 78 far 0 97 0 - 9.3-10.0 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 4 assignments used, quality = 1.00: * H CYS 79 + HB2 ASP 78 OK 100 100 100 100 3.4-3.5 4.3=100 H TYR 76 + HB2 ASP 78 OK 73 100 80 92 5.1-5.6 7033/7055=67...(4) H VAL 20 - HB2 ASP 78 far 0 83 0 - 6.8-27.6 H ALA 16 - HB2 ASP 78 far 0 95 0 - 9.1-34.4 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 6 assignments used, quality = 1.00: * H ASP 78 + HB3 ASP 78 OK 100 100 100 100 2.6-2.9 7056=100, 7055/1.8=86...(5) HE22 GLN 61 - HB2 ASP 64 far 0 59 0 - 4.7-9.4 HD21 ASN 13 - HB3 ASP 78 far 0 93 0 - 8.6-32.8 H ASP 78 - HB3 ASP 35 far 0 56 0 - 9.6-12.7 HD21 ASN 13 - HB2 ASP 64 far 0 73 0 - 9.8-41.0 H GLN 82 - HB3 ASP 78 far 0 68 0 - 9.8-12.6 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 4 assignments used, quality = 1.00: * HA ASP 78 + HB3 ASP 78 OK 100 100 100 100 2.3-2.4 3.0=100 HA SER 33 - HB3 ASP 35 far 0 49 0 - 5.0-5.9 HA CYS 73 - HB3 ASP 78 far 0 100 0 - 8.6-9.3 HA ASP 78 - HB3 ASP 35 far 0 56 0 - 10.0-13.6 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 2 assignments used, quality = 1.00: * HB2 ASP 78 + HB3 ASP 78 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASP 78 - HB3 ASP 35 far 0 56 0 - 7.8-11.5 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): 1 out of 7 assignments used, quality = 1.00: * H CYS 79 + HB3 ASP 78 OK 100 100 100 100 4.3-4.4 4.3=100 H VAL 20 - HB3 ASP 78 far 4 83 5 - 5.1-27.7 H TYR 76 - HB3 ASP 78 far 0 100 0 - 6.2-6.7 H ALA 16 - HB3 ASP 78 far 0 95 0 - 8.6-34.4 H CYS 79 - HB3 ASP 35 far 0 56 0 - 8.7-11.6 H ALA 52 - HB2 ASP 64 far 0 72 0 - 9.9-12.0 H TYR 76 - HB3 ASP 35 far 0 56 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 2421 from cnoeabs.peaks (8.04, 4.11, 58.55 ppm; 3.55 A): 1 out of 8 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 far 0 58 0 - 4.3-4.5 H VAL 20 - HA CYS 79 far 0 83 0 - 7.3-29.1 H TYR 76 - HA ILE 80 far 0 58 0 - 7.4-7.7 H TYR 76 - HA CYS 79 far 0 100 0 - 7.5-7.8 H ALA 16 - HA CYS 79 far 0 95 0 - 9.7-36.5 H VAL 20 - HA ILE 80 far 0 42 0 - 9.8-33.9 H ALA 16 - HA GLN 101 far 0 75 0 - 9.9-43.1 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 8 assignments used, quality = 1.00: * HB2 CYS 79 + HA CYS 79 OK 100 100 100 100 2.8-2.8 3.0=100 HB2 CYS 79 + HA ILE 80 OK 51 58 100 89 4.2-4.3 2427=41, ~11166=26...(13) HB2 LEU 100 + HA GLN 101 OK 37 69 55 97 4.5-4.7 7411/2.9=54, ~7412=38...(12) HB3 LYS 19 - HA CYS 79 far 0 65 0 - 5.0-30.0 HB3 LYS 24 - HA CYS 79 far 0 71 0 - 6.5-22.2 HB3 ARG 23 - HA CYS 79 far 0 90 0 - 6.6-23.5 HB3 ARG 135 - HA ILE 80 far 0 40 0 - 7.4-9.3 HB3 LYS 19 - HA ILE 80 far 0 31 0 - 7.9-34.9 Violated in 0 structures by 0.00 A. Peak 2424 from cnoeabs.peaks (2.61, 4.11, 58.55 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * HB3 CYS 79 + HA CYS 79 OK 100 100 100 100 2.9-2.9 3.0=100 HB3 CYS 79 - HA ILE 80 far 0 58 0 - 5.0-5.0 HB2 ASN 59 - HA GLN 101 far 0 81 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 2425 from cnoeabs.peaks (6.96, 4.11, 58.55 ppm; 4.55 A): 3 out of 4 assignments used, quality = 1.00: * H ILE 80 + HA CYS 79 OK 100 100 100 100 3.3-3.4 3.6=100 HE21 GLN 104 + HA GLN 101 OK 64 80 95 85 3.1-5.2 3.5/3451=30, 3.5/3442=26...(8) H ILE 80 + HA ILE 80 OK 58 58 100 100 2.7-2.7 3.0=100 HE21 GLN 82 - HA ILE 80 far 0 43 0 - 6.2-9.1 Violated in 0 structures by 0.00 A. Peak 2426 from cnoeabs.peaks (8.04, 1.84, 27.19 ppm; 4.47 A): 1 out of 3 assignments used, quality = 1.00: * H CYS 79 + HB2 CYS 79 OK 100 100 100 100 3.4-3.4 3.9=100 H TYR 76 - HB2 CYS 79 far 0 100 0 - 6.4-6.8 H VAL 20 - HB2 CYS 79 far 0 83 0 - 9.2-30.2 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 2.8-2.8 3.0=100 HA ILE 80 + HB2 CYS 79 OK 77 85 100 90 4.2-4.3 ~11166=30, 4.2/11215=27...(14) 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 3.5-3.7 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 2 assignments used, quality = 1.00: * H CYS 79 + HB3 CYS 79 OK 100 100 100 100 2.4-2.4 3.9=100 H TYR 76 - HB3 CYS 79 far 0 100 0 - 5.0-5.4 Violated in 0 structures by 0.00 A. Peak 2432 from cnoeabs.peaks (4.11, 2.61, 27.19 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HA CYS 79 + HB3 CYS 79 OK 100 100 100 100 2.9-2.9 3.0=100 HA ILE 80 - HB3 CYS 79 far 0 85 0 - 5.0-5.0 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 6 assignments used, quality = 1.00: * HB2 CYS 79 + HB3 CYS 79 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 19 - HB3 CYS 79 far 0 65 0 - 7.8-30.5 HB3 LYS 24 - HB3 CYS 79 far 0 71 0 - 8.1-21.9 HB2 LYS 36 - HB3 CYS 79 far 0 78 0 - 8.4-10.8 HB3 ARG 23 - HB3 CYS 79 far 0 90 0 - 8.7-23.4 HB ILE 32 - HB3 CYS 79 far 0 81 0 - 9.8-13.0 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 3.4-3.6 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 2.7-2.7 3.0=100 H ILE 80 + HA CYS 79 OK 58 58 100 100 3.3-3.4 3.6=100 HE21 GLN 82 - HA ILE 80 far 0 85 0 - 6.2-9.1 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 2.8-2.9 3.0=100 HB ILE 80 + HA CYS 79 OK 58 58 100 100 5.2-5.3 7073/3.6=90, 9700/2.9=79...(18) HB2 LYS 39 - HA ILE 80 poor 15 73 20 - 5.6-8.3 HB2 LYS 19 - HA CYS 79 far 3 51 5 - 4.5-31.4 HD3 LYS 39 - HA ILE 80 far 0 73 0 - 6.4-9.5 HB2 ARG 23 - HA CYS 79 far 0 44 0 - 7.1-23.6 HB2 LYS 24 - HA CYS 79 far 0 54 0 - 7.8-21.0 HB2 LYS 19 - HA ILE 80 far 0 95 0 - 8.0-36.3 HG2 ARG 135 - HA ILE 80 far 0 65 0 - 8.7-10.9 HB2 LYS 39 - HA CYS 79 far 0 36 0 - 9.2-12.1 HB2 ARG 23 - HA ILE 80 far 0 87 0 - 10.0-28.3 Violated in 0 structures by 0.00 A. Peak 2439 from cnoeabs.peaks (0.81, 4.12, 58.67 ppm; 4.24 A): 3 out of 9 assignments used, quality = 1.00: * QG2 ILE 80 + HA ILE 80 OK 100 100 100 100 2.8-3.0 3.2=100 HG13 ILE 80 + HA ILE 80 OK 97 97 100 100 1.9-2.3 4.1=100 QG1 VAL 133 + HA ILE 80 OK 44 76 70 83 4.2-5.7 10586/4.2=26, ~11767=15...(13) QG2 ILE 80 - HA CYS 79 far 0 58 0 - 5.2-5.6 HG13 ILE 80 - HA CYS 79 far 0 54 0 - 6.2-6.6 QD2 LEU 22 - HA CYS 79 far 0 30 0 - 7.3-20.0 QG2 ILE 129 - HA ILE 80 far 0 99 0 - 7.4-7.9 QG1 VAL 133 - HA CYS 79 far 0 37 0 - 8.1-9.5 QD2 LEU 22 - HA ILE 80 far 0 63 0 - 9.8-24.1 Violated in 0 structures by 0.00 A. Peak 2440 from cnoeabs.peaks (1.21, 4.12, 58.67 ppm; 6.21 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 80 + HA ILE 80 OK 100 100 100 100 2.6-3.1 4.1=100 HG12 ILE 80 - HA CYS 79 far 0 58 0 - 7.3-7.5 QG2 THR 83 - HA ILE 80 far 0 60 0 - 7.7-8.4 QG2 THR 83 - HA CYS 79 far 0 28 0 - 8.1-8.9 QG2 THR 25 - HA CYS 79 far 0 36 0 - 8.8-16.2 Violated in 0 structures by 0.00 A. Peak 2441 from cnoeabs.peaks (0.82, 4.12, 58.67 ppm; 4.50 A): 3 out of 9 assignments used, quality = 1.00: * HG13 ILE 80 + HA ILE 80 OK 100 100 100 100 1.9-2.3 4.1=100 QG2 ILE 80 + HA ILE 80 OK 97 97 100 100 2.8-3.0 3.2=100 QG1 VAL 133 + HA ILE 80 OK 64 95 75 91 4.2-5.7 10586/4.2=41...(13) QG2 ILE 80 - HA CYS 79 far 0 54 0 - 5.2-5.6 HG13 ILE 80 - HA CYS 79 far 0 58 0 - 6.2-6.6 QD2 LEU 22 - HA CYS 79 far 0 44 0 - 7.3-20.0 QG2 ILE 129 - HA ILE 80 far 0 100 0 - 7.4-7.9 QG1 VAL 133 - HA CYS 79 far 0 51 0 - 8.1-9.5 QD2 LEU 22 - HA ILE 80 far 0 87 0 - 9.8-24.1 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 3 assignments used, quality = 1.00: * QD1 ILE 80 + HA ILE 80 OK 100 100 100 100 3.3-3.7 4.2=100 QD1 ILE 80 + HA CYS 79 OK 58 58 100 100 6.1-6.4 7077/3.6=99, 9699/2.9=86...(13) QG2 VAL 93 - HA ILE 80 far 0 83 0 - 8.5-8.9 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 2.2-2.3 3.9=100 HE21 GLN 82 - HB ILE 80 far 0 85 0 - 7.3-9.9 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 2.8-2.9 3.0=100 HA CYS 79 + HB ILE 80 OK 85 85 100 100 5.2-5.3 3.6/7073=97, 2.9/9700=85...(18) 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 5 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 2.6-2.8 3.0=100 QG1 VAL 133 - HB ILE 80 far 0 76 0 - 5.8-7.3 QG2 ILE 129 - HB ILE 80 far 0 99 0 - 6.9-7.5 QD2 LEU 22 - HB ILE 80 far 0 63 0 - 8.6-23.7 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 2.9-3.0 3.0=100 QG2 THR 83 - HB ILE 80 far 0 60 0 - 5.8-6.6 Violated in 0 structures by 0.00 A. Peak 2448 from cnoeabs.peaks (0.82, 1.74, 38.49 ppm; 4.56 A): 2 out of 5 assignments used, quality = 1.00: * HG13 ILE 80 + HB ILE 80 OK 100 100 100 100 2.6-2.8 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 far 0 95 0 - 5.8-7.3 QG2 ILE 129 - HB ILE 80 far 0 100 0 - 6.9-7.5 QD2 LEU 22 - HB ILE 80 far 0 87 0 - 8.6-23.7 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 2.1-2.2 3.2=100 QG2 VAL 93 - HB ILE 80 far 0 83 0 - 7.5-7.9 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 4 assignments used, quality = 1.00: * H ILE 80 + QG2 ILE 80 OK 100 100 100 100 3.4-3.6 4.0=100 HE21 GLN 82 - QG2 ILE 80 far 13 85 15 - 4.3-6.3 H ILE 80 - QG2 ILE 129 far 0 70 0 - 7.6-8.0 HE21 GLN 82 - QG2 ILE 129 far 0 52 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 2451 from cnoeabs.peaks (4.12, 0.81, 17.22 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 80 + QG2 ILE 80 OK 100 100 100 100 2.8-3.0 3.2=100 HA CYS 79 - QG2 ILE 80 far 0 85 0 - 5.2-5.6 HA ILE 80 - QG2 ILE 129 far 0 70 0 - 7.4-7.9 HA CYS 45 - QG2 ILE 129 far 0 69 0 - 8.7-9.6 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 18 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 1.9-3.2 3.2=100 HG3 ARG 90 - QG2 ILE 129 far 0 68 0 - 5.9-7.9 HG2 ARG 135 - QG2 ILE 80 far 0 65 0 - 6.4-8.4 HB2 LYS 39 - QG2 ILE 80 far 0 73 0 - 6.6-9.0 HB2 LYS 19 - QG2 ILE 80 far 0 95 0 - 6.6-31.5 HD3 LYS 39 - QG2 ILE 80 far 0 73 0 - 6.6-9.6 HG3 ARG 90 - QG2 ILE 80 far 0 100 0 - 6.9-8.2 HB ILE 80 - QG2 ILE 129 far 0 70 0 - 6.9-7.5 HG2 ARG 135 - QG2 ILE 129 far 0 38 0 - 7.1-8.6 HB2 LEU 43 - QG2 ILE 129 far 0 64 0 - 7.5-8.5 HB3 LEU 70 - QG2 ILE 129 far 0 45 0 - 7.7-8.7 HB2 LEU 70 - QG2 ILE 129 far 0 40 0 - 7.7-8.6 HB2 LYS 39 - QG2 ILE 129 far 0 44 0 - 7.9-9.2 HG13 ILE 129 - QG2 ILE 80 far 0 99 0 - 8.6-11.2 HD3 LYS 39 - QG2 ILE 129 far 0 44 0 - 8.8-10.3 HB2 ARG 23 - QG2 ILE 80 far 0 87 0 - 9.4-25.0 HG LEU 48 - QG2 ILE 129 far 0 44 0 - 10.0-11.7 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 2.1-2.3 3.2=100 QG2 THR 83 + QG2 ILE 80 OK 27 60 70 64 4.1-4.8 9760/11240=22...(8) HG12 ILE 80 - QG2 ILE 129 far 0 70 0 - 5.7-6.7 QG2 THR 65 - QG2 ILE 129 far 0 54 0 - 7.9-8.6 QG2 THR 83 - QG2 ILE 129 far 0 35 0 - 9.4-10.2 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): 2 out of 4 assignments used, quality = 1.00: * QD1 ILE 80 + QG2 ILE 80 OK 100 100 100 100 2.3-2.7 3.1=100 QG2 VAL 93 + QG2 ILE 129 OK 50 51 100 99 1.7-1.9 9967/3.0=40...(39) QD1 ILE 80 - QG2 ILE 129 far 7 70 10 - 3.8-4.4 QG2 VAL 93 - QG2 ILE 80 far 0 83 0 - 7.2-7.7 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 4.2-4.5 4.4=100 HE21 GLN 82 - HG12 ILE 80 far 4 85 5 - 5.0-8.4 Violated in 0 structures by 0.00 A. Peak 2458 from cnoeabs.peaks (4.12, 1.21, 27.07 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 80 + HG12 ILE 80 OK 100 100 100 100 2.6-3.1 4.1=100 HA CYS 79 - HG12 ILE 80 far 0 85 0 - 7.3-7.5 Violated in 0 structures by 0.00 A. Peak 2459 from cnoeabs.peaks (1.74, 1.21, 27.07 ppm; 4.83 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 80 + HG12 ILE 80 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 LYS 39 - HG12 ILE 80 far 0 73 0 - 6.0-8.7 HG2 ARG 135 - HG12 ILE 80 far 0 65 0 - 6.3-8.5 HD3 LYS 39 - HG12 ILE 80 far 0 73 0 - 6.4-9.8 HG13 ILE 129 - HG12 ILE 80 far 0 99 0 - 8.7-11.2 HG3 ARG 90 - HG12 ILE 80 far 0 100 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 2460 from cnoeabs.peaks (0.81, 1.21, 27.07 ppm; 3.82 A): 3 out of 4 assignments used, quality = 1.00: * QG2 ILE 80 + HG12 ILE 80 OK 100 100 100 100 2.1-2.3 3.2=100 HG13 ILE 80 + HG12 ILE 80 OK 97 97 100 100 1.8-1.8 1.8=100 QG1 VAL 133 + HG12 ILE 80 OK 49 76 65 99 3.6-5.6 ~10588=43, ~10588=39...(23) QG2 ILE 129 - HG12 ILE 80 far 0 99 0 - 5.7-6.7 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 2.1-2.3 3.2=100 QG1 VAL 133 + HG12 ILE 80 OK 56 95 60 98 3.6-5.6 ~10588=38, ~10588=34...(23) QG2 ILE 129 - HG12 ILE 80 far 0 100 0 - 5.7-6.7 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 - 7.2-7.8 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 3.0-3.6 4.4=100 HE21 GLN 82 - HG13 ILE 80 far 0 85 0 - 6.4-9.8 Violated in 0 structures by 0.00 A. Peak 2465 from cnoeabs.peaks (4.12, 0.82, 27.07 ppm; 5.56 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 80 + HG13 ILE 80 OK 100 100 100 100 1.9-2.3 4.1=100 HA CYS 79 - HG13 ILE 80 far 0 85 0 - 6.2-6.6 Violated in 0 structures by 0.00 A. Peak 2466 from cnoeabs.peaks (1.74, 0.82, 27.07 ppm; 6.80 A): 2 out of 8 assignments used, quality = 1.00: * HB ILE 80 + HG13 ILE 80 OK 100 100 100 100 2.6-2.8 3.0=100 HB2 LYS 39 + HG13 ILE 80 OK 40 73 95 57 5.9-8.3 9629/9745=21, ~11956=14...(7) HD3 LYS 39 - HG13 ILE 80 poor 10 73 40 33 6.8-9.4 ~11956=14, ~11931=14...(4) HG2 ARG 135 - HG13 ILE 80 far 0 65 0 - 7.5-9.6 HG3 ARG 90 - HG13 ILE 80 far 0 100 0 - 8.5-9.5 HG13 ILE 129 - HG13 ILE 80 far 0 99 0 - 8.7-10.8 HB2 LYS 19 - HG13 ILE 80 far 0 95 0 - 9.6-37.2 HB2 LEU 43 - HG13 ILE 80 far 0 97 0 - 10.0-10.8 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 - 7.7-8.7 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 - 6.9-7.4 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 3.3-3.6 7077=100, 7073/3.2=68...(20) HE21 GLN 82 - QD1 ILE 80 far 0 85 0 - 5.9-8.8 Violated in 0 structures by 0.00 A. Peak 2472 from cnoeabs.peaks (4.12, 0.27, 13.24 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 80 + QD1 ILE 80 OK 100 100 100 100 3.3-3.7 4.2=95, 3.0/7077=67...(16) HA CYS 79 - QD1 ILE 80 far 0 85 0 - 6.1-6.4 Violated in 0 structures by 0.00 A. Peak 2473 from cnoeabs.peaks (1.74, 0.27, 13.24 ppm; 3.66 A): 1 out of 9 assignments used, quality = 1.00: * HB ILE 80 + QD1 ILE 80 OK 100 100 100 100 2.1-2.2 3.2=100 HG3 ARG 90 - QD1 ILE 80 far 0 100 0 - 5.5-6.0 HG13 ILE 129 - QD1 ILE 80 far 0 99 0 - 5.8-7.9 HG2 ARG 135 - QD1 ILE 80 far 0 65 0 - 6.2-7.9 HB2 LYS 39 - QD1 ILE 80 far 0 73 0 - 6.5-8.4 HD3 LYS 39 - QD1 ILE 80 far 0 73 0 - 7.0-9.2 HB2 LYS 19 - QD1 ILE 80 far 0 95 0 - 8.8-31.8 HB2 LEU 43 - QD1 ILE 80 far 0 97 0 - 9.3-9.8 HB2 ARG 23 - QD1 ILE 80 far 0 87 0 - 9.9-24.9 Violated in 0 structures by 0.00 A. Peak 2474 from cnoeabs.peaks (0.81, 0.27, 13.24 ppm; 3.19 A): 2 out of 6 assignments used, quality = 1.00: * QG2 ILE 80 + QD1 ILE 80 OK 100 100 100 100 2.3-2.7 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 far 5 99 5 - 3.8-4.4 QG1 VAL 133 - QD1 ILE 80 far 0 76 0 - 3.9-5.0 QD1 LEU 70 - QD1 ILE 80 far 0 100 0 - 8.4-9.2 QD2 LEU 22 - QD1 ILE 80 far 0 63 0 - 8.8-21.2 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 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 THR 83 - QD1 ILE 80 far 0 60 0 - 5.8-6.4 QG2 THR 25 - QD1 ILE 80 far 0 73 0 - 9.7-16.8 Violated in 0 structures by 0.00 A. Peak 2476 from cnoeabs.peaks (0.82, 0.27, 13.24 ppm; 3.35 A): 2 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 2.3-2.7 3.1=100 QG2 ILE 129 - QD1 ILE 80 far 15 100 15 - 3.8-4.4 QG1 VAL 133 - QD1 ILE 80 far 5 95 5 - 3.9-5.0 QD1 LEU 70 - QD1 ILE 80 far 0 100 0 - 8.4-9.2 QD2 LEU 22 - QD1 ILE 80 far 0 87 0 - 8.8-21.2 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 2.0-2.4 3.8=98, 11168/2.3=49...(26) HA CYS 79 - HD2 PRO 81 far 0 85 0 - 6.4-7.1 HA3 GLY 114 - HD2 PRO 117 far 0 90 0 - 6.7-8.5 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 2 assignments used, quality = 1.00: * HD2 PRO 81 + HA ILE 80 OK 100 100 100 100 2.0-2.4 3.8=100 HD2 PRO 81 - HA CYS 79 far 0 58 0 - 6.4-7.1 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 2.3-2.4 3.8=100 HA CYS 79 - HD3 PRO 81 far 0 85 0 - 5.4-6.7 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 6 assignments used, quality = 1.00: * HD3 PRO 81 + HA ILE 80 OK 100 100 100 100 2.3-2.4 3.8=100 HD3 PRO 81 - HA CYS 79 far 0 58 0 - 5.4-6.7 HB2 SER 38 - HA ILE 80 far 0 76 0 - 9.5-10.5 HA ILE 37 - HA CYS 79 far 0 46 0 - 9.7-10.7 HA ILE 37 - HA ILE 80 far 0 89 0 - 9.7-10.5 HA ARG 135 - HA ILE 80 far 0 83 0 - 9.9-11.5 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 4 assignments used, quality = 1.00: * HG2 PRO 81 + HD2 PRO 81 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 PRO 117 + HD2 PRO 117 OK 85 85 100 100 3.9-3.9 3.0=100 HB2 GLN 134 - HD2 PRO 81 far 0 78 0 - 9.0-10.0 HG2 ARG 90 - HD2 PRO 81 far 0 73 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 2483 from cnoeabs.peaks (2.05, 3.85, 51.18 ppm; 4.35 A): 3 out of 9 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 2.3-2.3 2.3=100 HG2 PRO 117 + HD2 PRO 117 OK 90 90 100 100 3.0-3.0 2.3=100 HB VAL 118 - HD2 PRO 117 far 0 89 0 - 5.9-6.2 HB3 LYS 39 - HD2 PRO 81 far 0 63 0 - 6.0-8.3 HG3 ARG 135 - HD2 PRO 81 far 0 87 0 - 6.5-7.6 HB2 GLN 134 - HD2 PRO 81 far 0 57 0 - 9.0-10.0 HG3 PRO 113 - HD2 PRO 117 far 0 85 0 - 9.4-11.4 HG2 ARG 90 - HD2 PRO 81 far 0 63 0 - 9.4-10.4 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 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 ARG 135 - HD2 PRO 81 far 0 83 0 - 7.7-9.9 HA LEU 103 - HD2 PRO 117 far 0 67 0 - 8.1-9.0 HA LEU 119 - HD2 PRO 117 far 0 83 0 - 8.5-8.6 HB2 SER 38 - HD2 PRO 81 far 0 76 0 - 9.5-11.9 HA GLU 102 - HD2 PRO 117 far 0 81 0 - 9.8-11.8 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 3 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 - 9.1-11.1 HB VAL 20 - HD3 PRO 81 far 0 100 0 - 9.7-33.3 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 4 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 far 0 63 0 - 5.7-7.0 HG3 ARG 135 - HD3 PRO 81 far 0 87 0 - 7.9-9.3 HB2 GLN 134 - HD3 PRO 81 far 0 57 0 - 9.1-11.1 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 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 97 0 - 9.7-11.0 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): 1 out of 11 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 far 0 67 0 - 4.8-5.5 HB3 LYS 39 - HG2 PRO 81 far 0 63 0 - 5.0-9.0 HB3 GLU 55 - HG3 PRO 56 far 0 67 0 - 5.2-6.3 HG3 ARG 135 - HG2 PRO 81 far 0 87 0 - 5.9-9.0 HB2 GLN 134 - HG2 PRO 81 far 0 57 0 - 8.2-9.9 HG3 PRO 113 - HG3 PRO 56 far 0 66 0 - 8.6-10.8 HG3 PRO 58 - HG2 PRO 56 far 0 51 0 - 8.9-9.3 HG2 PRO 58 - HG2 PRO 56 far 0 45 0 - 9.3-9.6 HG3 PRO 113 - HG2 PRO 56 far 0 66 0 - 9.3-11.6 HB3 GLU 40 - HG2 PRO 81 far 0 92 0 - 9.9-13.7 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 2.3-2.7 2.3=100 HA GLU 40 - HG2 PRO 81 far 0 97 0 - 9.5-12.4 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 0 83 0 - 6.4-10.5 HB2 SER 38 - HG2 PRO 81 far 0 76 0 - 8.9-13.3 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 12 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 2.7-2.7 2.3=100 HB3 PRO 117 + HG2 PRO 117 OK 97 97 100 100 2.3-2.3 2.3=100 HG2 PRO 81 - HG3 ARG 135 far 0 65 0 - 5.9-9.0 HB2 GLN 134 - HG3 ARG 135 far 0 44 0 - 6.1-7.6 HB3 PRO 56 - HG3 PRO 113 far 0 84 0 - 6.4-8.6 HB2 GLN 134 - HG3 PRO 81 far 0 78 0 - 7.6-9.7 HG3 PRO 56 - HG3 PRO 113 far 0 80 0 - 8.6-10.8 HB3 MET 11 - HG3 ARG 135 far 0 41 0 - 8.9-48.8 HB ILE 129 - HG3 ARG 135 far 0 65 0 - 9.2-10.5 HG2 PRO 56 - HG3 PRO 113 far 0 80 0 - 9.3-11.6 HB VAL 20 - HG3 PRO 81 far 0 100 0 - 10.0-35.9 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 7 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 2.3-2.3 2.3=100 HD2 PRO 117 + HG2 PRO 117 OK 98 98 100 100 3.0-3.0 2.3=100 HD2 PRO 81 - HG3 ARG 135 far 0 65 0 - 6.5-7.6 HB2 SER 130 - HG3 ARG 135 far 0 31 0 - 9.1-10.7 HA GLU 40 - HG3 PRO 81 far 0 97 0 - 9.3-11.8 HD2 PRO 117 - HG3 PRO 113 far 0 81 0 - 9.4-11.4 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 11 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 3.1-3.8 4.2=91, 4308/1.8=69...(14) HA ARG 135 - HG3 PRO 81 far 0 83 0 - 6.9-9.4 HA LEU 103 - HG2 PRO 117 far 0 80 0 - 7.0-7.6 HA LEU 119 - HG2 PRO 117 far 0 95 0 - 7.7-8.0 HA GLU 102 - HG2 PRO 117 far 0 94 0 - 7.9-9.7 HD3 PRO 81 - HG3 ARG 135 far 0 65 0 - 7.9-9.3 HA LEU 103 - HG3 PRO 117 far 0 81 0 - 8.5-9.2 HA LEU 119 - HG3 PRO 117 far 0 96 0 - 9.1-9.3 HA GLU 102 - HG3 PRO 117 far 0 95 0 - 9.3-11.2 HB2 SER 38 - HG3 PRO 81 far 0 76 0 - 9.8-12.3 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 2.7-4.1 3.5=100 HE21 GLN 82 + HG3 GLN 82 OK 94 94 100 100 2.3-4.1 3.5=100 HE21 GLN 104 - HG2 GLN 101 far 3 31 10 - 4.5-8.8 H ILE 80 - HG3 GLN 82 far 0 75 0 - 7.8-10.1 H ILE 80 - HG2 GLN 82 far 0 85 0 - 9.5-10.7 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 2.8-4.1 3.5=100 HE22 GLN 82 + HG3 GLN 82 OK 94 94 100 100 2.5-4.1 3.5=100 H VAL 105 - HG2 GLN 101 far 0 44 0 - 5.9-7.6 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 2.3-4.1 3.5=100 HE21 GLN 82 + HG2 GLN 82 OK 94 94 100 100 2.7-4.1 3.5=100 H ILE 80 - HG3 GLN 82 far 0 85 0 - 7.8-10.1 H ILE 80 - HG2 GLN 82 far 0 75 0 - 9.5-10.7 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 2.5-4.1 3.5=100 HE22 GLN 82 + HG2 GLN 82 OK 94 94 100 100 2.8-4.1 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 2 assignments used, quality = 1.00: * HB THR 83 + HA THR 83 OK 100 100 100 100 3.0-3.0 3.0=100 HB THR 18 - HA THR 83 far 0 71 0 - 9.7-38.5 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 2.2-2.4 3.2=100 HG12 ILE 80 - HA THR 83 far 0 60 0 - 5.5-6.9 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 4 assignments used, quality = 1.00: * H LYS 86 + HA THR 83 OK 100 100 100 100 3.0-3.2 7129=100, 11241/2517=78...(16) H GLY 14 - HA THR 83 far 0 68 0 - 6.6-42.4 H GLY 17 - HA THR 83 far 0 83 0 - 9.1-40.2 H LYS 19 - HA THR 83 far 0 98 0 - 9.5-37.7 Violated in 0 structures by 0.00 A. Peak 2511 from cnoeabs.peaks (1.79, 3.75, 66.49 ppm; 5.17 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 86 + HA THR 83 OK 100 100 100 100 2.5-4.2 2624=100, 1.8/2636=97...(19) HB2 ARG 84 - HA THR 83 far 14 93 15 - 5.5-6.0 HB3 LYS 19 - HA THR 83 far 0 89 0 - 8.6-36.7 HB3 ARG 135 - HA THR 83 far 0 76 0 - 8.6-10.1 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 2 assignments used, quality = 1.00: * HB3 LYS 86 + HA THR 83 OK 100 100 100 100 2.0-3.0 2636=100, 1.8/2624=92...(19) HB3 PRO 81 - HA THR 83 far 0 97 0 - 7.1-8.5 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 - 8.1-9.3 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 2.4-2.6 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 2.2-2.4 3.2=99 HA VAL 133 - QG2 THR 83 far 0 81 0 - 9.6-10.3 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 2 assignments used, quality = 1.00: * HB THR 83 + QG2 THR 83 OK 100 100 100 100 2.1-2.1 2.1=100 HB THR 18 - QG2 THR 83 far 0 71 0 - 6.1-31.9 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 3.4-3.7 7089=86, 7088/2.1=74...(12) Violated in 2 structures by 0.00 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 2.7-2.8 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): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 86 - HA ARG 84 far 0 93 0 - 5.6-6.3 HB3 ARG 135 - HA ARG 84 far 0 98 0 - 7.7-9.6 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 4 assignments used, quality = 1.00: * HB3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.2-2.5 3.0=100 HB2 MET 11 - HA ARG 84 far 0 85 0 - 7.5-49.4 HB2 ARG 135 - HA ARG 84 far 0 100 0 - 7.8-9.7 HB2 ARG 90 - HA ARG 84 far 0 98 0 - 9.2-9.8 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 2.3-3.6 3.9=100 HG3 ARG 84 + HA ARG 84 OK 100 100 100 100 3.5-4.2 3.9=100 QB ALA 88 + HA ARG 84 OK 24 73 40 82 4.5-5.8 2750/4.9=39...(9) HD3 LYS 86 - HA ARG 84 far 0 78 0 - 7.1-7.8 HD2 LYS 86 - HA ARG 84 far 0 78 0 - 8.6-9.1 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 2.3-3.6 3.9=100 * HG3 ARG 84 + HA ARG 84 OK 100 100 100 100 3.5-4.2 3.9=100 QB ALA 88 + HA ARG 84 OK 24 73 40 82 4.5-5.8 2750/4.9=39...(9) HD3 LYS 86 - HA ARG 84 far 0 78 0 - 7.1-7.8 HD2 LYS 86 - HA ARG 84 far 0 78 0 - 8.6-9.1 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 2 assignments used, quality = 1.00: * HD2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.3-5.1 5.0=100 HD3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.4-4.8 5.0=100 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 2 assignments used, quality = 1.00: HD2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.3-5.1 5.0=100 * HD3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.4-4.8 5.0=100 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 3.5-3.5 3.6=100 HE ARG 84 + HA ARG 84 OK 90 90 100 100 2.3-5.0 11859=61, 2.9/2579=36...(25) QE PHE 87 - HA ARG 84 poor 18 100 25 73 2.0-6.8 6.3/2530=32, 4.4/2532=29...(7) HD21 ASN 85 - HA ARG 84 far 0 78 0 - 5.3-7.7 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 3 assignments used, quality = 0.98: * H PHE 87 + HA ARG 84 OK 98 100 100 98 3.9-4.2 7151=52, 11240/9782=40...(15) H GLU 91 - HA ARG 84 far 0 98 0 - 8.9-9.6 H ALA 15 - HA ARG 84 far 0 68 0 - 9.6-44.4 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: * HB2 PHE 87 + HA ARG 84 OK 100 100 100 100 3.4-4.5 4.0/2530=81...(12) HB3 PHE 87 + HA ARG 84 OK 97 100 100 97 4.5-5.7 4.0/2530=81, 1.8/2725=38...(9) HD3 ARG 135 - HA ARG 84 far 0 100 0 - 7.1-9.3 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: HB2 PHE 87 + HA ARG 84 OK 99 100 100 100 3.4-4.5 4.0/2530=80...(12) * HB3 PHE 87 + HA ARG 84 OK 97 100 100 97 4.5-5.7 4.0/2530=80, 1.8/2725=38...(9) HD3 ARG 135 - HA ARG 84 far 0 100 0 - 7.1-9.3 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 2.1-2.8 7091=100, 2542/1.8=79...(15) 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 2.5-3.0 3.0=100 HA PHE 87 - HB2 ARG 84 far 0 89 0 - 8.3-8.9 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 3 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 - 5.1-8.3 HB2 MET 11 - HB2 ARG 84 far 0 85 0 - 6.2-50.7 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 2.2-2.5 3.0=100 * HG2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 88 - HB2 ARG 84 far 0 73 0 - 4.9-6.8 HD3 LYS 86 - HB2 ARG 84 far 0 78 0 - 8.3-9.4 HD2 LYS 86 - HB2 ARG 84 far 0 78 0 - 9.4-10.7 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 2.2-2.5 3.0=100 HG2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 88 - HB2 ARG 84 far 0 73 0 - 4.9-6.8 HD3 LYS 86 - HB2 ARG 84 far 0 78 0 - 8.3-9.4 HD2 LYS 86 - HB2 ARG 84 far 0 78 0 - 9.4-10.7 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 2 assignments used, quality = 1.00: HD3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.8-4.2 4.0=100 * HD2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.8-4.2 4.0=100 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 2 assignments used, quality = 1.00: * HD3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.8-4.2 4.0=100 HD2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.8-4.2 4.0=100 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 2.6-4.0 4.7=97, 3.7/7091=75...(15) HE ARG 84 + HB2 ARG 84 OK 81 90 90 100 2.4-5.2 5.1=76, 11859/3.0=48...(19) HD21 ASN 85 + HB2 ARG 84 OK 46 78 80 74 2.6-7.0 1.7/9807=21, 9799=20...(14) QE PHE 87 - HB2 ARG 84 poor 11 100 25 45 3.9-9.5 ~5522=17, ~5522=16...(6) 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 3.0-3.6 7092=99, 7091/1.8=82...(11) 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 2.2-2.5 3.0=100 HA PHE 87 - HB3 ARG 84 far 0 89 0 - 7.9-8.5 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 - 6.3-8.5 HB2 LYS 86 - HB3 ARG 84 far 0 93 0 - 7.7-8.4 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 4 assignments used, quality = 1.00: HG3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 * HG2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.6-3.0 3.0=100 QB ALA 88 - HB3 ARG 84 far 0 73 0 - 4.5-6.7 HD3 LYS 86 - HB3 ARG 84 far 0 78 0 - 8.9-9.9 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 4 assignments used, quality = 1.00: * HG3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.6-3.0 3.0=100 QB ALA 88 - HB3 ARG 84 far 0 73 0 - 4.5-6.7 HD3 LYS 86 - HB3 ARG 84 far 0 78 0 - 8.9-9.9 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: HD3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.1-3.7 4.0=100 * HD2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.4-3.6 4.0=100 HB2 HIS 10 - HB3 ARG 84 far 0 76 0 - 9.0-54.1 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: * HD3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.1-3.7 4.0=100 HD2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.4-3.6 4.0=100 HB2 HIS 10 - HB3 ARG 84 far 0 76 0 - 9.0-54.1 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 3.7-4.2 4.7=100 HE ARG 84 + HB3 ARG 84 OK 90 90 100 100 2.0-4.8 5.1=100 HD21 ASN 85 + HB3 ARG 84 OK 22 78 35 81 4.0-7.0 4.5/11320=29, ~9807=24...(12) QE PHE 87 - HB3 ARG 84 poor 13 100 25 52 2.4-8.6 ~5522=21, ~5522=20...(6) 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 1.9-4.0 4.6=100 H ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.0-4.4 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): 3 out of 24 assignments used, quality = 1.00: * HA ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.6 3.9=100 HA ARG 84 + HG3 ARG 84 OK 100 100 100 100 3.5-4.2 3.9=100 HA LEU 22 + HG LEU 22 OK 41 41 100 100 2.2-3.7 4.3=100 HA LYS 26 - HG3 ARG 23 poor 11 56 20 - 4.2-11.2 HA LYS 19 - HG LEU 22 far 6 42 15 - 4.7-8.7 HA LEU 22 - HG3 ARG 23 far 6 58 10 - 4.7-7.4 HA ALA 28 - HG LEU 22 far 3 53 5 - 4.6-19.5 HA LYS 19 - HG3 ARG 23 far 0 60 0 - 6.3-11.1 HA LYS 26 - HG LEU 22 far 0 39 0 - 6.5-12.8 HA ALA 16 - HG3 ARG 23 far 0 42 0 - 6.5-17.6 HA LYS 31 - HG3 ARG 23 far 0 40 0 - 6.6-20.1 HA ALA 28 - HG3 ARG 23 far 0 73 0 - 6.6-17.9 HA GLN 27 - HG LEU 22 far 0 57 0 - 6.7-16.1 HA GLN 27 - HG3 ARG 23 far 0 78 0 - 6.9-15.2 HB THR 115 - HG LEU 119 far 0 36 0 - 7.0-7.5 HB3 SER 38 - HG LEU 43 far 0 55 0 - 7.2-9.0 HA ALA 34 - HG3 ARG 23 far 0 52 0 - 7.7-20.8 HA ALA 109 - HG LEU 119 far 0 31 0 - 8.1-9.7 HA PHE 87 - HG2 ARG 84 far 0 89 0 - 8.1-9.6 HA ALA 29 - HG LEU 22 far 0 42 0 - 8.5-21.3 HA ALA 29 - HG3 ARG 23 far 0 60 0 - 9.2-18.6 HA ALA 108 - HG LEU 119 far 0 31 0 - 9.2-10.8 HA PHE 87 - HG3 ARG 84 far 0 89 0 - 9.3-10.2 HA LYS 31 - HG LEU 22 far 0 28 0 - 10.0-24.0 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 24 assignments used, quality = 1.00: HB2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-2.5 3.0=100 * HB2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 23 + HG3 ARG 23 OK 68 68 100 100 2.3-3.0 3.0=100 HB3 ARG 135 - HG2 ARG 84 far 0 98 0 - 5.5-9.9 HB3 LYS 19 - HG3 ARG 23 far 0 78 0 - 5.6-11.1 HB3 LEU 103 - HG LEU 119 far 0 52 0 - 5.7-7.1 HB3 LYS 24 - HG LEU 22 far 0 56 0 - 5.9-10.7 HB3 ARG 135 - HG3 ARG 84 far 0 98 0 - 6.0-8.6 HB3 LEU 122 - HG LEU 119 far 0 53 0 - 6.1-7.3 HB3 LYS 26 - HG3 ARG 23 far 0 73 0 - 6.2-12.8 HB3 LYS 24 - HG3 ARG 23 far 0 77 0 - 6.3-8.1 HB3 LYS 31 - HG3 ARG 23 far 0 78 0 - 6.8-19.8 HB3 ARG 23 - HG LEU 22 far 0 49 0 - 6.9-8.7 HB3 LYS 19 - HG LEU 22 far 0 57 0 - 7.2-10.1 HB2 LYS 86 - HG2 ARG 84 far 0 93 0 - 7.2-8.5 HB3 LEU 123 - HG LEU 119 far 0 33 0 - 7.3-8.5 HB ILE 32 - HG3 ARG 23 far 0 74 0 - 7.7-18.1 HB3 LYS 31 - HG LEU 22 far 0 57 0 - 7.8-23.2 HB2 LYS 86 - HG3 ARG 84 far 0 93 0 - 8.2-9.7 HB3 LYS 26 - HG LEU 22 far 0 53 0 - 8.5-15.1 HB2 LYS 36 - HG3 ARG 23 far 0 75 0 - 8.7-21.9 HB2 LYS 86 - HG3 ARG 23 far 0 68 0 - 8.8-27.6 HB3 ARG 135 - HG LEU 43 far 0 82 0 - 9.4-11.2 HB2 LEU 100 - HG LEU 119 far 0 56 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 2554 from cnoeabs.peaks (1.90, 1.64, 26.79 ppm; 4.05 A): 2 out of 13 assignments used, quality = 1.00: HB3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 * HB3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ARG 135 - HG2 ARG 84 far 0 100 0 - 5.5-9.9 HB2 ARG 135 - HG3 ARG 84 far 0 100 0 - 5.7-8.6 HB2 GLU 40 - HG LEU 43 far 0 85 0 - 5.8-6.6 HB2 MET 11 - HG3 ARG 84 far 0 85 0 - 6.3-52.9 HB3 LEU 123 - HG LEU 119 far 0 38 0 - 7.3-8.5 HB2 MET 11 - HG LEU 22 far 0 42 0 - 7.6-29.8 HB2 MET 11 - HG2 ARG 84 far 0 85 0 - 7.6-51.8 HB2 PRO 113 - HG LEU 119 far 0 62 0 - 8.1-10.7 HB3 LEU 49 - HG LEU 119 far 0 57 0 - 9.0-10.0 HG2 PRO 113 - HG LEU 119 far 0 33 0 - 9.5-11.8 HB2 ARG 135 - HG LEU 43 far 0 86 0 - 9.7-11.5 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 13 assignments used, quality = 1.00: * HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HD3 ARG 23 - HG LEU 22 far 0 28 0 - 6.1-10.7 HB3 HIS 8 - HG LEU 22 far 0 50 0 - 6.1-37.6 HD2 ARG 23 - HG LEU 22 far 0 28 0 - 6.6-10.8 HB2 HIS 10 - HG3 ARG 23 far 0 52 0 - 6.8-32.8 HB2 HIS 10 - HG LEU 22 far 0 37 0 - 6.9-33.8 HD2 ARG 90 - HG3 ARG 23 far 0 46 0 - 8.8-26.7 HD3 ARG 90 - HG3 ARG 23 far 0 42 0 - 9.2-27.7 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 13 assignments used, quality = 1.00: HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 3.0=100 * HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HD3 ARG 23 - HG LEU 22 far 0 28 0 - 6.1-10.7 HB3 HIS 8 - HG LEU 22 far 0 50 0 - 6.1-37.6 HD2 ARG 23 - HG LEU 22 far 0 28 0 - 6.6-10.8 HB2 HIS 10 - HG3 ARG 23 far 0 52 0 - 6.8-32.8 HB2 HIS 10 - HG LEU 22 far 0 37 0 - 6.9-33.8 HD2 ARG 90 - HG3 ARG 23 far 0 46 0 - 8.8-26.7 HD3 ARG 90 - HG3 ARG 23 far 0 42 0 - 9.2-27.7 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 + HG2 ARG 84 OK 100 100 100 100 2.0-4.7 ~11320=54, 3.7/7094=49...(16) H ASN 85 + HG3 ARG 84 OK 100 100 100 100 3.8-5.1 ~11320=54, 3.7/7093=49...(17) HE ARG 84 + HG3 ARG 84 OK 90 90 100 100 2.1-3.6 3.6=100 HE ARG 84 + HG2 ARG 84 OK 90 90 100 100 2.1-4.0 3.6=100 HD21 ASN 85 + HG3 ARG 84 OK 67 78 95 90 4.3-8.0 ~9807=35, 9799/3.0=28...(14) HD21 ASN 85 + HG2 ARG 84 OK 53 78 75 90 4.2-8.7 ~9807=35, 9799/3.0=28...(14) QE PHE 87 - HG3 ARG 84 poor 10 100 25 40 4.5-10.3 2529/3.9=14, ~9836=11...(6) QE PHE 87 - HG2 ARG 84 poor 9 100 25 36 3.7-9.6 2529/3.9=14, 2.2/9836=12...(5) HD2 HIS 10 - HG LEU 22 far 3 56 5 - 6.6-35.4 HD2 HIS 10 - HG3 ARG 23 far 0 77 0 - 7.6-34.5 HD21 ASN 85 - HG LEU 43 far 0 61 0 - 8.8-12.7 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 1.9-4.0 4.6=100 * H ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.0-4.4 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): 3 out of 24 assignments used, quality = 1.00: HA ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.6 3.9=100 * HA ARG 84 + HG3 ARG 84 OK 100 100 100 100 3.5-4.2 3.9=100 HA LEU 22 + HG LEU 22 OK 41 41 100 100 2.2-3.7 4.3=100 HA LYS 26 - HG3 ARG 23 poor 11 56 20 - 4.2-11.2 HA LYS 19 - HG LEU 22 far 6 42 15 - 4.7-8.7 HA LEU 22 - HG3 ARG 23 far 6 58 10 - 4.7-7.4 HA ALA 28 - HG LEU 22 far 3 53 5 - 4.6-19.5 HA LYS 19 - HG3 ARG 23 far 0 60 0 - 6.3-11.1 HA LYS 26 - HG LEU 22 far 0 39 0 - 6.5-12.8 HA ALA 16 - HG3 ARG 23 far 0 42 0 - 6.5-17.6 HA LYS 31 - HG3 ARG 23 far 0 40 0 - 6.6-20.1 HA ALA 28 - HG3 ARG 23 far 0 73 0 - 6.6-17.9 HA GLN 27 - HG LEU 22 far 0 57 0 - 6.7-16.1 HA GLN 27 - HG3 ARG 23 far 0 78 0 - 6.9-15.2 HB THR 115 - HG LEU 119 far 0 36 0 - 7.0-7.5 HB3 SER 38 - HG LEU 43 far 0 55 0 - 7.2-9.0 HA ALA 34 - HG3 ARG 23 far 0 52 0 - 7.7-20.8 HA ALA 109 - HG LEU 119 far 0 31 0 - 8.1-9.7 HA PHE 87 - HG2 ARG 84 far 0 89 0 - 8.1-9.6 HA ALA 29 - HG LEU 22 far 0 42 0 - 8.5-21.3 HA ALA 29 - HG3 ARG 23 far 0 60 0 - 9.2-18.6 HA ALA 108 - HG LEU 119 far 0 31 0 - 9.2-10.8 HA PHE 87 - HG3 ARG 84 far 0 89 0 - 9.3-10.2 HA LYS 31 - HG LEU 22 far 0 28 0 - 10.0-24.0 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 24 assignments used, quality = 1.00: * HB2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-2.5 3.0=100 HB2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 23 + HG3 ARG 23 OK 68 68 100 100 2.3-3.0 3.0=100 HB3 ARG 135 - HG2 ARG 84 far 0 98 0 - 5.5-9.9 HB3 LYS 19 - HG3 ARG 23 far 0 78 0 - 5.6-11.1 HB3 LEU 103 - HG LEU 119 far 0 52 0 - 5.7-7.1 HB3 LYS 24 - HG LEU 22 far 0 56 0 - 5.9-10.7 HB3 ARG 135 - HG3 ARG 84 far 0 98 0 - 6.0-8.6 HB3 LEU 122 - HG LEU 119 far 0 53 0 - 6.1-7.3 HB3 LYS 26 - HG3 ARG 23 far 0 73 0 - 6.2-12.8 HB3 LYS 24 - HG3 ARG 23 far 0 77 0 - 6.3-8.1 HB3 LYS 31 - HG3 ARG 23 far 0 78 0 - 6.8-19.8 HB3 ARG 23 - HG LEU 22 far 0 49 0 - 6.9-8.7 HB3 LYS 19 - HG LEU 22 far 0 57 0 - 7.2-10.1 HB2 LYS 86 - HG2 ARG 84 far 0 93 0 - 7.2-8.5 HB3 LEU 123 - HG LEU 119 far 0 33 0 - 7.3-8.5 HB ILE 32 - HG3 ARG 23 far 0 74 0 - 7.7-18.1 HB3 LYS 31 - HG LEU 22 far 0 57 0 - 7.8-23.2 HB2 LYS 86 - HG3 ARG 84 far 0 93 0 - 8.2-9.7 HB3 LYS 26 - HG LEU 22 far 0 53 0 - 8.5-15.1 HB2 LYS 36 - HG3 ARG 23 far 0 75 0 - 8.7-21.9 HB2 LYS 86 - HG3 ARG 23 far 0 68 0 - 8.8-27.6 HB3 ARG 135 - HG LEU 43 far 0 82 0 - 9.4-11.2 HB2 LEU 100 - HG LEU 119 far 0 56 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 2563 from cnoeabs.peaks (1.90, 1.64, 26.79 ppm; 4.05 A): 2 out of 13 assignments used, quality = 1.00: * HB3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ARG 135 - HG2 ARG 84 far 0 100 0 - 5.5-9.9 HB2 ARG 135 - HG3 ARG 84 far 0 100 0 - 5.7-8.6 HB2 GLU 40 - HG LEU 43 far 0 85 0 - 5.8-6.6 HB2 MET 11 - HG3 ARG 84 far 0 85 0 - 6.3-52.9 HB3 LEU 123 - HG LEU 119 far 0 38 0 - 7.3-8.5 HB2 MET 11 - HG LEU 22 far 0 42 0 - 7.6-29.8 HB2 MET 11 - HG2 ARG 84 far 0 85 0 - 7.6-51.8 HB2 PRO 113 - HG LEU 119 far 0 62 0 - 8.1-10.7 HB3 LEU 49 - HG LEU 119 far 0 57 0 - 9.0-10.0 HG2 PRO 113 - HG LEU 119 far 0 33 0 - 9.5-11.8 HB2 ARG 135 - HG LEU 43 far 0 86 0 - 9.7-11.5 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 13 assignments used, quality = 1.00: HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HD3 ARG 23 - HG LEU 22 far 0 28 0 - 6.1-10.7 HB3 HIS 8 - HG LEU 22 far 0 50 0 - 6.1-37.6 HD2 ARG 23 - HG LEU 22 far 0 28 0 - 6.6-10.8 HB2 HIS 10 - HG3 ARG 23 far 0 52 0 - 6.8-32.8 HB2 HIS 10 - HG LEU 22 far 0 37 0 - 6.9-33.8 HD2 ARG 90 - HG3 ARG 23 far 0 46 0 - 8.8-26.7 HD3 ARG 90 - HG3 ARG 23 far 0 42 0 - 9.2-27.7 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 13 assignments used, quality = 1.00: HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HD3 ARG 23 - HG LEU 22 far 0 28 0 - 6.1-10.7 HB3 HIS 8 - HG LEU 22 far 0 50 0 - 6.1-37.6 HD2 ARG 23 - HG LEU 22 far 0 28 0 - 6.6-10.8 HB2 HIS 10 - HG3 ARG 23 far 0 52 0 - 6.8-32.8 HB2 HIS 10 - HG LEU 22 far 0 37 0 - 6.9-33.8 HD2 ARG 90 - HG3 ARG 23 far 0 46 0 - 8.8-26.7 HD3 ARG 90 - HG3 ARG 23 far 0 42 0 - 9.2-27.7 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 + HG2 ARG 84 OK 100 100 100 100 2.0-4.7 ~11320=54, 3.7/7094=49...(16) * H ASN 85 + HG3 ARG 84 OK 100 100 100 100 3.8-5.1 ~11320=54, 3.7/7093=49...(17) HE ARG 84 + HG3 ARG 84 OK 90 90 100 100 2.1-3.6 3.6=100 HE ARG 84 + HG2 ARG 84 OK 90 90 100 100 2.1-4.0 3.6=100 HD21 ASN 85 + HG3 ARG 84 OK 67 78 95 90 4.3-8.0 ~9807=35, 9799/3.0=28...(14) HD21 ASN 85 + HG2 ARG 84 OK 53 78 75 90 4.2-8.7 ~9807=35, 9799/3.0=28...(14) QE PHE 87 - HG3 ARG 84 poor 10 100 25 40 4.5-10.3 2529/3.9=14, ~9836=11...(6) QE PHE 87 - HG2 ARG 84 poor 9 100 25 36 3.7-9.6 2529/3.9=14, 2.2/9836=12...(5) HD2 HIS 10 - HG LEU 22 far 3 56 5 - 6.6-35.4 HD2 HIS 10 - HG3 ARG 23 far 0 77 0 - 7.6-34.5 HD21 ASN 85 - HG LEU 43 far 0 61 0 - 8.8-12.7 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 2.3-5.4 7091/4.0=75, 2542/4.0=71...(21) H ARG 84 + HD3 ARG 84 OK 95 100 95 100 2.4-5.5 7091/4.0=75, 2542/4.0=71...(21) 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 2.4-4.8 5.0=75, 11859/2.9=55...(32) * HA ARG 84 + HD2 ARG 84 OK 95 100 95 100 2.3-5.1 5.0=75, 11859/2.9=55...(32) HA PHE 87 - HD2 ARG 84 far 0 89 0 - 7.2-11.3 HA PHE 87 - HD3 ARG 84 far 0 89 0 - 7.4-11.0 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 + HD2 ARG 84 OK 100 100 100 100 2.8-4.2 4.0=95, 1.8/2572=40...(25) HB2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.8-4.2 4.0=95, 1.8/2572=40...(25) HB3 ARG 135 - HD2 ARG 84 far 5 98 5 - 4.3-9.8 HB3 ARG 135 - HD3 ARG 84 far 0 98 0 - 5.7-10.2 HB2 LYS 86 - HD2 ARG 84 far 0 93 0 - 7.1-10.8 HB2 LYS 86 - HD3 ARG 84 far 0 93 0 - 7.2-10.5 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 6 assignments used, quality = 1.00: HB3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.1-3.7 4.0=93, 2548/1.8=39...(25) * HB3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.4-3.6 4.0=93, 2549/1.8=39...(25) HB2 ARG 135 - HD2 ARG 84 far 5 100 5 - 4.2-9.9 HB2 ARG 135 - HD3 ARG 84 far 0 100 0 - 5.5-10.1 HB2 MET 11 - HD3 ARG 84 far 0 85 0 - 6.5-52.9 HB2 MET 11 - HD2 ARG 84 far 0 85 0 - 6.9-51.1 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: * HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 88 - HD2 ARG 84 far 0 73 0 - 3.9-8.5 QB ALA 88 - HD3 ARG 84 far 0 73 0 - 4.4-8.5 HD3 LYS 86 - HD3 ARG 84 far 0 78 0 - 8.0-11.8 HD3 LYS 86 - HD2 ARG 84 far 0 78 0 - 8.0-11.7 HD2 LYS 86 - HD2 ARG 84 far 0 78 0 - 9.6-13.1 HD2 LYS 86 - HD3 ARG 84 far 0 78 0 - 9.7-13.0 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: HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 88 - HD2 ARG 84 far 0 73 0 - 3.9-8.5 QB ALA 88 - HD3 ARG 84 far 0 73 0 - 4.4-8.5 HD3 LYS 86 - HD3 ARG 84 far 0 78 0 - 8.0-11.8 HD3 LYS 86 - HD2 ARG 84 far 0 78 0 - 8.0-11.7 HD2 LYS 86 - HD2 ARG 84 far 0 78 0 - 9.6-13.1 HD2 LYS 86 - HD3 ARG 84 far 0 78 0 - 9.7-13.0 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): 2 out of 8 assignments used, quality = 0.99: HE ARG 84 + HD3 ARG 84 OK 90 90 100 100 2.3-2.9 2.9=100 HE ARG 84 + HD2 ARG 84 OK 90 90 100 100 2.3-2.9 2.9=100 ! H ASN 85 - HD2 ARG 84 poor 16 100 20 80 3.4-6.6 3.6/2579=24, 4.7/2572=22...(10) QE PHE 87 - HD2 ARG 84 far 15 100 15 - 3.0-10.8 QE PHE 87 - HD3 ARG 84 far 15 100 15 - 3.4-10.1 H ASN 85 - HD3 ARG 84 far 10 100 10 - 2.9-6.3 HD21 ASN 85 - HD2 ARG 84 far 4 78 5 - 3.1-9.9 HD21 ASN 85 - HD3 ARG 84 far 4 78 5 - 4.4-8.7 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 2.3-5.4 7091/4.0=75, 2542/4.0=71...(21) * H ARG 84 + HD3 ARG 84 OK 95 100 95 100 2.4-5.5 7091/4.0=75, 2542/4.0=71...(21) 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 2.4-4.8 5.0=75, 11859/2.9=55...(32) HA ARG 84 + HD2 ARG 84 OK 95 100 95 100 2.3-5.1 5.0=75, 11859/2.9=55...(32) HA PHE 87 - HD2 ARG 84 far 0 89 0 - 7.2-11.3 HA PHE 87 - HD3 ARG 84 far 0 89 0 - 7.4-11.0 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 + HD2 ARG 84 OK 100 100 100 100 2.8-4.2 4.0=95, 1.8/2572=40...(25) * HB2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.8-4.2 4.0=95, 1.8/2572=40...(25) HB3 ARG 135 - HD2 ARG 84 far 5 98 5 - 4.3-9.8 HB3 ARG 135 - HD3 ARG 84 far 0 98 0 - 5.7-10.2 HB2 LYS 86 - HD2 ARG 84 far 0 93 0 - 7.1-10.8 HB2 LYS 86 - HD3 ARG 84 far 0 93 0 - 7.2-10.5 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 6 assignments used, quality = 1.00: * HB3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.1-3.7 4.0=93, 2548/1.8=39...(25) HB3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.4-3.6 4.0=93, 2549/1.8=39...(25) HB2 ARG 135 - HD2 ARG 84 far 5 100 5 - 4.2-9.9 HB2 ARG 135 - HD3 ARG 84 far 0 100 0 - 5.5-10.1 HB2 MET 11 - HD3 ARG 84 far 0 85 0 - 6.5-52.9 HB2 MET 11 - HD2 ARG 84 far 0 85 0 - 6.9-51.1 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: HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 3.0=100 * HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 88 - HD2 ARG 84 far 0 73 0 - 3.9-8.5 QB ALA 88 - HD3 ARG 84 far 0 73 0 - 4.4-8.5 HD3 LYS 86 - HD3 ARG 84 far 0 78 0 - 8.0-11.8 HD3 LYS 86 - HD2 ARG 84 far 0 78 0 - 8.0-11.7 HD2 LYS 86 - HD2 ARG 84 far 0 78 0 - 9.6-13.1 HD2 LYS 86 - HD3 ARG 84 far 0 78 0 - 9.7-13.0 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: HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 88 - HD2 ARG 84 far 0 73 0 - 3.9-8.5 QB ALA 88 - HD3 ARG 84 far 0 73 0 - 4.4-8.5 HD3 LYS 86 - HD3 ARG 84 far 0 78 0 - 8.0-11.8 HD3 LYS 86 - HD2 ARG 84 far 0 78 0 - 8.0-11.7 HD2 LYS 86 - HD2 ARG 84 far 0 78 0 - 9.6-13.1 HD2 LYS 86 - HD3 ARG 84 far 0 78 0 - 9.7-13.0 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): 2 out of 8 assignments used, quality = 0.99: HE ARG 84 + HD3 ARG 84 OK 90 90 100 100 2.3-2.9 2.9=100 HE ARG 84 + HD2 ARG 84 OK 90 90 100 100 2.3-2.9 2.9=100 H ASN 85 - HD2 ARG 84 poor 16 100 20 80 3.4-6.6 3.6/2579=24, 4.7/2572=22...(10) QE PHE 87 - HD2 ARG 84 far 15 100 15 - 3.0-10.8 QE PHE 87 - HD3 ARG 84 far 15 100 15 - 3.4-10.1 ! H ASN 85 - HD3 ARG 84 far 10 100 10 - 2.9-6.3 HD21 ASN 85 - HD2 ARG 84 far 4 78 5 - 3.1-9.9 HD21 ASN 85 - HD3 ARG 84 far 4 78 5 - 4.4-8.7 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 2.3-3.0 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 2 assignments used, quality = 1.00: * HB3 ASN 85 + HA ASN 85 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ASN 13 - HA ASN 85 far 0 99 0 - 8.9-45.9 Violated in 0 structures by 0.00 A. Peak 2595 from cnoeabs.peaks (1.66, 4.81, 54.84 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: * QB ALA 88 + HA ASN 85 OK 100 100 100 100 2.3-3.1 2750=100, 7185/7174=100...(16) HG3 ARG 84 + HA ASN 85 OK 73 73 100 99 4.7-6.6 3.0/11320=76, ~2541=31...(19) HG2 ARG 84 + HA ASN 85 OK 73 73 100 99 3.0-6.5 3.0/11320=76, ~2541=31...(19) HD3 LYS 86 - HA ASN 85 far 0 100 0 - 8.0-8.4 HD2 LYS 86 - HA ASN 85 far 0 100 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 2596 from cnoeabs.peaks (7.27, 2.69, 37.63 ppm; 6.18 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 85 + HB2 ASN 85 OK 100 100 100 100 2.3-3.6 3.6=100 HD21 ASN 85 + HB2 ASN 85 OK 78 78 100 100 2.5-4.0 3.5=100 HE ARG 84 - HB2 ASN 85 far 9 90 10 - 5.0-10.4 QE PHE 87 - HB2 ASN 85 far 0 100 0 - 6.8-10.6 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 2.3-3.0 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 2 assignments used, quality = 1.00: * HB3 ASN 85 + HB2 ASN 85 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 13 - HB2 ASN 85 far 0 99 0 - 7.6-45.3 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 2.5-4.0 3.5=100 H ASN 85 + HB2 ASN 85 OK 78 78 100 100 2.3-3.6 3.6=100 HE ARG 84 - HB2 ASN 85 far 5 99 5 - 5.0-10.4 QE PHE 87 - HB2 ASN 85 far 0 73 0 - 6.8-10.6 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 2.3-3.6 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): 2 out of 4 assignments used, quality = 1.00: * H ASN 85 + HB3 ASN 85 OK 100 100 100 100 2.5-3.6 3.6=100 HD21 ASN 85 + HB3 ASN 85 OK 78 78 100 100 2.6-4.1 3.5=100 HE ARG 84 - HB3 ASN 85 far 9 90 10 - 5.6-10.0 QE PHE 87 - HB3 ASN 85 far 0 100 0 - 7.0-10.6 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 2.6-3.0 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 2.6-4.1 3.5=100 H ASN 85 + HB3 ASN 85 OK 78 78 100 100 2.5-3.6 3.6=100 HE ARG 84 - HB3 ASN 85 far 5 99 5 - 5.6-10.0 QE PHE 87 - HB3 ASN 85 far 0 73 0 - 7.0-10.6 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 2.2-3.6 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 2 assignments used, quality = 1.00: * H LYS 86 + HB3 ASN 85 OK 100 100 100 100 2.6-3.7 4.4=100 H GLY 14 - HB3 ASN 85 far 0 68 0 - 9.1-44.7 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 2 assignments used, quality = 1.00: * H LYS 86 + HA LYS 86 OK 100 100 100 100 2.7-2.8 2.9=100 H GLY 17 - HA LYS 86 far 0 83 0 - 9.9-39.8 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 4 assignments used, quality = 1.00: * HB2 LYS 86 + HA LYS 86 OK 100 100 100 100 2.5-2.9 3.0=100 HB2 ARG 84 - HA LYS 86 far 0 93 0 - 7.5-8.5 HB3 ARG 135 - HA LYS 86 far 0 76 0 - 8.2-9.6 HB3 LYS 19 - HA LYS 86 far 0 89 0 - 9.7-37.1 Violated in 0 structures by 0.00 A. Peak 2613 from cnoeabs.peaks (1.95, 3.89, 60.84 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 86 + HA LYS 86 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 ARG 90 - HA LYS 86 far 0 100 0 - 6.4-7.0 HB3 PRO 81 - HA LYS 86 far 0 97 0 - 8.5-10.1 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 4 assignments used, quality = 1.00: * HG2 LYS 86 + HA LYS 86 OK 100 100 100 100 2.1-2.9 3.7=100 QB ALA 92 - HA LYS 86 far 0 98 0 - 7.5-8.1 HG3 LYS 19 - HA LYS 86 far 0 76 0 - 8.6-38.1 QB ALA 34 - HA LYS 86 far 0 100 0 - 9.8-11.7 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 2.1-3.4 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): 3 out of 6 assignments used, quality = 1.00: * HD2 LYS 86 + HA LYS 86 OK 100 100 100 100 4.4-4.8 5.5=100 HD3 LYS 86 + HA LYS 86 OK 100 100 100 100 4.4-4.6 5.5=100 QB ALA 88 + HA LYS 86 OK 100 100 100 100 5.2-5.6 2750/4.9=87...(15) HG2 ARG 84 - HA LYS 86 far 0 78 0 - 7.1-8.9 HG3 ARG 84 - HA LYS 86 far 0 78 0 - 8.6-9.8 HD3 LYS 19 - HA LYS 86 far 0 97 0 - 9.7-39.5 Violated in 0 structures by 0.00 A. Peak 2617 from cnoeabs.peaks (1.66, 3.89, 60.84 ppm; 6.02 A): 3 out of 6 assignments used, quality = 1.00: HD2 LYS 86 + HA LYS 86 OK 100 100 100 100 4.4-4.8 5.5=100 * HD3 LYS 86 + HA LYS 86 OK 100 100 100 100 4.4-4.6 5.5=100 QB ALA 88 + HA LYS 86 OK 100 100 100 100 5.2-5.6 2750/4.9=87...(15) HG2 ARG 84 - HA LYS 86 far 0 78 0 - 7.1-8.9 HG3 ARG 84 - HA LYS 86 far 0 78 0 - 8.6-9.8 HD3 LYS 19 - HA LYS 86 far 0 97 0 - 9.7-39.5 Violated in 0 structures by 0.00 A. Peak 2620 from cnoeabs.peaks (8.12, 3.89, 60.84 ppm; 5.85 A): 2 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 76 98 80 97 6.1-6.6 7223/7205=73...(6) H VAL 133 - HA LYS 86 far 0 60 0 - 7.8-8.2 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 3.3-3.7 7190=100, 9869/9727=68...(15) 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 2.5-3.6 2765=100, 2.7/11327=83...(13) HB3 PHE 89 + HA LYS 86 OK 85 85 100 100 2.2-2.6 1.8/2765=95...(13) HB3 CYS 73 - HA LYS 86 far 0 99 0 - 7.9-8.7 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 2.2-2.6 1.8/2765=95, 2774=86...(13) HB2 PHE 89 + HA LYS 86 OK 85 85 100 100 2.5-3.6 2.7/11327=83...(13) HB3 CYS 73 - HA LYS 86 far 0 96 0 - 7.9-8.7 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 2.5-4.2 2511=100, 2636/1.8=99...(19) HA VAL 133 - HB2 LYS 86 far 0 81 0 - 7.9-9.8 HA THR 83 - HB3 LYS 19 far 0 69 0 - 8.6-36.7 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 16 assignments used, quality = 1.00: * H LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.3-3.5 4.0=100 H LYS 19 + HB3 LYS 19 OK 64 64 100 100 3.5-3.6 3.9=100 H LYS 24 + HB3 LYS 24 OK 30 30 100 100 2.7-3.9 4.1=96, 3.0/482=63...(19) H LYS 24 - HB3 LYS 19 far 0 34 0 - 4.8-11.3 H GLY 17 - HB3 LYS 19 far 0 50 0 - 4.9-9.0 H LYS 24 - HB3 LYS 31 far 0 34 0 - 5.6-19.3 H LYS 26 - HB3 LYS 31 far 0 32 0 - 5.8-14.3 H LYS 26 - HB3 LYS 24 far 0 28 0 - 6.0-7.0 H ALA 28 - HB3 LYS 31 far 0 60 0 - 6.5-8.8 H GLY 17 - HB2 LYS 86 far 0 83 0 - 7.3-38.8 H ALA 28 - HB3 LYS 24 far 0 54 0 - 7.4-12.9 H LYS 26 - HB3 LYS 19 far 0 32 0 - 7.6-16.8 H LYS 19 - HB3 LYS 31 far 0 64 0 - 7.8-25.7 H GLY 14 - HB2 LYS 86 far 0 68 0 - 7.9-40.3 H LYS 19 - HB3 LYS 24 far 0 58 0 - 8.3-15.4 H GLY 14 - HB3 LYS 19 far 0 39 0 - 8.9-18.1 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 7 assignments used, quality = 1.00: * HA LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.5-2.9 3.0=100 HB2 SER 33 - HB3 LYS 31 far 0 43 0 - 7.2-8.3 HA3 GLY 75 - HB3 LYS 19 far 0 56 0 - 8.3-29.9 HA LEU 70 - HB3 LYS 24 far 0 60 0 - 8.9-27.1 HA3 GLY 75 - HB3 LYS 24 far 0 50 0 - 9.1-19.7 HA LYS 86 - HB3 LYS 19 far 0 69 0 - 9.7-37.1 HB2 SER 94 - HB2 LYS 86 far 0 92 0 - 9.7-12.5 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 12 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 far 0 68 0 - 4.1-4.9 HB2 GLN 27 - HB3 LYS 31 far 0 63 0 - 5.3-11.0 HB3 ARG 90 - HB2 LYS 86 far 0 100 0 - 6.4-8.7 HB2 GLN 27 - HB3 LYS 24 far 0 57 0 - 7.3-12.4 HB2 GLN 27 - HB3 LYS 19 far 0 64 0 - 7.6-19.8 HB3 PRO 81 - HB3 LYS 19 far 0 64 0 - 8.2-37.1 HB3 ARG 90 - HB3 LYS 19 far 0 68 0 - 8.2-37.6 HB2 GLU 30 - HB3 LYS 19 far 0 69 0 - 8.4-23.5 HB3 PRO 81 - HB2 LYS 86 far 0 97 0 - 8.4-11.1 HB2 GLU 30 - HB3 LYS 24 far 0 61 0 - 8.6-16.7 HB3 LYS 86 - HB3 LYS 19 far 0 69 0 - 9.6-36.6 Violated in 0 structures by 0.00 A. Peak 2629 from cnoeabs.peaks (1.42, 1.79, 32.72 ppm; 3.93 A): 4 out of 24 assignments used, quality = 1.00: * HG2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.3-2.7 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 48 48 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HB3 LYS 19 OK 45 45 100 100 2.2-2.2 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 36 36 100 100 2.4-2.7 2.9=100 HG2 LYS 26 - HB3 LYS 31 far 6 61 10 - 3.5-12.8 HG13 ILE 32 - HB3 LYS 31 far 0 53 0 - 5.5-6.8 HG2 LYS 31 - HB3 LYS 19 far 0 48 0 - 5.6-22.9 HG3 LYS 24 - HB3 LYS 19 far 0 41 0 - 5.6-13.8 HG3 LYS 19 - HB3 LYS 31 far 0 44 0 - 6.3-24.1 QB ALA 16 - HB3 LYS 31 far 0 56 0 - 6.4-24.2 QB ALA 16 - HB3 LYS 19 far 0 56 0 - 6.6-10.0 QB ALA 34 - HB3 LYS 19 far 0 68 0 - 6.8-21.7 QB ALA 34 - HB3 LYS 24 far 0 61 0 - 7.1-14.4 HG2 LYS 26 - HB3 LYS 24 far 0 55 0 - 7.5-10.2 HG3 LYS 19 - HB2 LYS 86 far 0 76 0 - 7.6-37.3 HG3 LYS 19 - HB3 LYS 24 far 0 39 0 - 7.9-15.5 HG2 LYS 86 - HB3 LYS 19 far 0 69 0 - 8.2-35.0 HG3 LYS 24 - HB3 LYS 31 far 0 41 0 - 8.8-21.0 QB ALA 16 - HB2 LYS 86 far 0 90 0 - 8.9-35.5 QB ALA 92 - HB2 LYS 86 far 0 98 0 - 9.0-9.9 HG2 LYS 31 - HB3 LYS 24 far 0 43 0 - 9.1-21.2 QB ALA 34 - HB3 LYS 31 far 0 68 0 - 9.3-10.0 HG2 LYS 26 - HB3 LYS 19 far 0 61 0 - 9.5-18.7 HG13 ILE 32 - HB3 LYS 24 far 0 47 0 - 10.0-14.3 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 5 assignments used, quality = 1.00: * HG3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.9-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 30 30 100 100 2.4-2.7 2.9=100 HG3 LYS 24 - HB3 LYS 19 far 0 34 0 - 5.6-13.8 HG3 LYS 86 - HB3 LYS 19 far 0 69 0 - 8.1-35.0 HG3 LYS 24 - HB3 LYS 31 far 0 34 0 - 8.8-21.0 Violated in 0 structures by 0.00 A. Peak 2631 from cnoeabs.peaks (1.66, 1.79, 32.72 ppm; 4.27 A): 8 out of 31 assignments used, quality = 1.00: HD3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.5-2.9 3.5=100 * HD2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 3.5-3.8 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 68 68 100 100 2.1-4.1 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 68 68 100 100 2.0-3.8 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 64 64 100 100 3.3-4.2 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 64 64 100 100 3.5-4.1 3.9=100 HD3 LYS 24 + HB3 LYS 24 OK 61 61 100 100 2.1-3.7 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 61 61 100 100 2.5-4.2 3.5=100 HD3 LYS 26 - HB3 LYS 31 far 7 68 10 - 3.5-10.7 HD3 LYS 31 - HB3 LYS 19 far 3 69 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 19 far 3 68 5 - 3.4-23.3 HD2 LYS 26 - HB3 LYS 31 far 3 68 5 - 4.7-11.2 QB ALA 88 - HB2 LYS 86 far 0 100 0 - 6.3-6.9 HD3 LYS 24 - HB3 LYS 19 far 0 69 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 68 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 69 0 - 6.8-32.9 HG2 ARG 84 - HB2 LYS 86 far 0 78 0 - 7.2-8.5 HD3 LYS 86 - HB3 LYS 19 far 0 69 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 63 0 - 8.1-26.2 HG3 ARG 84 - HB2 LYS 86 far 0 78 0 - 8.2-9.7 HD3 LYS 19 - HB2 LYS 86 far 0 97 0 - 8.4-38.5 HD2 LYS 19 - HB3 LYS 31 far 0 63 0 - 8.4-26.6 HD3 LYS 26 - HB3 LYS 24 far 0 61 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 57 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 61 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 62 0 - 9.3-10.5 HD2 LYS 19 - HB2 LYS 86 far 0 97 0 - 9.3-38.4 HD3 LYS 26 - HB3 LYS 19 far 0 69 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 69 0 - 9.5-19.2 HD3 LYS 19 - HB3 LYS 24 far 0 57 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 68 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 2632 from cnoeabs.peaks (1.66, 1.79, 32.72 ppm; 4.27 A): 8 out of 31 assignments used, quality = 1.00: * HD3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.5-2.9 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 3.5-3.8 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 68 68 100 100 2.1-4.1 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 68 68 100 100 2.0-3.8 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 64 64 100 100 3.3-4.2 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 64 64 100 100 3.5-4.1 3.9=100 HD3 LYS 24 + HB3 LYS 24 OK 61 61 100 100 2.1-3.7 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 61 61 100 100 2.5-4.2 3.5=100 HD3 LYS 26 - HB3 LYS 31 far 7 68 10 - 3.5-10.7 HD3 LYS 31 - HB3 LYS 19 far 3 69 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 19 far 3 68 5 - 3.4-23.3 HD2 LYS 26 - HB3 LYS 31 far 3 68 5 - 4.7-11.2 QB ALA 88 - HB2 LYS 86 far 0 100 0 - 6.3-6.9 HD3 LYS 24 - HB3 LYS 19 far 0 69 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 68 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 69 0 - 6.8-32.9 HG2 ARG 84 - HB2 LYS 86 far 0 78 0 - 7.2-8.5 HD3 LYS 86 - HB3 LYS 19 far 0 69 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 63 0 - 8.1-26.2 HG3 ARG 84 - HB2 LYS 86 far 0 78 0 - 8.2-9.7 HD3 LYS 19 - HB2 LYS 86 far 0 97 0 - 8.4-38.5 HD2 LYS 19 - HB3 LYS 31 far 0 63 0 - 8.4-26.6 HD3 LYS 26 - HB3 LYS 24 far 0 61 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 57 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 61 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 62 0 - 9.3-10.5 HD2 LYS 19 - HB2 LYS 86 far 0 97 0 - 9.3-38.4 HD3 LYS 26 - HB3 LYS 19 far 0 69 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 69 0 - 9.5-19.2 HD3 LYS 19 - HB3 LYS 24 far 0 57 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 68 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 2634 from cnoeabs.peaks (2.96, 1.79, 32.72 ppm; 6.80 A): 7 out of 27 assignments used, quality = 1.00: * HE3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 1.8-3.6 4.9=100 HE2 LYS 19 + HB3 LYS 19 OK 69 69 100 100 3.3-5.4 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 67 67 100 100 3.2-5.4 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 67 67 100 100 2.0-5.3 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 65 65 100 100 2.2-5.0 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 61 61 100 100 2.4-4.6 5.1=100 HE2 LYS 24 + HB3 LYS 24 OK 61 61 100 100 2.0-5.0 5.1=100 HE3 LYS 26 - HB3 LYS 31 far 10 65 15 - 6.0-13.3 HE2 LYS 26 - HB3 LYS 31 far 10 65 15 - 6.3-12.4 HE3 LYS 19 - HB2 LYS 86 far 5 100 5 - 7.1-39.5 HE3 LYS 24 - HB3 LYS 19 far 3 68 5 - 5.6-14.9 HE3 LYS 86 - HB3 LYS 19 far 3 69 5 - 6.9-34.7 HE2 LYS 24 - HB3 LYS 19 far 3 68 5 - 6.7-14.4 HE2 LYS 31 - HB3 LYS 19 far 3 67 5 - 5.6-25.7 HE3 LYS 31 - HB3 LYS 19 far 3 65 5 - 4.9-25.2 HE3 LYS 26 - HB3 LYS 19 far 3 65 5 - 7.3-19.5 HE3 LYS 26 - HB3 LYS 24 far 0 58 0 - 7.5-10.1 HE2 LYS 26 - HB3 LYS 19 far 0 65 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 67 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 68 0 - 8.2-25.8 HE2 LYS 19 - HB2 LYS 86 far 0 100 0 - 8.2-39.5 HE2 LYS 26 - HB3 LYS 24 far 0 58 0 - 8.3-11.3 HE3 LYS 19 - HB3 LYS 24 far 0 60 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 68 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 61 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 67 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 68 0 - 9.4-12.3 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 11 assignments used, quality = 1.00: * H PHE 87 + HB2 LYS 86 OK 100 100 100 100 2.4-3.7 4.6=100 H THR 25 + HB3 LYS 24 OK 54 54 100 100 1.9-3.2 4.7=100 H ILE 32 + HB3 LYS 31 OK 43 43 100 100 4.3-4.5 4.6=100 H THR 25 - HB3 LYS 19 far 3 60 5 - 4.1-14.1 H GLU 91 - HB2 LYS 86 far 0 98 0 - 6.6-8.5 H THR 25 - HB3 LYS 31 far 0 60 0 - 7.2-17.0 H ALA 15 - HB2 LYS 86 far 0 68 0 - 7.8-38.7 H ILE 32 - HB3 LYS 19 far 0 43 0 - 8.5-23.5 H ALA 15 - HB3 LYS 19 far 0 39 0 - 8.8-15.2 H ASP 71 - HB3 LYS 24 far 0 43 0 - 9.2-26.4 H VAL 133 - HB2 LYS 86 far 0 60 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 2636 from cnoeabs.peaks (3.75, 1.95, 32.72 ppm; 4.64 A): 1 out of 8 assignments used, quality = 1.00: * HA THR 83 + HB3 LYS 86 OK 100 100 100 100 2.0-3.0 2624/1.8=87, 2512=85...(19) HB2 SER 99 - HB3 LYS 95 poor 18 36 50 - 4.8-6.4 HB2 SER 99 - HB2 LYS 95 far 0 29 0 - 5.6-7.8 HA VAL 133 - HB3 PRO 81 far 0 65 0 - 6.7-7.5 HA THR 83 - HB3 PRO 81 far 0 88 0 - 7.1-8.5 HA GLU 97 - HB3 LYS 95 far 0 33 0 - 7.5-8.1 HA GLU 97 - HB2 LYS 95 far 0 27 0 - 7.5-8.0 HA VAL 133 - HB3 LYS 86 far 0 81 0 - 8.3-9.2 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 6 assignments used, quality = 1.00: * H LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.1-2.7 4.0=100 H GLY 14 - HB3 PRO 81 far 0 53 0 - 6.4-44.7 H LYS 86 - HB3 PRO 81 far 0 88 0 - 7.3-8.9 H GLY 14 - HB3 LYS 86 far 0 68 0 - 8.6-41.5 H GLY 17 - HB3 LYS 86 far 0 83 0 - 8.7-39.6 H GLY 14 - HB3 LYS 95 far 0 23 0 - 9.4-45.6 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 5 assignments used, quality = 1.00: * HA LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 SER 94 - HB2 LYS 95 far 0 28 0 - 5.5-6.8 HB2 SER 94 - HB3 LYS 95 far 0 34 0 - 6.4-7.4 HA LYS 86 - HB3 PRO 81 far 0 88 0 - 8.5-10.1 HA LEU 70 - HB2 LYS 95 far 0 33 0 - 10.0-10.3 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 far 0 38 0 - 5.7-7.0 HB2 ARG 84 - HB3 LYS 86 far 0 93 0 - 6.3-7.1 HB3 ARG 135 - HB3 PRO 81 far 0 60 0 - 6.5-8.3 HB3 LEU 98 - HB2 LYS 95 far 0 31 0 - 6.8-7.6 HB3 LEU 122 - HB3 LYS 95 far 0 42 0 - 6.9-9.8 HB2 ARG 84 - HB3 PRO 81 far 0 77 0 - 7.9-9.5 HB3 LEU 122 - HB2 LYS 95 far 0 34 0 - 7.9-10.2 HG LEU 100 - HB3 LYS 95 far 0 31 0 - 8.2-9.5 HB3 LYS 19 - HB3 PRO 81 far 0 72 0 - 8.2-37.1 HB2 LYS 86 - HB3 PRO 81 far 0 88 0 - 8.4-11.1 HB2 LEU 100 - HB3 LYS 95 far 0 22 0 - 8.5-9.6 HG LEU 100 - HB2 LYS 95 far 0 26 0 - 8.6-9.9 HB3 ARG 135 - HB3 LYS 86 far 0 76 0 - 8.9-10.3 HB3 LYS 19 - HB3 LYS 86 far 0 89 0 - 9.6-36.6 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): 2 out of 11 assignments used, quality = 1.00: * HG2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.9-3.0 3.0=100 QB ALA 92 + HB2 LYS 95 OK 32 32 100 100 4.0-4.4 9948=96, 2.1/2896=33...(24) QB ALA 92 - HB3 LYS 95 poor 10 39 25 - 5.0-5.7 HG LEU 96 - HB2 LYS 95 far 0 21 0 - 6.3-6.8 HG LEU 96 - HB3 LYS 95 far 0 26 0 - 6.6-7.6 HG3 LYS 19 - HB3 PRO 81 far 0 60 0 - 7.7-38.3 HG2 LYS 86 - HB3 PRO 81 far 0 88 0 - 8.6-11.1 HG3 LYS 19 - HB3 LYS 86 far 0 76 0 - 8.6-37.8 QB ALA 16 - HB3 PRO 81 far 0 74 0 - 9.0-37.6 QB ALA 92 - HB3 LYS 86 far 0 98 0 - 9.4-10.1 QB ALA 16 - HB3 LYS 86 far 0 90 0 - 9.9-36.1 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 2.2-2.6 3.0=100 HG3 LYS 86 - HB3 PRO 81 far 0 88 0 - 7.4-11.5 Violated in 0 structures by 0.00 A. Peak 2643 from cnoeabs.peaks (1.66, 1.95, 32.72 ppm; 4.56 A): 7 out of 25 assignments used, quality = 1.00: HD3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.4-2.9 3.5=100 * HD2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 3.6-3.9 3.5=100 HD3 LYS 95 + HB3 LYS 95 OK 42 42 100 100 2.4-4.2 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 41 41 100 100 2.1-4.2 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 36 40 90 100 4.3-5.6 3158/3.0=75, ~2963=45...(23) HD3 LYS 95 + HB2 LYS 95 OK 34 34 100 100 2.2-4.0 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 33 33 100 100 2.2-3.5 3.7=100 HB2 LEU 98 - HB2 LYS 95 far 0 33 0 - 5.2-6.1 HG2 ARG 84 - HB3 LYS 86 far 0 78 0 - 6.0-7.3 QB ALA 88 - HB3 LYS 86 far 0 100 0 - 6.0-6.6 HG3 ARG 84 - HB3 LYS 86 far 0 78 0 - 6.8-8.6 HG2 ARG 84 - HB3 PRO 81 far 0 62 0 - 6.8-10.8 HD2 LYS 39 - HB3 PRO 81 far 0 69 0 - 7.6-10.6 HG3 ARG 84 - HB3 PRO 81 far 0 62 0 - 7.7-10.6 HD3 LYS 19 - HB3 LYS 86 far 0 97 0 - 7.9-39.2 QB ALA 88 - HB2 LYS 95 far 0 34 0 - 8.1-9.5 HD2 LYS 19 - HB3 LYS 86 far 0 97 0 - 8.7-39.0 HD2 LYS 86 - HB3 PRO 81 far 0 88 0 - 9.2-11.5 QB ALA 88 - HB3 LYS 95 far 0 41 0 - 9.3-10.7 HD3 LYS 86 - HB3 PRO 81 far 0 88 0 - 9.4-10.8 HD3 LYS 19 - HB3 PRO 81 far 0 82 0 - 9.5-40.2 QB ALA 88 - HB3 PRO 81 far 0 88 0 - 9.5-11.5 HB2 LEU 123 - HB3 LYS 95 far 0 39 0 - 9.5-10.8 HB2 LEU 69 - HB2 LYS 95 far 0 31 0 - 9.6-10.2 HB2 LEU 123 - HB2 LYS 95 far 0 32 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 2644 from cnoeabs.peaks (1.66, 1.95, 32.72 ppm; 4.56 A): 7 out of 25 assignments used, quality = 1.00: * HD3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.4-2.9 3.5=100 HD2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 3.6-3.9 3.5=100 HD3 LYS 95 + HB3 LYS 95 OK 42 42 100 100 2.4-4.2 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 41 41 100 100 2.1-4.2 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 36 40 90 100 4.3-5.6 3158/3.0=75, ~2963=45...(23) HD3 LYS 95 + HB2 LYS 95 OK 34 34 100 100 2.2-4.0 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 33 33 100 100 2.2-3.5 3.7=100 HB2 LEU 98 - HB2 LYS 95 far 0 33 0 - 5.2-6.1 HG2 ARG 84 - HB3 LYS 86 far 0 78 0 - 6.0-7.3 QB ALA 88 - HB3 LYS 86 far 0 100 0 - 6.0-6.6 HG3 ARG 84 - HB3 LYS 86 far 0 78 0 - 6.8-8.6 HG2 ARG 84 - HB3 PRO 81 far 0 62 0 - 6.8-10.8 HD2 LYS 39 - HB3 PRO 81 far 0 69 0 - 7.6-10.6 HG3 ARG 84 - HB3 PRO 81 far 0 62 0 - 7.7-10.6 HD3 LYS 19 - HB3 LYS 86 far 0 97 0 - 7.9-39.2 QB ALA 88 - HB2 LYS 95 far 0 34 0 - 8.1-9.5 HD2 LYS 19 - HB3 LYS 86 far 0 97 0 - 8.7-39.0 HD2 LYS 86 - HB3 PRO 81 far 0 88 0 - 9.2-11.5 QB ALA 88 - HB3 LYS 95 far 0 41 0 - 9.3-10.7 HD3 LYS 86 - HB3 PRO 81 far 0 88 0 - 9.4-10.8 HD3 LYS 19 - HB3 PRO 81 far 0 82 0 - 9.5-40.2 QB ALA 88 - HB3 PRO 81 far 0 88 0 - 9.5-11.5 HB2 LEU 123 - HB3 LYS 95 far 0 39 0 - 9.5-10.8 HB2 LEU 69 - HB2 LYS 95 far 0 31 0 - 9.6-10.2 HB2 LEU 123 - HB2 LYS 95 far 0 32 0 - 9.9-11.5 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 4 assignments used, quality = 1.00: * HE2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 3.4-4.6 4.9=100 HB3 HIS 5 - HB3 LYS 95 far 0 41 0 - 7.5-56.3 HE2 LYS 86 - HB3 PRO 81 far 0 88 0 - 7.7-11.6 HB3 HIS 5 - HB2 LYS 95 far 0 34 0 - 8.9-56.9 Violated in 0 structures by 0.00 A. Peak 2646 from cnoeabs.peaks (2.96, 1.95, 32.72 ppm; 6.16 A): 1 out of 12 assignments used, quality = 1.00: * HE3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.0-3.5 4.9=100 HB3 ASN 121 - HB3 LYS 95 poor 10 34 65 43 5.5-7.6 ~10330=40, 11092/9327=2 HE3 LYS 19 - HB3 LYS 86 far 5 100 5 - 6.2-40.1 HB3 ASN 121 - HB2 LYS 95 far 3 28 10 - 6.6-8.7 HE2 LYS 39 - HB3 PRO 81 far 2 49 5 - 6.7-11.9 HE2 LYS 19 - HB3 LYS 86 far 0 100 0 - 7.3-40.1 HE3 LYS 86 - HB3 PRO 81 far 0 88 0 - 7.4-12.0 HE3 LYS 19 - HB3 PRO 81 far 0 86 0 - 7.5-40.6 HE2 LYS 19 - HB3 PRO 81 far 0 88 0 - 8.2-40.5 HD2 ARG 135 - HB3 PRO 81 far 0 65 0 - 9.2-11.5 HD2 ARG 135 - HB3 LYS 86 far 0 81 0 - 9.6-11.8 HG CYS 73 - HB2 LYS 95 far 0 21 0 - 9.8-11.3 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 10 assignments used, quality = 1.00: * H PHE 87 + HB3 LYS 86 OK 100 100 100 100 2.1-3.2 7157=100, 7156/1.8=92...(21) H GLU 91 - HB2 LYS 95 far 0 32 0 - 6.9-8.5 H GLU 91 - HB3 LYS 86 far 0 98 0 - 7.4-8.4 H ALA 15 - HB3 PRO 81 far 0 53 0 - 7.4-42.4 H ASN 121 - HB3 LYS 95 far 0 41 0 - 7.9-9.0 H GLU 91 - HB3 LYS 95 far 0 39 0 - 8.6-9.6 H ASN 121 - HB2 LYS 95 far 0 33 0 - 8.7-10.2 H ALA 15 - HB3 LYS 86 far 0 68 0 - 9.1-39.7 H VAL 133 - HB3 PRO 81 far 0 47 0 - 9.4-10.3 H VAL 133 - HB3 LYS 86 far 0 60 0 - 9.9-10.6 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 3 assignments used, quality = 1.00: * H LYS 86 + HG2 LYS 86 OK 100 100 100 100 3.7-4.5 4.5=100 H GLY 17 - HG2 LYS 86 far 0 83 0 - 7.8-37.9 H GLY 14 - HG2 LYS 86 far 0 68 0 - 9.9-39.6 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 3 assignments used, quality = 1.00: * HA LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.1-2.9 3.7=100 HA3 GLY 75 - HG2 LYS 86 far 0 90 0 - 9.6-10.2 HB2 SER 94 - HG2 LYS 86 far 0 92 0 - 9.7-11.5 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 5 assignments used, quality = 1.00: * HB2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 LYS 19 - HG2 LYS 86 far 0 89 0 - 8.2-35.0 HB2 ARG 84 - HG2 LYS 86 far 0 93 0 - 8.6-9.6 HB3 ARG 23 - HG2 LYS 86 far 0 63 0 - 9.3-27.8 HB3 ARG 135 - HG2 LYS 86 far 0 76 0 - 9.3-12.1 Violated in 0 structures by 0.00 A. Peak 2651 from cnoeabs.peaks (1.95, 1.42, 25.00 ppm; 4.93 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 ARG 90 - HG2 LYS 86 far 0 100 0 - 6.0-7.7 HB3 PRO 81 - HG2 LYS 86 far 0 97 0 - 8.6-11.1 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 7 assignments used, quality = 1.00: * HD2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.3-2.5 3.0=100 HD3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 88 - HG2 LYS 86 far 0 100 0 - 7.0-7.6 HD3 LYS 19 - HG2 LYS 86 far 0 97 0 - 8.0-37.5 HG2 ARG 84 - HG2 LYS 86 far 0 78 0 - 8.2-10.0 HD2 LYS 19 - HG2 LYS 86 far 0 97 0 - 9.3-37.4 HG3 ARG 84 - HG2 LYS 86 far 0 78 0 - 9.4-11.2 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 7 assignments used, quality = 1.00: HD2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.3-2.5 3.0=100 * HD3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 88 - HG2 LYS 86 far 0 100 0 - 7.0-7.6 HD3 LYS 19 - HG2 LYS 86 far 0 97 0 - 8.0-37.5 HG2 ARG 84 - HG2 LYS 86 far 0 78 0 - 8.2-10.0 HD2 LYS 19 - HG2 LYS 86 far 0 97 0 - 9.3-37.4 HG3 ARG 84 - HG2 LYS 86 far 0 78 0 - 9.4-11.2 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 2.4-3.7 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 2.5-3.7 3.7=100 HE3 LYS 19 - HG2 LYS 86 far 0 100 0 - 6.8-38.5 HE2 LYS 19 - HG2 LYS 86 far 0 100 0 - 8.4-38.3 Violated in 0 structures by 0.00 A. Peak 2658 from cnoeabs.peaks (8.12, 1.42, 25.00 ppm; 6.03 A): 1 out of 4 assignments used, quality = 1.00: * H PHE 87 + HG2 LYS 86 OK 100 100 100 100 4.3-5.0 7158=100, 7157/3.0=99...(20) H GLU 91 - HG2 LYS 86 far 0 98 0 - 6.8-8.1 H VAL 133 - HG2 LYS 86 far 0 60 0 - 9.2-10.8 H ALA 15 - HG2 LYS 86 far 0 68 0 - 9.5-37.9 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 5 assignments used, quality = 1.00: * H LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.9-4.6 4.5=100 H GLY 17 - HG3 LYS 86 far 0 83 0 - 9.3-38.1 H GLY 14 - HG3 LYS 86 far 0 68 0 - 9.3-40.2 H LYS 19 - HG3 LYS 86 far 0 98 0 - 9.5-35.9 H TYR 72 - HG3 LYS 36 far 0 77 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 2660 from cnoeabs.peaks (3.89, 1.47, 25.00 ppm; 5.37 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.1-3.4 3.7=100 HB2 SER 33 - HG3 LYS 36 far 3 64 5 - 5.7-7.1 HA ALA 41 - HG3 LYS 36 far 0 69 0 - 7.4-8.7 HA3 GLY 75 - HG3 LYS 36 far 0 81 0 - 8.8-10.2 HB2 SER 94 - HG3 LYS 86 far 0 92 0 - 9.4-13.2 HA3 GLY 75 - HG3 LYS 86 far 0 90 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 2661 from cnoeabs.peaks (1.79, 1.47, 25.00 ppm; 4.16 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 LYS 36 + HG3 LYS 36 OK 69 69 100 100 2.2-2.9 3.0=100 HB2 ARG 84 - HG3 LYS 86 far 0 93 0 - 7.4-9.3 HB ILE 32 - HG3 LYS 36 far 0 67 0 - 7.4-8.7 HB3 LYS 19 - HG3 LYS 86 far 0 89 0 - 8.1-35.0 HB3 ARG 135 - HG3 LYS 86 far 0 76 0 - 9.0-12.1 HB3 ARG 23 - HG3 LYS 86 far 0 63 0 - 9.3-27.9 Violated in 0 structures by 0.00 A. Peak 2662 from cnoeabs.peaks (1.95, 1.47, 25.00 ppm; 4.95 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.2-2.6 3.0=100 HB3 ARG 90 - HG3 LYS 86 far 0 100 0 - 5.6-9.2 HB ILE 37 - HG3 LYS 36 far 0 86 0 - 6.6-6.8 HB3 PRO 81 - HG3 LYS 86 far 0 97 0 - 7.4-11.5 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 7 assignments used, quality = 1.00: * HG2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 34 - HG3 LYS 36 far 0 94 0 - 7.4-7.6 HG3 LYS 19 - HG3 LYS 86 far 0 76 0 - 7.5-36.1 QB ALA 34 - HG3 LYS 86 far 0 100 0 - 8.2-11.3 QB ALA 92 - HG3 LYS 86 far 0 98 0 - 8.9-10.7 HG13 ILE 32 - HG3 LYS 36 far 0 77 0 - 9.7-10.9 QB ALA 16 - HG3 LYS 86 far 0 90 0 - 9.9-34.9 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 13 assignments used, quality = 1.00: * HD2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-2.6 3.0=100 HD3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 88 88 100 100 2.7-2.9 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 88 88 100 100 2.8-3.0 3.0=100 HD3 LYS 19 - HG3 LYS 86 far 0 97 0 - 6.8-37.6 QB ALA 88 - HG3 LYS 86 far 0 100 0 - 7.0-7.8 HG2 ARG 84 - HG3 LYS 86 far 0 78 0 - 7.2-9.7 HD2 LYS 19 - HG3 LYS 86 far 0 97 0 - 8.0-37.5 HG3 ARG 84 - HG3 LYS 86 far 0 78 0 - 8.1-10.9 HD3 LYS 26 - HG3 LYS 36 far 0 94 0 - 8.3-14.1 HD2 LYS 26 - HG3 LYS 36 far 0 94 0 - 8.6-12.6 HD3 LYS 31 - HG3 LYS 36 far 0 94 0 - 9.4-14.3 HD2 LYS 31 - HG3 LYS 36 far 0 94 0 - 9.5-14.0 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 13 assignments used, quality = 1.00: HD2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-2.6 3.0=100 * HD3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 88 88 100 100 2.7-2.9 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 88 88 100 100 2.8-3.0 3.0=100 HD3 LYS 19 - HG3 LYS 86 far 0 97 0 - 6.8-37.6 QB ALA 88 - HG3 LYS 86 far 0 100 0 - 7.0-7.8 HG2 ARG 84 - HG3 LYS 86 far 0 78 0 - 7.2-9.7 HD2 LYS 19 - HG3 LYS 86 far 0 97 0 - 8.0-37.5 HG3 ARG 84 - HG3 LYS 86 far 0 78 0 - 8.1-10.9 HD3 LYS 26 - HG3 LYS 36 far 0 94 0 - 8.3-14.1 HD2 LYS 26 - HG3 LYS 36 far 0 94 0 - 8.6-12.6 HD3 LYS 31 - HG3 LYS 36 far 0 94 0 - 9.4-14.3 HD2 LYS 31 - HG3 LYS 36 far 0 94 0 - 9.5-14.0 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 2.6-4.1 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 9 assignments used, quality = 1.00: * HE3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-3.8 3.7=100 HE3 LYS 36 + HG3 LYS 36 OK 94 94 100 100 2.0-3.5 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 94 94 100 100 2.0-3.5 4.0=100 HE3 LYS 19 - HG3 LYS 86 far 0 100 0 - 5.3-38.4 HE2 LYS 19 - HG3 LYS 86 far 0 100 0 - 6.8-38.4 HE2 LYS 26 - HG3 LYS 36 far 0 91 0 - 7.1-13.4 HE3 LYS 26 - HG3 LYS 36 far 0 91 0 - 8.8-14.3 HE2 LYS 31 - HG3 LYS 36 far 0 93 0 - 8.9-14.6 HE3 LYS 31 - HG3 LYS 36 far 0 91 0 - 9.7-14.5 Violated in 0 structures by 0.00 A. Peak 2669 from cnoeabs.peaks (8.12, 1.47, 25.00 ppm; 6.16 A): 1 out of 5 assignments used, quality = 1.00: * H PHE 87 + HG3 LYS 86 OK 100 100 100 100 3.5-5.1 7157/3.0=99, 7156/3.0=99...(18) H GLU 91 - HG3 LYS 86 far 10 98 10 - 6.4-9.4 H ILE 32 - HG3 LYS 36 far 0 64 0 - 8.5-9.7 H VAL 133 - HG3 LYS 86 far 0 60 0 - 9.4-11.4 H ALA 15 - HG3 LYS 86 far 0 68 0 - 10.0-38.3 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 10 assignments used, quality = 1.00: H LYS 86 + HD3 LYS 86 OK 100 100 100 100 4.5-5.0 5.6=100 * H LYS 86 + HD2 LYS 86 OK 100 100 100 100 5.2-5.9 5.6=100 H GLU 44 - HD2 LYS 39 poor 12 58 20 - 6.4-8.8 H GLY 17 - HD3 LYS 86 far 4 83 5 - 7.0-36.8 H GLY 17 - HD2 LYS 86 far 0 83 0 - 7.7-35.9 H LYS 19 - HD2 LYS 86 far 0 98 0 - 8.5-33.7 H GLY 14 - HD3 LYS 86 far 0 68 0 - 8.5-38.7 H LYS 19 - HD3 LYS 86 far 0 98 0 - 8.6-34.6 H GLY 14 - HD2 LYS 86 far 0 68 0 - 9.5-37.8 H LYS 24 - HD2 LYS 86 far 0 60 0 - 9.9-22.5 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 4 assignments used, quality = 1.00: * HA LYS 86 + HD2 LYS 86 OK 100 100 100 100 4.4-4.8 5.5=100 HA LYS 86 + HD3 LYS 86 OK 100 100 100 100 4.4-4.6 5.5=100 HA ALA 41 - HD2 LYS 39 far 0 40 0 - 7.1-10.0 HA3 GLY 75 - HD2 LYS 86 far 0 90 0 - 9.5-10.3 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 9 assignments used, quality = 1.00: HB2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-2.9 3.5=100 * HB2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 3.5-3.8 3.5=100 HB3 LYS 19 - HD2 LYS 86 far 0 89 0 - 6.8-32.9 HB3 ARG 23 - HD2 LYS 86 far 0 63 0 - 7.0-25.7 HB3 LYS 19 - HD3 LYS 86 far 0 89 0 - 7.7-33.8 HB3 ARG 23 - HD3 LYS 86 far 0 63 0 - 7.8-26.7 HB3 ARG 135 - HD2 LYS 39 far 0 39 0 - 7.9-10.5 HB2 ARG 84 - HD3 LYS 86 far 0 93 0 - 8.3-9.4 HB2 ARG 84 - HD2 LYS 86 far 0 93 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 2673 from cnoeabs.peaks (1.95, 1.66, 29.87 ppm; 5.78 A): 2 out of 8 assignments used, quality = 1.00: HB3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-2.9 3.5=100 * HB3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 3.6-3.9 3.5=100 HB3 ARG 90 - HD2 LYS 86 far 0 100 0 - 7.1-8.8 HB3 PRO 81 - HD2 LYS 39 far 0 56 0 - 7.6-10.6 HB3 ARG 90 - HD3 LYS 86 far 0 100 0 - 7.8-8.9 HB3 PRO 81 - HD2 LYS 86 far 0 97 0 - 9.2-11.5 HB3 PRO 81 - HD3 LYS 86 far 0 97 0 - 9.4-10.8 HB ILE 37 - HD2 LYS 39 far 0 53 0 - 9.6-11.6 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 9 assignments used, quality = 1.00: * HG2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.3-2.5 3.0=100 HG2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 19 - HD2 LYS 86 far 0 76 0 - 6.6-34.0 HG3 LYS 19 - HD3 LYS 86 far 0 76 0 - 7.2-35.0 QB ALA 34 - HD2 LYS 86 far 0 100 0 - 7.4-10.2 QB ALA 34 - HD3 LYS 86 far 0 100 0 - 8.8-11.4 QB ALA 16 - HD3 LYS 86 far 0 90 0 - 9.1-33.8 QB ALA 16 - HD2 LYS 86 far 0 90 0 - 9.7-33.0 HG3 LYS 24 - HD2 LYS 86 far 0 71 0 - 9.7-25.0 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 4 assignments used, quality = 1.00: * HG3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-2.6 3.0=100 HG3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 42 - HD2 LYS 39 far 0 54 0 - 8.9-10.1 HG3 LYS 24 - HD2 LYS 86 far 0 60 0 - 9.7-25.0 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 2 assignments used, quality = 1.00: * HE2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.2-2.5 3.0=100 HE2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.8-3.0 3.0=100 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 7 assignments used, quality = 1.00: HE3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-2.9 3.0=100 * HE3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.8-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 31 31 100 100 2.5-3.0 2.9=100 HE3 LYS 19 - HD3 LYS 86 far 0 100 0 - 4.9-37.3 HE3 LYS 19 - HD2 LYS 86 far 0 100 0 - 5.1-36.3 HE2 LYS 19 - HD3 LYS 86 far 0 100 0 - 6.2-37.3 HE2 LYS 19 - HD2 LYS 86 far 0 100 0 - 6.7-36.3 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 10 assignments used, quality = 1.00: * H LYS 86 + HD3 LYS 86 OK 100 100 100 100 4.5-5.0 5.6=100 H LYS 86 + HD2 LYS 86 OK 100 100 100 100 5.2-5.9 5.6=100 H GLU 44 - HD2 LYS 39 poor 12 58 20 - 6.4-8.8 H GLY 17 - HD3 LYS 86 far 4 83 5 - 7.0-36.8 H GLY 17 - HD2 LYS 86 far 0 83 0 - 7.7-35.9 H LYS 19 - HD2 LYS 86 far 0 98 0 - 8.5-33.7 H GLY 14 - HD3 LYS 86 far 0 68 0 - 8.5-38.7 H LYS 19 - HD3 LYS 86 far 0 98 0 - 8.6-34.6 H GLY 14 - HD2 LYS 86 far 0 68 0 - 9.5-37.8 H LYS 24 - HD2 LYS 86 far 0 60 0 - 9.9-22.5 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 4 assignments used, quality = 1.00: HA LYS 86 + HD2 LYS 86 OK 100 100 100 100 4.4-4.8 5.5=100 * HA LYS 86 + HD3 LYS 86 OK 100 100 100 100 4.4-4.6 5.5=100 HA ALA 41 - HD2 LYS 39 far 0 40 0 - 7.1-10.0 HA3 GLY 75 - HD2 LYS 86 far 0 90 0 - 9.5-10.3 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 9 assignments used, quality = 1.00: * HB2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-2.9 3.5=100 HB2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 3.5-3.8 3.5=100 HB3 LYS 19 - HD2 LYS 86 far 0 89 0 - 6.8-32.9 HB3 ARG 23 - HD2 LYS 86 far 0 63 0 - 7.0-25.7 HB3 LYS 19 - HD3 LYS 86 far 0 89 0 - 7.7-33.8 HB3 ARG 23 - HD3 LYS 86 far 0 63 0 - 7.8-26.7 HB3 ARG 135 - HD2 LYS 39 far 0 39 0 - 7.9-10.5 HB2 ARG 84 - HD3 LYS 86 far 0 93 0 - 8.3-9.4 HB2 ARG 84 - HD2 LYS 86 far 0 93 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 2684 from cnoeabs.peaks (1.95, 1.66, 29.87 ppm; 5.78 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-2.9 3.5=100 HB3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 3.6-3.9 3.5=100 HB3 ARG 90 - HD2 LYS 86 far 0 100 0 - 7.1-8.8 HB3 PRO 81 - HD2 LYS 39 far 0 56 0 - 7.6-10.6 HB3 ARG 90 - HD3 LYS 86 far 0 100 0 - 7.8-8.9 HB3 PRO 81 - HD2 LYS 86 far 0 97 0 - 9.2-11.5 HB3 PRO 81 - HD3 LYS 86 far 0 97 0 - 9.4-10.8 HB ILE 37 - HD2 LYS 39 far 0 53 0 - 9.6-11.6 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 9 assignments used, quality = 1.00: HG2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.3-2.5 3.0=100 * HG2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 19 - HD2 LYS 86 far 0 76 0 - 6.6-34.0 HG3 LYS 19 - HD3 LYS 86 far 0 76 0 - 7.2-35.0 QB ALA 34 - HD2 LYS 86 far 0 100 0 - 7.4-10.2 QB ALA 34 - HD3 LYS 86 far 0 100 0 - 8.8-11.4 QB ALA 16 - HD3 LYS 86 far 0 90 0 - 9.1-33.8 QB ALA 16 - HD2 LYS 86 far 0 90 0 - 9.7-33.0 HG3 LYS 24 - HD2 LYS 86 far 0 71 0 - 9.7-25.0 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 4 assignments used, quality = 1.00: HG3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-2.6 3.0=100 * HG3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 42 - HD2 LYS 39 far 0 54 0 - 8.9-10.1 HG3 LYS 24 - HD2 LYS 86 far 0 60 0 - 9.7-25.0 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 2 assignments used, quality = 1.00: HE2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.2-2.5 3.0=100 * HE2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.8-3.0 3.0=100 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 7 assignments used, quality = 1.00: * HE3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-2.9 3.0=100 HE3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.8-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 31 31 100 100 2.5-3.0 2.9=100 HE3 LYS 19 - HD3 LYS 86 far 0 100 0 - 4.9-37.3 HE3 LYS 19 - HD2 LYS 86 far 0 100 0 - 5.1-36.3 HE2 LYS 19 - HD3 LYS 86 far 0 100 0 - 6.2-37.3 HE2 LYS 19 - HD2 LYS 86 far 0 100 0 - 6.7-36.3 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 3.6-5.0 6.0=100 HB2 SER 94 - HE2 LYS 86 far 0 92 0 - 8.8-13.8 HA3 GLY 75 - HE2 LYS 86 far 0 90 0 - 9.1-10.0 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 4 assignments used, quality = 1.00: * HB2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.9-4.7 1.8/2695=76, 4.9=71...(20) HB3 LYS 19 - HE2 LYS 86 far 0 89 0 - 6.1-33.9 HB3 ARG 23 - HE2 LYS 86 far 0 63 0 - 8.0-26.5 HB2 ARG 84 - HE2 LYS 86 far 0 93 0 - 8.6-11.2 Violated in 3 structures by 0.04 A. Peak 2695 from cnoeabs.peaks (1.95, 3.07, 41.80 ppm; 4.41 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 3.4-4.6 2706/1.8=94, 1.8/2694=87...(19) HB3 ARG 90 - HE2 LYS 86 far 0 100 0 - 5.8-9.6 HB3 PRO 81 - HE2 LYS 86 far 0 97 0 - 7.7-11.6 HB ILE 37 - HE2 LYS 86 far 0 95 0 - 9.5-11.4 Violated in 4 structures by 0.01 A. Peak 2696 from cnoeabs.peaks (1.42, 3.07, 41.80 ppm; 4.18 A): 1 out of 5 assignments used, quality = 1.00: * HG2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.4-3.7 3.7=100 HG3 LYS 19 - HE2 LYS 86 far 0 76 0 - 5.1-34.9 QB ALA 34 - HE2 LYS 86 far 0 100 0 - 7.4-9.7 HG3 LYS 24 - HE2 LYS 86 far 0 71 0 - 8.6-25.4 QB ALA 92 - HE2 LYS 86 far 0 98 0 - 9.3-11.8 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 2 assignments used, quality = 1.00: * HG3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.6-4.1 3.7=100 HG3 LYS 24 - HE2 LYS 86 far 0 60 0 - 8.6-25.4 Violated in 1 structures by 0.01 A. Peak 2698 from cnoeabs.peaks (1.66, 3.07, 41.80 ppm; 3.61 A): 2 out of 8 assignments used, quality = 1.00: * HD2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.2-2.5 3.0=100 HD3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.8-3.0 3.0=100 HD3 LYS 19 - HE2 LYS 86 far 0 97 0 - 7.3-36.2 QB ALA 88 - HE2 LYS 86 far 0 100 0 - 7.9-9.6 HD2 LYS 19 - HE2 LYS 86 far 0 97 0 - 8.0-36.1 HG2 ARG 84 - HE2 LYS 86 far 0 78 0 - 8.9-11.2 HG3 ARG 84 - HE2 LYS 86 far 0 78 0 - 9.9-12.5 HD2 LYS 24 - HE2 LYS 86 far 0 100 0 - 10.0-26.2 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 8 assignments used, quality = 1.00: HD2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.2-2.5 3.0=100 * HD3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.8-3.0 3.0=100 HD3 LYS 19 - HE2 LYS 86 far 0 97 0 - 7.3-36.2 QB ALA 88 - HE2 LYS 86 far 0 100 0 - 7.9-9.6 HD2 LYS 19 - HE2 LYS 86 far 0 97 0 - 8.0-36.1 HG2 ARG 84 - HE2 LYS 86 far 0 78 0 - 8.9-11.2 HG3 ARG 84 - HE2 LYS 86 far 0 78 0 - 9.9-12.5 HD2 LYS 24 - HE2 LYS 86 far 0 100 0 - 10.0-26.2 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 4 assignments used, quality = 1.00: * HE3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 19 - HE2 LYS 86 far 0 100 0 - 5.8-37.3 HE2 LYS 19 - HE2 LYS 86 far 0 100 0 - 7.5-37.2 HE3 LYS 24 - HE2 LYS 86 far 0 100 0 - 9.8-24.6 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 41 assignments used, quality = 1.00: * H LYS 86 + HE3 LYS 86 OK 100 100 100 100 3.1-5.3 2.9/2704=79...(16) H LYS 19 + HE2 LYS 19 OK 98 98 100 100 3.1-4.7 6151/3.8=69, 6149/5.1=58...(50) H LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.9-4.6 6151/3.8=69, 6149/5.1=58...(50) H LYS 26 + HE3 LYS 26 OK 50 51 100 99 1.9-5.2 3.6/9587=42, 6253/3.6=32...(51) H LYS 24 + HE2 LYS 24 OK 45 58 80 97 3.7-6.3 6222/4.0=34, 6223/4.0=32...(19) H LYS 24 + HE3 LYS 24 OK 40 60 70 97 3.0-6.2 6222/4.0=34, 6223/4.0=32...(19) H LYS 26 + HE2 LYS 26 OK 33 51 65 99 3.3-6.1 6253/3.6=32, 6252/3.6=32...(51) H ALA 28 - HE2 LYS 26 far 13 87 15 - 4.8-8.5 H ALA 28 - HE3 LYS 26 far 4 87 5 - 4.7-8.5 H GLY 17 - HE2 LYS 19 lone 1 83 40 3 2.6-8.8 303/2.9=1 H GLY 17 - HE3 LYS 19 lone 1 80 40 3 3.0-9.2 303/2.9=1 H GLY 14 - HE2 LYS 19 far 0 68 0 - 5.6-16.9 H LYS 19 - HE3 LYS 31 far 0 92 0 - 6.6-27.7 H LYS 24 - HE3 LYS 26 far 0 53 0 - 6.8-9.9 H LYS 19 - HE3 LYS 24 far 0 98 0 - 6.9-14.6 H GLY 14 - HE3 LYS 86 far 0 68 0 - 6.9-38.5 H GLY 14 - HE3 LYS 19 far 0 65 0 - 6.9-17.4 H LYS 24 - HE2 LYS 31 far 0 57 0 - 7.4-21.8 H LYS 86 - HE3 LYS 19 far 0 99 0 - 7.5-41.8 H LYS 19 - HE2 LYS 31 far 0 96 0 - 8.0-28.0 H LYS 24 - HE2 LYS 26 far 0 53 0 - 8.0-11.1 H LYS 19 - HE2 LYS 24 far 0 97 0 - 8.1-15.5 H LYS 24 - HE3 LYS 31 far 0 53 0 - 8.2-20.9 H ALA 28 - HE2 LYS 31 far 0 92 0 - 8.3-12.4 H GLY 17 - HE2 LYS 31 far 0 80 0 - 8.4-28.4 H LYS 26 - HE2 LYS 24 far 0 56 0 - 8.4-11.2 H LYS 24 - HE2 LYS 19 far 0 60 0 - 8.5-14.3 H LYS 86 - HE2 LYS 19 far 0 100 0 - 8.5-41.8 H LYS 24 - HE3 LYS 19 far 0 57 0 - 8.5-14.7 H ALA 28 - HE3 LYS 31 far 0 87 0 - 8.6-13.0 H LYS 26 - HE3 LYS 24 far 0 57 0 - 8.7-11.0 H LYS 19 - HE3 LYS 86 far 0 98 0 - 8.8-35.2 H TYR 72 - HE2 LYS 36 far 0 86 0 - 8.9-11.0 H LYS 26 - HE2 LYS 31 far 0 55 0 - 8.9-17.8 H GLY 17 - HE3 LYS 86 far 0 83 0 - 9.0-37.1 H LYS 26 - HE3 LYS 31 far 0 51 0 - 9.2-17.5 H TYR 72 - HE3 LYS 36 far 0 86 0 - 9.4-11.4 H LYS 26 - HE2 LYS 19 far 0 57 0 - 9.5-19.4 H ALA 28 - HE3 LYS 24 far 0 94 0 - 9.5-16.9 H GLY 17 - HE3 LYS 31 far 0 75 0 - 9.8-28.7 H LYS 26 - HE3 LYS 19 far 0 55 0 - 9.9-20.5 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 23 assignments used, quality = 1.00: * HA LYS 86 + HE3 LYS 86 OK 100 100 100 100 3.1-4.1 6.0=100 HB2 SER 33 + HE2 LYS 36 OK 69 73 100 95 4.7-6.7 ~10783=42, ~10860=40...(9) HB2 SER 33 + HE3 LYS 36 OK 69 73 100 95 4.5-6.7 ~10783=42, ~10860=40...(9) HB2 SER 33 - HE2 LYS 26 poor 20 66 30 - 3.2-10.3 HB2 SER 33 - HE3 LYS 26 far 10 66 15 - 4.5-11.4 HB2 SER 94 - HE2 LYS 19 far 5 92 5 - 5.8-42.1 HB2 SER 94 - HE3 LYS 19 far 4 89 5 - 6.3-42.4 HA3 GLY 75 - HE2 LYS 26 far 4 83 5 - 6.8-11.8 HA3 GLY 75 - HE3 LYS 26 far 4 83 5 - 6.8-13.2 HB2 SER 33 - HE2 LYS 31 lone 2 70 50 6 4.7-9.1 11436/3.7=3 HB2 SER 33 - HE3 LYS 31 lone 2 66 45 6 4.4-9.6 11436/3.7=3 HA ALA 41 - HE2 LYS 36 far 0 78 0 - 7.7-10.0 HA ALA 41 - HE3 LYS 36 far 0 78 0 - 8.1-10.3 HA LYS 86 - HE3 LYS 19 far 0 99 0 - 8.3-40.5 HA3 GLY 75 - HE2 LYS 36 far 0 90 0 - 8.8-10.6 HA3 GLY 75 - HE2 LYS 31 far 0 87 0 - 8.9-14.5 HA3 GLY 75 - HE3 LYS 36 far 0 90 0 - 8.9-10.6 HB2 SER 94 - HE3 LYS 86 far 0 92 0 - 9.0-13.9 HA LYS 86 - HE2 LYS 19 far 0 100 0 - 9.6-40.4 HA3 GLY 75 - HE3 LYS 31 far 0 83 0 - 9.7-15.3 HA LEU 70 - HE2 LYS 19 far 0 99 0 - 9.8-39.2 HA3 GLY 75 - HE3 LYS 19 far 0 87 0 - 9.8-33.1 HA LEU 70 - HE3 LYS 19 far 0 98 0 - 10.0-39.9 Violated in 0 structures by 0.00 A. Peak 2705 from cnoeabs.peaks (1.79, 2.96, 41.80 ppm; 4.67 A): 11 out of 54 assignments used, quality = 1.00: * HB2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 1.8-3.6 1.8/2706=98, 2694/1.8=93...(20) HB3 LYS 31 + HE2 LYS 31 OK 85 86 100 100 2.0-5.3 4.8=90, 6332/7.1=25...(53) HB3 LYS 24 + HE3 LYS 24 OK 84 84 100 99 2.4-4.6 5.1=78, 482/6.4=32...(27) HB3 LYS 24 + HE2 LYS 24 OK 82 83 100 99 2.0-5.0 5.1=78, 482/6.4=32...(27) HB3 LYS 31 + HE3 LYS 31 OK 81 81 100 100 2.2-5.0 4.8=90, 6332/7.1=25...(53) HB3 LYS 19 + HE3 LYS 19 OK 81 86 95 99 3.2-5.4 5.1=78, 10712/10705=16...(53) HB2 LYS 36 + HE2 LYS 36 OK 78 78 100 100 3.5-4.5 4.9=85, 1.8/1064=42...(65) HB2 LYS 36 + HE3 LYS 36 OK 78 78 100 100 2.8-4.2 4.9=85, 1.8/1064=42...(65) HB3 LYS 26 + HE2 LYS 26 OK 66 66 100 100 3.6-5.0 4.8=93, 6251/7.1=20...(55) HB3 LYS 26 + HE3 LYS 26 OK 66 66 100 100 3.7-4.6 4.8=93, 6251/7.1=20...(54) HB3 LYS 19 + HE2 LYS 19 OK 53 89 60 99 3.3-5.4 5.1=78, 10712/10705=23...(53) HB ILE 32 - HE2 LYS 26 poor 17 68 25 - 4.9-6.6 HB3 LYS 19 - HE3 LYS 31 far 4 81 5 - 4.9-25.2 HB ILE 32 - HE3 LYS 26 far 3 68 5 - 4.6-7.5 HB3 ARG 23 - HE2 LYS 24 far 3 61 5 - 4.7-9.9 HB3 ARG 23 - HE3 LYS 26 far 3 56 5 - 3.7-11.8 HB3 ARG 23 - HE2 LYS 26 far 3 56 5 - 4.6-12.5 HB2 LYS 36 - HE2 LYS 26 far 0 71 0 - 5.4-11.8 HB3 LYS 19 - HE3 LYS 24 far 0 88 0 - 5.6-14.9 HB3 LYS 19 - HE2 LYS 31 far 0 86 0 - 5.6-25.7 HB3 LYS 31 - HE3 LYS 26 far 0 81 0 - 6.0-13.3 HB3 ARG 23 - HE3 LYS 24 far 0 62 0 - 6.1-9.9 HB3 ARG 23 - HE2 LYS 31 far 0 60 0 - 6.2-23.1 HB ILE 32 - HE2 LYS 31 far 0 73 0 - 6.3-10.3 HB3 LYS 31 - HE2 LYS 26 far 0 81 0 - 6.3-12.4 HB3 ARG 23 - HE3 LYS 31 far 0 56 0 - 6.4-22.1 HB3 LYS 26 - HE3 LYS 31 far 0 66 0 - 6.5-14.0 HB3 LYS 19 - HE2 LYS 24 far 0 87 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 70 0 - 6.8-14.2 HB2 ARG 84 - HE3 LYS 86 far 0 93 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 75 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 89 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 68 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 99 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 71 0 - 7.1-12.9 HB3 LYS 19 - HE3 LYS 26 far 0 81 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 75 0 - 7.3-9.1 HB3 LYS 24 - HE3 LYS 26 far 0 77 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 75 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 81 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 86 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 89 0 - 8.2-25.8 HB2 LYS 86 - HE2 LYS 19 far 0 100 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 77 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 71 0 - 8.5-13.7 HB3 ARG 23 - HE3 LYS 86 far 0 63 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 82 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 88 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 85 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 60 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 87 0 - 9.3-22.4 HB3 LYS 31 - HE2 LYS 36 far 0 88 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 63 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 76 0 - 9.6-13.2 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 23 assignments used, quality = 1.00: * HB3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.0-3.5 2646=70, 2695/1.8=69...(19) HB3 ARG 90 - HE3 LYS 19 far 5 98 5 - 4.5-40.9 HB2 GLN 27 - HE3 LYS 26 far 5 91 5 - 3.6-9.5 HB2 GLN 27 - HE2 LYS 26 far 5 91 5 - 4.2-9.9 HB3 ARG 90 - HE2 LYS 19 far 0 100 0 - 5.3-40.6 HB2 GLU 30 - HE2 LYS 31 far 0 99 0 - 5.9-9.1 HB2 GLU 30 - HE3 LYS 31 far 0 96 0 - 6.0-9.4 HB3 ARG 90 - HE3 LYS 86 far 0 100 0 - 6.0-9.5 HB3 LYS 86 - HE3 LYS 19 far 0 99 0 - 6.2-40.1 HB2 GLU 30 - HE3 LYS 26 far 0 96 0 - 6.4-11.0 HB2 GLU 30 - HE2 LYS 26 far 0 96 0 - 6.4-10.5 HB ILE 37 - HE2 LYS 36 far 0 94 0 - 7.0-8.4 HB3 LYS 86 - HE2 LYS 19 far 0 100 0 - 7.3-40.1 HB3 PRO 81 - HE3 LYS 86 far 0 97 0 - 7.4-12.0 HB3 PRO 81 - HE3 LYS 19 far 0 95 0 - 7.5-40.6 HB ILE 37 - HE3 LYS 36 far 0 94 0 - 7.7-8.5 HB3 PRO 81 - HE2 LYS 19 far 0 97 0 - 8.2-40.5 HB2 GLN 27 - HE3 LYS 24 far 0 97 0 - 8.5-15.8 HB2 GLN 27 - HE3 LYS 31 far 0 91 0 - 8.5-14.7 HB2 GLN 27 - HE2 LYS 31 far 0 95 0 - 8.5-14.3 HB2 GLN 27 - HE2 LYS 19 far 0 97 0 - 8.9-22.6 HB ILE 37 - HE2 LYS 26 far 0 87 0 - 9.3-12.3 HB2 GLN 27 - HE2 LYS 24 far 0 96 0 - 10.0-15.9 Violated in 0 structures by 0.00 A. Peak 2707 from cnoeabs.peaks (1.42, 2.96, 41.80 ppm; 3.87 A): 9 out of 56 assignments used, quality = 1.00: * HG2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.5-3.7 3.7=100 HG2 LYS 26 + HE3 LYS 26 OK 89 89 100 100 2.2-3.8 3.6=100 HG2 LYS 26 + HE2 LYS 26 OK 89 89 100 100 2.7-4.1 3.6=100 HG2 LYS 31 + HE2 LYS 31 OK 78 78 100 100 2.1-4.0 3.7=100 HG3 LYS 19 + HE2 LYS 19 OK 76 76 100 100 2.1-3.9 3.8=100 HG2 LYS 31 + HE3 LYS 31 OK 73 73 100 100 2.0-4.2 3.7=100 HG3 LYS 19 + HE3 LYS 19 OK 73 73 100 100 2.2-3.7 3.8=100 HG3 LYS 24 + HE3 LYS 24 OK 68 70 100 97 2.3-3.9 4.0=92, 484/6.4=15...(17) HG3 LYS 24 + HE2 LYS 24 OK 67 69 100 97 2.3-4.0 4.0=92, 484/6.4=15...(17) HG13 ILE 32 - HE2 LYS 26 far 12 79 15 - 3.5-6.7 QB ALA 34 - HE3 LYS 26 far 10 95 10 - 4.0-7.8 QB ALA 34 - HE2 LYS 26 lone 5 95 30 18 3.1-7.1 908/10766=15, 6364/865=2 QB ALA 16 - HE2 LYS 31 far 4 87 5 - 3.9-25.9 HG3 LYS 19 - HE3 LYS 31 far 3 68 5 - 4.4-25.7 QB ALA 16 - HE2 LYS 19 lone 1 90 35 3 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 1 87 25 3 2.7-9.0 HG13 ILE 32 - HE3 LYS 26 far 0 79 0 - 4.5-7.4 QB ALA 16 - HE3 LYS 31 far 0 83 0 - 5.2-26.1 HG3 LYS 19 - HE2 LYS 31 far 0 73 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 76 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 73 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 73 0 - 6.5-13.4 HG2 LYS 26 - HE2 LYS 31 far 0 93 0 - 6.6-15.6 HG13 ILE 32 - HE2 LYS 31 far 0 84 0 - 6.7-10.1 HG2 LYS 86 - HE3 LYS 19 far 0 99 0 - 6.8-38.5 HG13 ILE 32 - HE3 LYS 31 far 0 79 0 - 6.9-10.1 HG2 LYS 26 - HE3 LYS 31 far 0 89 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 75 0 - 7.0-15.8 QB ALA 34 - HE2 LYS 19 far 0 100 0 - 7.3-24.1 HG3 LYS 19 - HE3 LYS 26 far 0 68 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 80 0 - 7.4-12.4 QB ALA 34 - HE2 LYS 31 far 0 99 0 - 7.5-11.5 HG3 LYS 19 - HE2 LYS 26 far 0 68 0 - 7.6-21.0 QB ALA 34 - HE3 LYS 36 far 0 100 0 - 7.6-8.5 HG2 LYS 31 - HE3 LYS 19 far 0 78 0 - 7.7-26.4 QB ALA 34 - HE2 LYS 36 far 0 100 0 - 7.9-8.4 HG2 LYS 31 - HE2 LYS 36 far 0 80 0 - 8.0-11.8 QB ALA 34 - HE3 LYS 31 far 0 95 0 - 8.0-12.3 HG2 LYS 86 - HE2 LYS 19 far 0 100 0 - 8.4-38.3 HG2 LYS 31 - HE2 LYS 19 far 0 80 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 74 0 - 8.4-15.9 QB ALA 34 - HE3 LYS 19 far 0 99 0 - 8.5-24.4 HG3 LYS 24 - HE3 LYS 19 far 0 68 0 - 8.6-17.0 QB ALA 34 - HE3 LYS 86 far 0 100 0 - 8.7-11.0 HG2 LYS 31 - HE2 LYS 24 far 0 79 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 86 0 - 9.0-11.0 QB ALA 16 - HE2 LYS 24 far 0 89 0 - 9.1-18.0 HG3 LYS 24 - HE2 LYS 19 far 0 71 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 63 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 86 0 - 9.4-11.1 QB ALA 92 - HE3 LYS 86 far 0 98 0 - 9.6-11.3 QB ALA 16 - HE3 LYS 86 far 0 90 0 - 9.6-34.1 HG3 LYS 24 - HE2 LYS 26 far 0 63 0 - 9.7-13.1 HG3 LYS 24 - HE3 LYS 86 far 0 71 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 95 0 - 9.8-14.5 QB ALA 34 - HE3 LYS 24 far 0 100 0 - 9.9-15.9 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 16 assignments used, quality = 1.00: * HG3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-3.8 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.0-3.5 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 98 98 100 100 2.0-3.5 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 60 60 100 100 2.3-3.9 4.0=100 HG3 LYS 24 + HE2 LYS 24 OK 58 58 100 100 2.3-4.0 4.0=100 HG3 LYS 86 - HE3 LYS 19 far 0 99 0 - 5.3-38.4 HG3 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.8-38.4 HG3 LYS 36 - HE2 LYS 26 far 0 93 0 - 7.1-13.4 HG3 LYS 24 - HE3 LYS 19 far 0 57 0 - 8.6-17.0 HG3 LYS 36 - HE3 LYS 26 far 0 93 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.9-14.6 HG3 LYS 24 - HE2 LYS 19 far 0 60 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 53 0 - 9.3-11.4 HG3 LYS 24 - HE2 LYS 26 far 0 53 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 93 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 60 0 - 9.8-26.1 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 74 assignments used, quality = 1.00: HD3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-2.9 3.0=100 * HD2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.8-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.3-3.0 2.9=100 HD3 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.5-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.2-2.9 3.0=100 HD3 LYS 26 + HE2 LYS 26 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 HD3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.3-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE3 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 2.2-3.0 2.9=100 HD3 LYS 86 - HE3 LYS 19 far 0 99 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 99 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 99 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 96 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 96 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 95 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 90 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 99 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 91 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 94 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 91 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 95 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 78 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 90 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 100 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 99 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 90 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 96 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 94 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 95 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 95 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 90 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 97 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 96 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 78 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 97 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 90 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 97 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 97 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 90 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 96 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 75 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 95 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 96 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 78 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 99 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 91 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 91 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 96 0 - 9.9-17.4 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 74 assignments used, quality = 1.00: * HD3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.8-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.3-3.0 2.9=100 HD3 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.5-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.2-2.9 3.0=100 HD3 LYS 26 + HE2 LYS 26 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 HD3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.3-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE3 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 2.2-3.0 2.9=100 HD3 LYS 86 - HE3 LYS 19 far 0 99 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 99 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 99 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 96 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 96 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 95 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 90 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 99 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 91 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 94 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 91 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 95 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 78 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 90 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 100 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 99 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 90 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 96 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 94 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 95 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 95 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 90 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 97 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 96 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 78 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 97 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 90 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 97 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 97 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 90 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 96 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 75 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 95 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 96 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 78 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 99 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 91 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 91 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 96 0 - 9.9-17.4 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 4 assignments used, quality = 1.00: * HE2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 86 - HE3 LYS 19 far 0 99 0 - 5.8-37.3 HE2 LYS 86 - HE2 LYS 19 far 0 100 0 - 7.5-37.2 HE2 LYS 86 - HE3 LYS 24 far 0 100 0 - 9.8-24.6 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 3 assignments used, quality = 1.00: * H PHE 87 + HA PHE 87 OK 100 100 100 100 2.8-2.8 2.9=100 H GLU 91 + HA PHE 87 OK 97 98 100 99 3.8-4.4 7223/7206=54, 7226=53...(12) H ALA 15 - HA PHE 87 far 0 68 0 - 6.0-40.4 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 4 assignments used, quality = 1.00: * HB2 PHE 87 + HA PHE 87 OK 100 100 100 100 2.6-2.8 3.0=100 HB3 PHE 87 + HA PHE 87 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 HIS 10 - HA PHE 87 far 0 71 0 - 7.4-45.4 HD3 ARG 135 - HA PHE 87 far 0 100 0 - 9.4-11.7 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 4 assignments used, quality = 1.00: * HB3 PHE 87 + HA PHE 87 OK 100 100 100 100 2.3-2.9 3.0=100 HB2 PHE 87 + HA PHE 87 OK 100 100 100 100 2.6-2.8 3.0=100 HB3 HIS 10 - HA PHE 87 far 0 81 0 - 7.4-45.4 HD3 ARG 135 - HA PHE 87 far 0 100 0 - 9.4-11.7 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 2.9-3.6 3.7=100 Violated in 0 structures by 0.00 A. Peak 2719 from cnoeabs.peaks (7.27, 4.26, 61.26 ppm; 5.58 A increased from 4.96 A): 1 out of 5 assignments used, quality = 0.99: * QE PHE 87 + HA PHE 87 OK 99 100 100 99 4.4-5.6 5.6=99, 7152/2.9=37...(5) H ASN 85 - HA PHE 87 far 0 100 0 - 6.9-7.3 HE ARG 84 - HA PHE 87 far 0 87 0 - 7.6-11.1 HD21 ASN 85 - HA PHE 87 far 0 73 0 - 9.7-11.0 HD2 HIS 10 - HA PHE 87 far 0 99 0 - 9.9-49.1 Violated in 1 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 3.5-3.6 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 3.6-4.0 7206=100, 3.8/2723=69...(11) 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 3 assignments used, quality = 1.00: * HB2 ARG 90 + HA PHE 87 OK 100 100 100 100 3.3-3.8 1.8/2804=88, 2794=85...(9) HB2 MET 11 - HA PHE 87 far 0 97 0 - 7.6-43.6 HB3 ARG 84 - HA PHE 87 far 0 98 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 2724 from cnoeabs.peaks (1.95, 4.26, 61.26 ppm; 5.25 A increased from 4.20 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 90 + HA PHE 87 OK 100 100 100 100 4.6-5.5 2804=88, 7218/7206=72...(8) HB3 LYS 86 + HA PHE 87 OK 100 100 100 100 4.0-5.3 7157/2.9=91, ~7156=68...(17) HB2 MET 11 - HA PHE 87 far 0 63 0 - 7.6-43.6 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 6 assignments used, quality = 1.00: * HA ARG 84 + HB2 PHE 87 OK 94 100 100 94 3.4-4.5 2530/4.0=46, 2532=45...(12) HA PHE 87 + HB2 PHE 87 OK 89 89 100 100 2.6-2.8 3.0=100 HA PHE 87 + HB3 PHE 87 OK 87 87 100 100 2.3-2.9 3.0=100 HA ARG 84 + HB3 PHE 87 OK 48 99 55 88 4.5-5.7 2530/4.0=46, 2532/1.8=39...(9) HA ALA 16 - HB2 PHE 87 far 0 63 0 - 7.9-44.4 HA ALA 16 - HB3 PHE 87 far 0 61 0 - 8.6-45.4 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 6 assignments used, quality = 1.00: * H PHE 87 + HB2 PHE 87 OK 100 100 100 100 2.1-2.3 4.0=92, 7170/4.5=42...(12) H PHE 87 + HB3 PHE 87 OK 98 99 100 99 3.1-3.6 4.0=92, 7165/1.8=44...(9) H GLU 91 - HB3 PHE 87 far 0 97 0 - 5.1-5.5 H GLU 91 - HB2 PHE 87 far 0 98 0 - 6.1-6.5 H ALA 15 - HB3 PHE 87 far 0 66 0 - 6.5-43.2 H ALA 15 - HB2 PHE 87 far 0 68 0 - 7.1-42.4 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 11 assignments used, quality = 1.00: * HA PHE 87 + HB2 PHE 87 OK 100 100 100 100 2.6-2.8 3.0=100 HA PHE 87 + HB3 PHE 87 OK 99 99 100 100 2.3-2.9 3.0=100 HA ARG 84 + HB2 PHE 87 OK 82 89 100 93 3.4-4.5 2530/4.0=39, 2532=38...(12) HA ARG 84 + HB3 PHE 87 OK 48 87 65 85 4.5-5.7 2530/4.0=39, 2532/1.8=33...(9) HA ALA 12 - HB3 PHE 87 far 0 81 0 - 5.7-42.2 HA ALA 12 - HB2 PHE 87 far 0 83 0 - 7.4-42.9 HA ALA 16 - HB2 PHE 87 far 0 97 0 - 7.9-44.4 HA ALA 16 - HB3 PHE 87 far 0 95 0 - 8.6-45.4 HA ALA 15 - HB3 PHE 87 far 0 81 0 - 9.0-46.2 HA ALA 15 - HB2 PHE 87 far 0 83 0 - 9.2-45.3 HA THR 18 - HB2 PHE 87 far 0 65 0 - 9.7-39.0 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 2.3-2.4 2.5=100 QD PHE 87 + HB3 PHE 87 OK 99 99 100 100 2.4-2.5 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): 3 out of 8 assignments used, quality = 1.00: * QE PHE 87 + HB2 PHE 87 OK 100 100 100 100 4.4-4.4 4.4=100 QE PHE 87 + HB3 PHE 87 OK 99 99 100 100 4.4-4.4 4.4=100 H ASN 85 + HB2 PHE 87 OK 59 100 65 91 5.3-6.4 7132/9817=41...(7) HE ARG 84 - HB2 PHE 87 poor 17 87 20 - 4.8-8.8 HE ARG 84 - HB3 PHE 87 far 0 85 0 - 5.5-10.1 H ASN 85 - HB3 PHE 87 far 0 99 0 - 6.3-7.7 HD21 ASN 85 - HB2 PHE 87 far 0 73 0 - 7.8-10.6 HD21 ASN 85 - HB3 PHE 87 far 0 71 0 - 8.4-11.6 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 2.9-3.7 4.5=77, 7170/4.0=57...(26) H ALA 88 + HB3 PHE 87 OK 99 99 100 100 2.3-4.0 4.5=77, 7170/4.0=57...(26) 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 6 assignments used, quality = 1.00: HA ARG 84 + HB2 PHE 87 OK 94 99 100 94 3.4-4.5 2530/4.0=46, 2532=45...(12) HA PHE 87 + HB3 PHE 87 OK 89 89 100 100 2.3-2.9 3.0=100 HA PHE 87 + HB2 PHE 87 OK 87 87 100 100 2.6-2.8 3.0=100 * HA ARG 84 + HB3 PHE 87 OK 48 100 55 88 4.5-5.7 2530/4.0=46, 2532/1.8=39...(9) HA ALA 16 - HB2 PHE 87 far 0 61 0 - 7.9-44.4 HA ALA 16 - HB3 PHE 87 far 0 63 0 - 8.6-45.4 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 6 assignments used, quality = 1.00: H PHE 87 + HB2 PHE 87 OK 99 99 100 100 2.1-2.3 4.0=92, 7170/4.5=42...(12) * H PHE 87 + HB3 PHE 87 OK 99 100 100 99 3.1-3.6 4.0=92, 7165/1.8=44...(9) H GLU 91 - HB3 PHE 87 far 0 98 0 - 5.1-5.5 H GLU 91 - HB2 PHE 87 far 0 97 0 - 6.1-6.5 H ALA 15 - HB3 PHE 87 far 0 68 0 - 6.5-43.2 H ALA 15 - HB2 PHE 87 far 0 66 0 - 7.1-42.4 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 11 assignments used, quality = 1.00: * HA PHE 87 + HB3 PHE 87 OK 100 100 100 100 2.3-2.9 3.0=100 HA PHE 87 + HB2 PHE 87 OK 99 99 100 100 2.6-2.8 3.0=100 HA ARG 84 + HB2 PHE 87 OK 80 87 100 93 3.4-4.5 2530/4.0=39, 2532=39...(12) HA ARG 84 + HB3 PHE 87 OK 49 89 65 85 4.5-5.7 2530/4.0=39, 2532/1.8=33...(9) HA ALA 12 - HB3 PHE 87 far 0 83 0 - 5.7-42.2 HA ALA 12 - HB2 PHE 87 far 0 81 0 - 7.4-42.9 HA ALA 16 - HB2 PHE 87 far 0 95 0 - 7.9-44.4 HA ALA 16 - HB3 PHE 87 far 0 97 0 - 8.6-45.4 HA ALA 15 - HB3 PHE 87 far 0 83 0 - 9.0-46.2 HA ALA 15 - HB2 PHE 87 far 0 81 0 - 9.2-45.3 HA THR 18 - HB2 PHE 87 far 0 64 0 - 9.7-39.0 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 2.4-2.5 2.5=100 QD PHE 87 + HB2 PHE 87 OK 99 99 100 100 2.3-2.4 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): 3 out of 8 assignments used, quality = 1.00: * QE PHE 87 + HB3 PHE 87 OK 100 100 100 100 4.4-4.4 4.4=100 QE PHE 87 + HB2 PHE 87 OK 99 99 100 100 4.4-4.4 4.4=100 H ASN 85 + HB2 PHE 87 OK 59 99 65 91 5.3-6.4 7132/9817=41...(7) HE ARG 84 - HB2 PHE 87 poor 17 85 20 - 4.8-8.8 HE ARG 84 - HB3 PHE 87 far 0 87 0 - 5.5-10.1 H ASN 85 - HB3 PHE 87 far 0 100 0 - 6.3-7.7 HD21 ASN 85 - HB2 PHE 87 far 0 71 0 - 7.8-10.6 HD21 ASN 85 - HB3 PHE 87 far 0 73 0 - 8.4-11.6 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 2.3-4.0 4.5=77, 7170/4.0=57...(26) H ALA 88 + HB2 PHE 87 OK 99 99 100 100 2.9-3.7 4.5=77, 7170/4.0=57...(26) 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 - 9.8-10.9 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 6 assignments used, quality = 1.00: * QB ALA 88 + HA ALA 88 OK 100 100 100 100 2.1-2.1 2.1=100 HD2 LYS 95 - HA ALA 88 far 0 99 0 - 7.3-9.8 HD3 LYS 95 - HA ALA 88 far 0 100 0 - 7.8-9.1 HG2 ARG 84 - HA ALA 88 far 0 73 0 - 8.0-10.6 HG3 ARG 84 - HA ALA 88 far 0 73 0 - 9.3-10.8 HD3 LYS 86 - HA ALA 88 far 0 100 0 - 9.5-10.3 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 2 assignments used, quality = 1.00: * H PHE 89 + HA ALA 88 OK 100 100 100 100 3.4-3.5 3.6=100 H HIS 10 - HA ALA 88 far 0 71 0 - 6.1-48.5 Violated in 0 structures by 0.00 A. Peak 2747 from cnoeabs.peaks (8.13, 4.20, 54.89 ppm; 4.42 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 91 + HA ALA 88 OK 100 100 100 100 3.2-3.7 7227=100, 2861/2860=58...(13) H PHE 87 - HA ALA 88 far 0 98 0 - 5.3-5.5 H ALA 15 - HA ALA 88 far 0 89 0 - 8.3-44.2 H VAL 133 - HA ALA 88 far 0 83 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 2748 from cnoeabs.peaks (1.99, 4.20, 54.89 ppm; 4.59 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 91 + HA ALA 88 OK 100 100 100 100 2.5-3.1 2860=100, 1.8/2868=89...(17) HB3 MET 11 - HA ALA 88 far 0 63 0 - 6.1-44.1 HG2 ARG 90 - HA ALA 88 far 0 63 0 - 6.4-7.9 HB ILE 129 - HA ALA 88 far 0 99 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 2749 from cnoeabs.peaks (2.03, 4.20, 54.89 ppm; 4.69 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 91 + HA ALA 88 OK 100 100 100 100 3.9-4.2 2868=100, 1.8/2860=91...(15) QE MET 11 - HA ALA 88 far 0 99 0 - 5.7-39.1 HB3 MET 11 - HA ALA 88 far 0 97 0 - 6.1-44.1 HG2 ARG 90 - HA ALA 88 far 0 97 0 - 6.4-7.9 HG3 ARG 135 - HA ALA 88 far 0 100 0 - 8.0-9.0 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 = 0.97: * HA ASN 85 + QB ALA 88 OK 97 100 100 97 2.3-3.1 7174/7185=47, 2595=42...(14) 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 - 7.6-8.6 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 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 99 0 - 6.2-7.3 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 4 assignments used, quality = 1.00: * H PHE 89 + QB ALA 88 OK 100 100 100 100 2.6-3.1 3.7=100 H HIS 10 - QB ALA 88 far 0 71 0 - 5.1-41.6 H HIS 8 - QB ALA 88 far 0 60 0 - 8.4-47.2 H HIS 7 - QB ALA 88 far 0 99 0 - 8.6-50.3 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 2 assignments used, quality = 1.00: * H PHE 89 + HA PHE 89 OK 100 100 100 100 2.7-2.9 2.9=100 H HIS 10 - HA PHE 89 far 0 71 0 - 9.2-45.8 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): 2 out of 3 assignments used, quality = 1.00: * HB2 PHE 89 + HA PHE 89 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 PHE 89 + HA PHE 89 OK 85 85 100 100 3.0-3.0 3.0=100 HB3 CYS 73 - HA PHE 89 far 0 99 0 - 6.1-7.0 Violated in 0 structures by 0.00 A. Peak 2758 from cnoeabs.peaks (3.33, 4.08, 62.01 ppm; 4.89 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 89 + HA PHE 89 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 PHE 89 + HA PHE 89 OK 85 85 100 100 2.4-2.6 3.0=100 HB3 CYS 73 - HA PHE 89 far 0 96 0 - 6.1-7.0 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 2.6-3.2 3.1=100 HE ARG 135 - HA PHE 89 far 0 93 0 - 6.6-10.0 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 4.4-4.9 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 3.9-4.1 7247=100, 7257/2897=92...(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 2 assignments used, quality = 1.00: * QB ALA 92 + HA PHE 89 OK 100 100 100 100 3.2-3.9 2897=100, 7257/7247=67...(16) HG2 LYS 86 - HA PHE 89 far 0 98 0 - 6.7-7.4 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 5 assignments used, quality = 1.00: * HA LYS 86 + HB2 PHE 89 OK 100 100 100 100 2.5-3.6 11327/2.7=96...(13) HA LYS 86 + HB3 PHE 89 OK 61 61 100 100 2.2-2.6 11327/2.7=96...(13) HB2 SER 94 - HB3 PHE 89 far 0 51 0 - 7.8-9.3 HB2 SER 94 - HB2 PHE 89 far 0 92 0 - 9.2-10.5 HA LEU 70 - HB3 PHE 89 far 0 60 0 - 9.7-10.4 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 2.2-2.8 3.5=100 H PHE 89 + HB3 PHE 89 OK 61 61 100 100 2.4-2.9 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 5 assignments used, quality = 1.00: * HA PHE 89 + HB2 PHE 89 OK 100 100 100 100 2.4-2.6 3.0=100 HA PHE 89 + HB3 PHE 89 OK 61 61 100 100 3.0-3.0 3.0=100 HB3 SER 74 - HB3 PHE 89 far 0 48 0 - 8.6-10.3 HB2 SER 74 - HB3 PHE 89 far 0 47 0 - 8.8-10.3 HA CYS 79 - HB3 PHE 89 far 0 44 0 - 9.7-10.0 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 2.3-2.5 2.7=100 QD PHE 89 + HB3 PHE 89 OK 61 61 100 100 2.3-2.6 2.7=100 HE ARG 135 - HB2 PHE 89 far 5 93 5 - 5.9-9.6 HE ARG 135 - HB3 PHE 89 far 0 52 0 - 7.3-11.3 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 3.5-3.9 4.4=100 H ARG 90 + HB3 PHE 89 OK 61 61 100 100 2.4-2.6 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 5 assignments used, quality = 1.00: * HA LYS 86 + HB3 PHE 89 OK 100 100 100 100 2.2-2.6 11327/2.7=96...(13) HA LYS 86 + HB2 PHE 89 OK 61 61 100 100 2.5-3.6 11327/2.7=96...(13) HB2 SER 94 - HB3 PHE 89 far 0 92 0 - 7.8-9.3 HB2 SER 94 - HB2 PHE 89 far 0 51 0 - 9.2-10.5 HA LEU 70 - HB3 PHE 89 far 0 99 0 - 9.7-10.4 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 2.4-2.9 3.5=100 H PHE 89 + HB2 PHE 89 OK 61 61 100 100 2.2-2.8 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 5 assignments used, quality = 1.00: * HA PHE 89 + HB3 PHE 89 OK 100 100 100 100 3.0-3.0 3.0=100 HA PHE 89 + HB2 PHE 89 OK 61 61 100 100 2.4-2.6 3.0=100 HB3 SER 74 - HB3 PHE 89 far 0 89 0 - 8.6-10.3 HB2 SER 74 - HB3 PHE 89 far 0 87 0 - 8.8-10.3 HA CYS 79 - HB3 PHE 89 far 0 83 0 - 9.7-10.0 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): 2 out of 4 assignments used, quality = 1.00: * QD PHE 89 + HB3 PHE 89 OK 100 100 100 100 2.3-2.6 2.7=100 QD PHE 89 + HB2 PHE 89 OK 61 61 100 100 2.3-2.5 2.7=100 HE ARG 135 - HB2 PHE 89 far 3 52 5 - 5.9-9.6 HE ARG 135 - HB3 PHE 89 far 0 93 0 - 7.3-11.3 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 2.4-2.6 4.4=100 H ARG 90 + HB2 PHE 89 OK 61 61 100 100 3.5-3.9 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 2.9-2.9 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 4 assignments used, quality = 1.00: * HB2 ARG 90 + HA ARG 90 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 MET 11 - HA ARG 90 far 0 97 0 - 5.8-39.2 HB2 LYS 95 - HA ARG 90 far 0 73 0 - 7.1-8.4 HB3 LYS 95 - HA ARG 90 far 0 65 0 - 8.7-9.5 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 5 assignments used, quality = 1.00: * HB3 ARG 90 + HA ARG 90 OK 100 100 100 100 2.4-2.7 3.0=100 HB2 MET 11 - HA ARG 90 far 0 63 0 - 5.8-39.2 HB2 LYS 95 - HA ARG 90 far 0 93 0 - 7.1-8.4 HB3 LYS 86 - HA ARG 90 far 0 100 0 - 7.8-8.8 HB3 LYS 95 - HA ARG 90 far 0 97 0 - 8.7-9.5 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 7 assignments used, quality = 1.00: * HG2 ARG 90 + HA ARG 90 OK 100 100 100 100 2.6-3.1 3.8=100 HB2 GLU 91 - HA ARG 90 far 0 63 0 - 5.6-5.9 HB3 GLU 91 - HA ARG 90 far 0 97 0 - 6.6-6.6 HB3 MET 11 - HA ARG 90 far 0 100 0 - 7.2-38.8 HB ILE 129 - HA ARG 90 far 0 83 0 - 7.5-8.7 QE MET 11 - HA ARG 90 far 0 87 0 - 7.9-34.6 HB VAL 20 - HA ARG 90 far 0 81 0 - 9.9-34.5 Violated in 0 structures by 0.00 A. Peak 2788 from cnoeabs.peaks (1.73, 3.79, 59.97 ppm; 3.75 A): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 90 + HA ARG 90 OK 100 100 100 100 2.5-3.8 2824=95, 1.8/2787=72...(24) HG13 ILE 129 - HA ARG 90 far 0 96 0 - 4.8-8.2 HB ILE 80 - HA ARG 90 far 0 100 0 - 8.2-8.8 HB2 LEU 70 - HA ARG 90 far 0 81 0 - 9.2-10.0 HG LEU 98 - HA ARG 90 far 0 76 0 - 9.4-11.4 HB2 LYS 19 - HA ARG 90 far 0 87 0 - 9.6-39.4 Violated in 1 structures by 0.00 A. Peak 2789 from cnoeabs.peaks (3.17, 3.79, 59.97 ppm; 5.37 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 90 + HA ARG 90 OK 100 100 100 100 2.2-4.7 5.2=100 HD3 ARG 90 + HA ARG 90 OK 100 100 100 100 1.9-4.6 5.2=100 HB2 HIS 10 - HA ARG 90 far 0 100 0 - 8.5-41.4 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 3 assignments used, quality = 1.00: * HD3 ARG 90 + HA ARG 90 OK 100 100 100 100 1.9-4.6 5.2=100 HD2 ARG 90 + HA ARG 90 OK 100 100 100 100 2.2-4.7 5.2=100 HB2 HIS 10 - HA ARG 90 far 0 100 0 - 8.5-41.4 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 4 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 - 7.5-7.8 H ALA 15 - HA ARG 90 far 0 89 0 - 9.6-38.9 H VAL 133 - HA ARG 90 far 0 83 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 2792 from cnoeabs.peaks (8.43, 3.79, 59.97 ppm; 5.29 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 93 + HA ARG 90 OK 100 100 100 100 2.9-3.4 7262=100, 2918/9953=90...(13) H MET 11 - HA ARG 90 far 0 78 0 - 6.2-39.2 H SER 74 - HA ARG 90 far 0 63 0 - 6.5-7.1 H ASN 13 - HA ARG 90 far 0 100 0 - 8.7-36.7 H ALA 12 - HA ARG 90 far 0 97 0 - 8.8-36.9 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 2 assignments used, quality = 1.00: * HB VAL 93 + HA ARG 90 OK 100 100 100 100 1.8-2.2 2.1/9953=72, 2.1/9962=68...(13) HB3 LYS 19 - HA ARG 90 far 0 90 0 - 9.5-38.2 Violated in 0 structures by 0.00 A. Peak 2794 from cnoeabs.peaks (4.26, 1.91, 29.98 ppm; 6.03 A): 1 out of 8 assignments used, quality = 1.00: * HA PHE 87 + HB2 ARG 90 OK 100 100 100 100 3.3-3.8 2723=100, 2804/1.8=93...(9) HA SER 74 - HB2 ARG 90 far 3 68 5 - 6.2-7.7 HA ALA 12 - HB2 ARG 90 far 0 83 0 - 7.2-36.9 HA ALA 15 - HB2 ARG 90 far 0 83 0 - 8.1-41.9 HA ALA 16 - HB2 ARG 90 far 0 97 0 - 8.6-41.6 HA THR 18 - HB2 ARG 90 far 0 65 0 - 9.1-36.4 HA ARG 84 - HB2 ARG 90 far 0 89 0 - 9.2-9.8 HA ALA 21 - HB2 ARG 90 far 0 71 0 - 9.4-32.5 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 2.1-2.5 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 3 assignments used, quality = 1.00: * HA ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 SER 9 - HB2 ARG 90 far 0 97 0 - 8.1-45.7 HB2 SER 9 - HB2 ARG 90 far 0 97 0 - 8.6-46.6 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 4 assignments used, quality = 1.00: * HB3 ARG 90 + HB2 ARG 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 MET 11 - HB2 ARG 90 far 0 63 0 - 5.1-40.2 HB3 LYS 86 - HB2 ARG 90 far 0 100 0 - 6.1-7.4 HB2 LYS 95 - HB2 ARG 90 far 0 93 0 - 8.5-10.3 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 7 assignments used, quality = 1.00: * HG2 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.4-2.6 2.9=100 HB2 GLU 91 - HB2 ARG 90 poor 7 63 45 25 4.2-5.2 2861/4.4=20, ~4038=6 HB3 GLU 91 - HB2 ARG 90 far 0 97 0 - 5.5-6.3 HB3 MET 11 - HB2 ARG 90 far 0 100 0 - 6.3-38.8 HB VAL 20 - HB2 ARG 90 far 0 81 0 - 7.6-34.7 QE MET 11 - HB2 ARG 90 far 0 87 0 - 8.2-34.8 HB ILE 129 - HB2 ARG 90 far 0 83 0 - 10.0-11.1 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 2.3-3.0 2.9=100 HG13 ILE 129 - HB2 ARG 90 far 0 96 0 - 7.2-10.8 HB ILE 80 - HB2 ARG 90 far 0 100 0 - 7.3-8.8 HB2 LYS 19 - HB2 ARG 90 far 0 87 0 - 8.7-39.3 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 4 assignments used, quality = 1.00: * HD2 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.8-4.2 3.8=100 HD3 ARG 90 + HB2 ARG 90 OK 100 100 100 100 3.2-4.2 3.8=100 HB2 HIS 10 - HB2 ARG 90 far 0 100 0 - 6.5-43.6 HD3 ARG 23 - HB2 ARG 90 far 0 100 0 - 9.8-31.7 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 4 assignments used, quality = 1.00: * HD3 ARG 90 + HB2 ARG 90 OK 100 100 100 100 3.2-4.2 3.8=100 HD2 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.8-4.2 3.8=100 HB2 HIS 10 - HB2 ARG 90 far 0 100 0 - 6.5-43.6 HD3 ARG 23 - HB2 ARG 90 far 0 100 0 - 9.8-31.7 Violated in 0 structures by 0.00 A. Peak 2803 from cnoeabs.peaks (8.13, 1.91, 29.98 ppm; 4.69 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 91 + HB2 ARG 90 OK 100 100 100 100 2.5-3.0 4.4=100 H PHE 87 - HB2 ARG 90 far 0 98 0 - 5.3-6.0 H ALA 15 - HB2 ARG 90 far 0 89 0 - 7.2-39.0 Violated in 0 structures by 0.00 A. Peak 2804 from cnoeabs.peaks (4.26, 1.95, 29.98 ppm; 5.47 A): 1 out of 6 assignments used, quality = 1.00: * HA PHE 87 + HB3 ARG 90 OK 100 100 100 100 4.6-5.5 2723/1.8=98...(8) HA SER 74 - HB3 ARG 90 far 7 68 10 - 6.0-6.7 HA ALA 12 - HB3 ARG 90 far 0 83 0 - 7.4-35.1 HA ALA 15 - HB3 ARG 90 far 0 83 0 - 7.8-40.9 HA ALA 16 - HB3 ARG 90 far 0 97 0 - 7.9-40.8 HA THR 18 - HB3 ARG 90 far 0 65 0 - 8.4-35.7 Violated in 1 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 3.4-3.6 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 2.4-2.7 3.0=100 HB3 SER 9 - HB3 ARG 90 far 0 97 0 - 7.0-44.0 HB2 SER 9 - HB3 ARG 90 far 0 97 0 - 7.6-44.8 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 4 assignments used, quality = 1.00: * HB2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 MET 11 - HB3 ARG 90 far 0 97 0 - 3.7-38.4 HB2 LYS 95 - HB3 ARG 90 far 0 73 0 - 8.0-9.6 HB3 LYS 95 - HB3 ARG 90 far 0 65 0 - 9.5-10.5 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): 1 out of 6 assignments used, quality = 1.00: * HG2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 GLU 91 - HB3 ARG 90 far 0 63 0 - 5.0-6.1 HB3 MET 11 - HB3 ARG 90 far 0 100 0 - 5.1-37.6 HB3 GLU 91 - HB3 ARG 90 far 0 97 0 - 6.0-6.4 QE MET 11 - HB3 ARG 90 far 0 87 0 - 6.9-33.7 HB VAL 20 - HB3 ARG 90 far 0 81 0 - 8.2-33.9 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 5 assignments used, quality = 1.00: * HG3 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.4-2.6 2.9=100 HG13 ILE 129 - HB3 ARG 90 far 0 96 0 - 7.2-10.6 HB2 LYS 19 - HB3 ARG 90 far 0 87 0 - 8.4-38.7 HB ILE 80 - HB3 ARG 90 far 0 100 0 - 8.8-9.5 HG LEU 98 - HB3 ARG 90 far 0 76 0 - 9.4-12.0 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 3.4-3.8 3.8=100 HD3 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.1-3.6 3.8=100 HB2 HIS 10 - HB3 ARG 90 far 0 100 0 - 6.5-41.8 HD3 ARG 23 - HB3 ARG 90 far 0 100 0 - 9.3-31.0 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 2.1-3.6 3.8=100 HD2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 3.4-3.8 3.8=100 HB2 HIS 10 - HB3 ARG 90 far 0 100 0 - 6.5-41.8 HD3 ARG 23 - HB3 ARG 90 far 0 100 0 - 9.3-31.0 Violated in 0 structures by 0.00 A. Peak 2813 from cnoeabs.peaks (8.13, 1.95, 29.98 ppm; 4.78 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 91 + HB3 ARG 90 OK 100 100 100 100 3.3-3.7 4.4=100 H PHE 87 - HB3 ARG 90 far 0 98 0 - 7.0-7.6 H ALA 15 - HB3 ARG 90 far 0 89 0 - 7.4-38.0 Violated in 0 structures by 0.00 A. Peak 2814 from cnoeabs.peaks (8.56, 2.02, 28.15 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.3-3.2 7219=100, 7220/1.8=80...(22) H ALA 46 - HB2 GLU 44 far 0 54 0 - 5.3-5.4 H ALA 46 - HB3 GLU 40 far 0 40 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 2815 from cnoeabs.peaks (3.79, 2.02, 28.15 ppm; 4.55 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.6-3.1 3.8=100 HD3 PRO 58 + HG2 PRO 58 OK 35 35 100 100 3.0-3.0 2.3=100 HA LEU 43 - HB2 GLU 44 far 0 88 0 - 6.6-6.6 HA LEU 43 - HB3 GLU 40 far 0 70 0 - 7.8-8.1 HB2 SER 130 - HB2 GLU 44 far 0 56 0 - 8.3-10.1 HB3 SER 130 - HB2 GLU 44 far 0 75 0 - 9.3-10.8 HA VAL 133 - HG2 ARG 90 far 0 65 0 - 9.6-10.2 HA SER 130 - HB2 GLU 44 far 0 89 0 - 9.8-10.3 HB2 SER 130 - HB3 GLU 40 far 0 43 0 - 9.9-12.4 HB3 SER 9 - HG2 ARG 90 far 0 97 0 - 10.0-45.6 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 6 assignments used, quality = 1.00: * HB2 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.4-2.6 2.9=100 HB2 GLU 40 + HB3 GLU 40 OK 69 69 100 100 1.8-1.8 1.8=100 HB3 LEU 48 - HB2 GLU 44 far 0 77 0 - 5.9-7.0 HB2 GLU 40 - HB2 GLU 44 far 0 86 0 - 6.0-7.9 HB2 MET 11 - HG2 ARG 90 far 0 97 0 - 6.1-39.9 HB2 LYS 95 - HG2 ARG 90 far 0 73 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 2817 from cnoeabs.peaks (1.95, 2.02, 28.15 ppm; 4.35 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 PRO 58 + HG2 PRO 58 OK 61 61 100 100 2.3-2.3 2.3=100 HB3 LYS 86 - HG2 ARG 90 far 0 100 0 - 5.1-7.3 HB2 MET 11 - HG2 ARG 90 far 0 63 0 - 6.1-39.9 HB ILE 37 - HB3 GLU 40 far 0 64 0 - 8.9-9.2 HB2 LYS 95 - HG2 ARG 90 far 0 93 0 - 10.0-11.4 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 12 assignments used, quality = 1.00: * HG3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 48 - HB2 GLU 44 far 0 77 0 - 4.3-5.4 HB2 LEU 43 - HB3 GLU 40 far 0 78 0 - 5.2-6.8 HB2 LYS 39 - HB3 GLU 40 far 0 40 0 - 5.3-6.7 HD3 LYS 39 - HB3 GLU 40 far 0 60 0 - 5.8-8.6 HB2 LEU 43 - HB2 GLU 44 far 0 95 0 - 5.8-6.1 HB ILE 80 - HG2 ARG 90 far 0 100 0 - 6.2-6.5 HG13 ILE 129 - HG2 ARG 90 far 0 96 0 - 6.8-10.3 HB2 LYS 19 - HG2 ARG 90 far 0 87 0 - 7.6-37.6 HB2 LYS 39 - HB2 GLU 44 far 0 54 0 - 9.5-11.6 HB2 LEU 70 - HG2 ARG 90 far 0 81 0 - 9.6-11.9 HD3 LYS 39 - HB2 GLU 44 far 0 77 0 - 10.0-13.2 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 5 assignments used, quality = 1.00: * HD2 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-2.3 3.0=100 HD3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 HIS 10 - HG2 ARG 90 far 0 100 0 - 8.9-43.2 HD3 ARG 23 - HG2 ARG 90 far 0 100 0 - 9.7-30.2 HB3 HIS 3 - HB2 GLU 44 far 0 81 0 - 9.7-67.6 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 5 assignments used, quality = 1.00: * HD3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.6-3.0 3.0=100 HD2 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-2.3 3.0=100 HB2 HIS 10 - HG2 ARG 90 far 0 100 0 - 8.9-43.2 HD3 ARG 23 - HG2 ARG 90 far 0 100 0 - 9.7-30.2 HB3 HIS 3 - HB2 GLU 44 far 0 85 0 - 9.7-67.6 Violated in 0 structures by 0.00 A. Peak 2822 from cnoeabs.peaks (8.13, 2.02, 28.15 ppm; 4.56 A increased from 4.29 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 91 + HG2 ARG 90 OK 100 100 100 100 4.2-4.9 7233/2.9=78...(10) H PHE 87 - HG2 ARG 90 far 0 98 0 - 5.2-6.9 H ALA 15 - HG2 ARG 90 far 0 89 0 - 8.2-37.8 H VAL 133 - HG2 ARG 90 far 0 83 0 - 9.9-10.5 Violated in 3 structures by 0.03 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 3.4-4.3 7220=100, 7219/1.8=92...(24) Violated in 1 structures by 0.00 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 2.5-3.8 3.8=100 HB3 SER 9 - HG3 ARG 90 far 0 97 0 - 9.2-45.0 HB2 SER 9 - HG3 ARG 90 far 0 97 0 - 10.0-45.8 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 2.3-3.0 2.9=100 HB2 MET 11 - HG3 ARG 90 far 5 97 5 - 4.6-39.3 HB2 LYS 95 - HG3 ARG 90 far 0 73 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 2826 from cnoeabs.peaks (1.95, 1.73, 28.15 ppm; 3.80 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.4-2.6 2.9=100 HB2 MET 11 - HG3 ARG 90 far 0 63 0 - 4.6-39.3 HB3 LYS 86 - HG3 ARG 90 far 0 100 0 - 5.8-8.8 HB2 LYS 95 - HG3 ARG 90 far 0 93 0 - 9.5-11.7 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 MET 11 - HG3 ARG 90 far 0 100 0 - 5.3-37.8 HB2 GLU 91 - HG3 ARG 90 far 0 63 0 - 6.4-7.6 QE MET 11 - HG3 ARG 90 far 0 87 0 - 7.5-33.2 HB3 GLU 91 - HG3 ARG 90 far 0 97 0 - 7.7-8.3 HB VAL 20 - HG3 ARG 90 far 0 81 0 - 8.2-32.3 HB ILE 129 - HG3 ARG 90 far 0 83 0 - 9.4-11.8 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 5 assignments used, quality = 1.00: * HD2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 HIS 10 - HG3 ARG 90 far 0 100 0 - 8.0-42.8 HD3 ARG 23 - HG3 ARG 90 far 0 100 0 - 8.0-29.3 HD2 ARG 23 - HG3 ARG 90 far 0 100 0 - 8.8-29.4 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 5 assignments used, quality = 1.00: * HD3 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-2.9 3.0=100 HD2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 HIS 10 - HG3 ARG 90 far 0 100 0 - 8.0-42.8 HD3 ARG 23 - HG3 ARG 90 far 0 100 0 - 8.0-29.3 HD2 ARG 23 - HG3 ARG 90 far 0 100 0 - 8.8-29.4 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 4.7-5.2 7235=100, 2822/1.8=100...(11) H PHE 87 + HG3 ARG 90 OK 83 98 85 100 5.9-8.2 ~2723=62, ~2804=53...(13) H ALA 15 - HG3 ARG 90 far 0 89 0 - 6.6-36.7 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 3.6-4.7 7219/3.0=85, 7220/3.0=78...(23) H ARG 90 + HD3 ARG 90 OK 95 100 95 100 4.0-5.4 7219/3.0=85, 7220/3.0=78...(23) 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 5 assignments used, quality = 1.00: * HA ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-4.7 2788/3.0=76, 2787/3.0=76...(31) HA ARG 90 + HD3 ARG 90 OK 100 100 100 100 1.9-4.6 2788/3.0=76, 2787/3.0=76...(31) HB3 SER 9 - HD3 ARG 90 far 0 96 0 - 8.5-43.3 HB2 SER 9 - HD3 ARG 90 far 0 97 0 - 8.9-44.0 HA VAL 133 - HD2 ARG 90 far 0 65 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 2834 from cnoeabs.peaks (1.91, 3.17, 43.40 ppm; 4.24 A increased from 3.99 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.8-4.2 3.8=100 HB2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 3.2-4.2 3.8=100 HB2 MET 11 - HD3 ARG 90 far 5 97 5 - 4.8-37.6 HB2 MET 11 - HD2 ARG 90 far 0 97 0 - 5.9-38.0 HB2 LYS 95 - HD3 ARG 90 far 0 73 0 - 8.8-11.7 HB2 LYS 95 - HD2 ARG 90 far 0 73 0 - 9.4-12.1 HB3 LYS 36 - HD3 ARG 23 far 0 50 0 - 9.6-23.1 HB2 ARG 90 - HD3 ARG 23 far 0 92 0 - 9.8-31.7 Violated in 0 structures by 0.00 A. Peak 2835 from cnoeabs.peaks (1.95, 3.17, 43.40 ppm; 3.92 A): 2 out of 17 assignments used, quality = 1.00: * HB3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 3.4-3.8 3.8=100 HB3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.1-3.6 3.8=100 HB2 MET 11 - HD3 ARG 90 far 0 62 0 - 4.8-37.6 HB2 GLN 27 - HD2 ARG 23 far 0 82 0 - 5.5-16.1 HB2 MET 11 - HD2 ARG 90 far 0 63 0 - 5.9-38.0 HB3 LYS 86 - HD2 ARG 90 far 0 100 0 - 6.2-7.8 HB2 GLN 27 - HD3 ARG 23 far 0 82 0 - 6.8-16.4 HB3 LYS 86 - HD3 ARG 90 far 0 100 0 - 7.1-8.9 HB2 GLU 30 - HD3 ARG 23 far 0 91 0 - 7.9-20.5 HB3 PRO 81 - HD3 ARG 23 far 0 91 0 - 8.3-32.3 HB3 LYS 86 - HD3 ARG 23 far 0 91 0 - 8.5-30.5 HB3 PRO 81 - HD2 ARG 23 far 0 91 0 - 8.7-32.6 HB2 LYS 95 - HD3 ARG 90 far 0 93 0 - 8.8-11.7 HB3 ARG 90 - HD3 ARG 23 far 0 92 0 - 9.3-31.0 HB2 LYS 95 - HD2 ARG 90 far 0 93 0 - 9.4-12.1 HB2 GLU 30 - HD2 ARG 23 far 0 91 0 - 9.6-19.5 HB ILE 37 - HD3 ARG 23 far 0 77 0 - 9.6-26.1 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 22 assignments used, quality = 1.00: * HG2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-2.3 3.0=100 HG2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.6-3.0 3.0=100 HB VAL 20 - HD3 ARG 23 far 7 69 10 - 3.4-8.3 HB VAL 20 - HD2 ARG 23 far 7 69 10 - 3.5-8.3 HB VAL 20 - HD2 ARG 90 far 0 81 0 - 5.4-31.7 HB3 MET 11 - HD3 ARG 90 far 0 100 0 - 5.9-37.0 HB VAL 20 - HD3 ARG 90 far 0 80 0 - 6.1-32.6 HB3 MET 11 - HD2 ARG 90 far 0 100 0 - 6.6-36.9 QE MET 11 - HD3 ARG 90 far 0 86 0 - 6.8-33.1 HB2 GLU 91 - HD3 ARG 90 far 0 62 0 - 7.1-9.0 HB2 GLU 91 - HD2 ARG 90 far 0 63 0 - 7.4-8.2 QE MET 11 - HD2 ARG 90 far 0 87 0 - 7.5-33.2 HB3 GLU 91 - HD3 ARG 90 far 0 97 0 - 8.0-9.7 HB ILE 129 - HD2 ARG 90 far 0 83 0 - 8.2-11.4 HB3 GLU 91 - HD2 ARG 90 far 0 97 0 - 8.6-9.4 HB ILE 129 - HD3 ARG 90 far 0 82 0 - 8.6-11.9 HB3 GLU 30 - HD3 ARG 23 far 0 92 0 - 8.9-21.5 HB3 GLU 30 - HD2 ARG 23 far 0 92 0 - 9.1-20.5 HG3 PRO 81 - HD2 ARG 23 far 0 50 0 - 9.2-32.4 HG3 PRO 81 - HD3 ARG 23 far 0 50 0 - 9.2-32.1 HG2 ARG 90 - HD3 ARG 23 far 0 92 0 - 9.7-30.2 HG2 PRO 81 - HD3 ARG 23 far 0 62 0 - 9.9-32.9 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 29 assignments used, quality = 1.00: * HG3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 ARG 23 + HD3 ARG 23 OK 64 65 100 99 2.1-3.9 3.7=94, 1.8/464=27...(15) HB2 ARG 23 + HD2 ARG 23 OK 64 65 100 99 2.0-3.4 3.7=94, 1.8/464=28...(15) HB2 LYS 24 - HD3 ARG 23 far 0 81 0 - 5.1-9.4 HB2 LYS 19 - HD3 ARG 90 far 0 86 0 - 5.2-37.5 HB2 LYS 31 - HD2 ARG 23 far 0 86 0 - 5.2-19.4 HB2 LYS 19 - HD2 ARG 23 far 0 75 0 - 6.0-12.4 HB2 LYS 31 - HD3 ARG 23 far 0 86 0 - 6.1-19.7 HG13 ILE 129 - HD3 ARG 90 far 0 95 0 - 6.2-12.2 HG13 ILE 129 - HD2 ARG 90 far 0 96 0 - 6.2-12.1 HB2 LYS 19 - HD2 ARG 90 far 0 87 0 - 6.2-36.5 HB ILE 80 - HD2 ARG 90 far 0 100 0 - 6.4-7.0 HB2 LYS 24 - HD2 ARG 23 far 0 81 0 - 6.5-9.5 HB2 LYS 19 - HD3 ARG 23 far 0 75 0 - 6.6-13.0 HB2 LYS 26 - HD2 ARG 23 far 0 75 0 - 6.7-13.6 HB2 LYS 26 - HD3 ARG 23 far 0 75 0 - 6.9-14.4 HB ILE 80 - HD3 ARG 90 far 0 99 0 - 7.2-8.4 HG3 ARG 90 - HD3 ARG 23 far 0 92 0 - 8.0-29.3 HB2 ARG 23 - HD2 ARG 90 far 0 76 0 - 8.3-27.7 HB2 ARG 23 - HD3 ARG 90 far 0 75 0 - 8.4-28.6 HB ILE 80 - HD3 ARG 23 far 0 91 0 - 8.4-29.2 HB2 LEU 70 - HD3 ARG 90 far 0 80 0 - 8.7-11.2 HG3 ARG 90 - HD2 ARG 23 far 0 92 0 - 8.8-29.4 HB2 LEU 70 - HD3 ARG 23 far 0 69 0 - 8.9-29.7 HB2 LEU 70 - HD2 ARG 90 far 0 81 0 - 9.2-11.4 HB ILE 80 - HD2 ARG 23 far 0 91 0 - 9.6-29.4 HB3 LEU 70 - HD3 ARG 90 far 0 86 0 - 9.7-12.4 HG LEU 98 - HD3 ARG 90 far 0 75 0 - 9.7-14.0 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; 6.03 A increased from 5.67 A): 2 out of 16 assignments used, quality = 1.00: * H GLU 91 + HD2 ARG 90 OK 100 100 100 100 5.3-6.3 2822/3.0=93, 7233/3.8=93...(8) H GLU 91 + HD3 ARG 90 OK 100 100 100 100 5.0-6.5 2822/3.0=93, 7233/3.8=93...(8) H LEU 22 - HD3 ARG 23 poor 17 65 50 52 5.0-7.9 4.6/6207=33, ~453=9...(6) H LEU 22 - HD2 ARG 23 poor 15 65 45 52 4.0-7.6 4.6/6207=33, ~453=9...(6) H THR 25 - HD2 ARG 23 far 10 67 15 - 6.3-8.9 H PHE 87 - HD2 ARG 90 far 10 98 10 - 6.4-7.8 H THR 25 - HD3 ARG 23 far 3 67 5 - 5.5-9.2 H ILE 32 - HD2 ARG 23 far 0 81 0 - 7.2-19.2 H PHE 87 - HD3 ARG 90 far 0 98 0 - 7.3-8.4 H ILE 32 - HD3 ARG 23 far 0 81 0 - 7.3-19.9 H ALA 15 - HD3 ARG 90 far 0 88 0 - 8.3-37.0 H ASP 71 - HD3 ARG 23 far 0 85 0 - 8.4-29.3 H ALA 15 - HD2 ARG 90 far 0 89 0 - 9.0-36.5 H LEU 22 - HD3 ARG 90 far 0 75 0 - 9.4-30.6 H LEU 22 - HD2 ARG 90 far 0 76 0 - 9.4-29.6 H ASP 71 - HD2 ARG 23 far 0 85 0 - 9.6-28.7 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 + HD2 ARG 90 OK 100 100 100 100 3.6-4.7 7219/3.0=85, 7220/3.0=78...(23) * H ARG 90 + HD3 ARG 90 OK 95 100 95 100 4.0-5.4 7219/3.0=85, 7220/3.0=78...(23) 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 5 assignments used, quality = 1.00: * HA ARG 90 + HD3 ARG 90 OK 100 100 100 100 1.9-4.6 2788/3.0=76, 2787/3.0=76...(31) HA ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-4.7 2788/3.0=76, 2787/3.0=76...(31) HB3 SER 9 - HD3 ARG 90 far 0 97 0 - 8.5-43.3 HB2 SER 9 - HD3 ARG 90 far 0 97 0 - 8.9-44.0 HA VAL 133 - HD2 ARG 90 far 0 65 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 2843 from cnoeabs.peaks (1.91, 3.17, 43.40 ppm; 4.23 A increased from 3.98 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 3.2-4.2 3.8=100 HB2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.8-4.2 3.8=100 HB2 MET 11 - HD3 ARG 90 far 5 97 5 - 4.8-37.6 HB2 MET 11 - HD2 ARG 90 far 0 97 0 - 5.9-38.0 HB2 LYS 95 - HD3 ARG 90 far 0 73 0 - 8.8-11.7 HB2 LYS 95 - HD2 ARG 90 far 0 73 0 - 9.4-12.1 HB3 LYS 36 - HD3 ARG 23 far 0 51 0 - 9.6-23.1 HB2 ARG 90 - HD3 ARG 23 far 0 93 0 - 9.8-31.7 Violated in 0 structures by 0.00 A. Peak 2844 from cnoeabs.peaks (1.95, 3.17, 43.40 ppm; 3.91 A): 2 out of 17 assignments used, quality = 1.00: * HB3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.1-3.6 3.8=100 HB3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 3.4-3.8 3.8=100 HB2 MET 11 - HD3 ARG 90 far 0 63 0 - 4.8-37.6 HB2 GLN 27 - HD2 ARG 23 far 0 83 0 - 5.5-16.1 HB2 MET 11 - HD2 ARG 90 far 0 62 0 - 5.9-38.0 HB3 LYS 86 - HD2 ARG 90 far 0 100 0 - 6.2-7.8 HB2 GLN 27 - HD3 ARG 23 far 0 83 0 - 6.8-16.4 HB3 LYS 86 - HD3 ARG 90 far 0 100 0 - 7.1-8.9 HB2 GLU 30 - HD3 ARG 23 far 0 92 0 - 7.9-20.5 HB3 PRO 81 - HD3 ARG 23 far 0 91 0 - 8.3-32.3 HB3 LYS 86 - HD3 ARG 23 far 0 92 0 - 8.5-30.5 HB3 PRO 81 - HD2 ARG 23 far 0 91 0 - 8.7-32.6 HB2 LYS 95 - HD3 ARG 90 far 0 93 0 - 8.8-11.7 HB3 ARG 90 - HD3 ARG 23 far 0 93 0 - 9.3-31.0 HB2 LYS 95 - HD2 ARG 90 far 0 93 0 - 9.4-12.1 HB2 GLU 30 - HD2 ARG 23 far 0 92 0 - 9.6-19.5 HB ILE 37 - HD3 ARG 23 far 0 78 0 - 9.6-26.1 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 22 assignments used, quality = 1.00: * HG2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-2.3 3.0=100 HB VAL 20 - HD3 ARG 23 far 7 70 10 - 3.4-8.3 HB VAL 20 - HD2 ARG 23 far 7 70 10 - 3.5-8.3 HB VAL 20 - HD2 ARG 90 far 0 80 0 - 5.4-31.7 HB3 MET 11 - HD3 ARG 90 far 0 100 0 - 5.9-37.0 HB VAL 20 - HD3 ARG 90 far 0 81 0 - 6.1-32.6 HB3 MET 11 - HD2 ARG 90 far 0 100 0 - 6.6-36.9 QE MET 11 - HD3 ARG 90 far 0 87 0 - 6.8-33.1 HB2 GLU 91 - HD3 ARG 90 far 0 63 0 - 7.1-9.0 HB2 GLU 91 - HD2 ARG 90 far 0 62 0 - 7.4-8.2 QE MET 11 - HD2 ARG 90 far 0 86 0 - 7.5-33.2 HB3 GLU 91 - HD3 ARG 90 far 0 97 0 - 8.0-9.7 HB ILE 129 - HD2 ARG 90 far 0 82 0 - 8.2-11.4 HB3 GLU 91 - HD2 ARG 90 far 0 97 0 - 8.6-9.4 HB ILE 129 - HD3 ARG 90 far 0 83 0 - 8.6-11.9 HB3 GLU 30 - HD3 ARG 23 far 0 93 0 - 8.9-21.5 HB3 GLU 30 - HD2 ARG 23 far 0 93 0 - 9.1-20.5 HG3 PRO 81 - HD2 ARG 23 far 0 51 0 - 9.2-32.4 HG3 PRO 81 - HD3 ARG 23 far 0 51 0 - 9.2-32.1 HG2 ARG 90 - HD3 ARG 23 far 0 93 0 - 9.7-30.2 HG2 PRO 81 - HD3 ARG 23 far 0 63 0 - 9.9-32.9 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 29 assignments used, quality = 1.00: * HG3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ARG 23 + HD3 ARG 23 OK 65 66 100 99 2.1-3.9 3.7=95, 1.8/464=27...(15) HB2 ARG 23 + HD2 ARG 23 OK 65 66 100 99 2.0-3.4 3.7=95, 1.8/464=28...(15) HB2 LYS 24 - HD3 ARG 23 far 0 82 0 - 5.1-9.4 HB2 LYS 19 - HD3 ARG 90 far 0 87 0 - 5.2-37.5 HB2 LYS 31 - HD2 ARG 23 far 0 87 0 - 5.2-19.4 HB2 LYS 19 - HD2 ARG 23 far 0 76 0 - 6.0-12.4 HB2 LYS 31 - HD3 ARG 23 far 0 87 0 - 6.1-19.7 HG13 ILE 129 - HD3 ARG 90 far 0 96 0 - 6.2-12.2 HG13 ILE 129 - HD2 ARG 90 far 0 95 0 - 6.2-12.1 HB2 LYS 19 - HD2 ARG 90 far 0 86 0 - 6.2-36.5 HB ILE 80 - HD2 ARG 90 far 0 99 0 - 6.4-7.0 HB2 LYS 24 - HD2 ARG 23 far 0 82 0 - 6.5-9.5 HB2 LYS 19 - HD3 ARG 23 far 0 76 0 - 6.6-13.0 HB2 LYS 26 - HD2 ARG 23 far 0 76 0 - 6.7-13.6 HB2 LYS 26 - HD3 ARG 23 far 0 76 0 - 6.9-14.4 HB ILE 80 - HD3 ARG 90 far 0 100 0 - 7.2-8.4 HG3 ARG 90 - HD3 ARG 23 far 0 93 0 - 8.0-29.3 HB2 ARG 23 - HD2 ARG 90 far 0 75 0 - 8.3-27.7 HB2 ARG 23 - HD3 ARG 90 far 0 76 0 - 8.4-28.6 HB ILE 80 - HD3 ARG 23 far 0 92 0 - 8.4-29.2 HB2 LEU 70 - HD3 ARG 90 far 0 81 0 - 8.7-11.2 HG3 ARG 90 - HD2 ARG 23 far 0 93 0 - 8.8-29.4 HB2 LEU 70 - HD3 ARG 23 far 0 70 0 - 8.9-29.7 HB2 LEU 70 - HD2 ARG 90 far 0 80 0 - 9.2-11.4 HB ILE 80 - HD2 ARG 23 far 0 92 0 - 9.6-29.4 HB3 LEU 70 - HD3 ARG 90 far 0 87 0 - 9.7-12.4 HG LEU 98 - HD3 ARG 90 far 0 76 0 - 9.7-14.0 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; 6.03 A increased from 5.67 A): 2 out of 16 assignments used, quality = 1.00: * H GLU 91 + HD3 ARG 90 OK 100 100 100 100 5.0-6.5 2822/3.0=93, 7233/3.8=93...(8) H GLU 91 + HD2 ARG 90 OK 100 100 100 100 5.3-6.3 2822/3.0=93, 7233/3.8=93...(8) H LEU 22 - HD3 ARG 23 poor 17 66 50 52 5.0-7.9 4.6/6207=33, ~453=9...(6) H LEU 22 - HD2 ARG 23 poor 15 66 45 52 4.0-7.6 4.6/6207=33, ~453=9...(6) H THR 25 - HD2 ARG 23 far 10 68 15 - 6.3-8.9 H PHE 87 - HD2 ARG 90 far 10 98 10 - 6.4-7.8 H THR 25 - HD3 ARG 23 far 3 68 5 - 5.5-9.2 H ILE 32 - HD2 ARG 23 far 0 82 0 - 7.2-19.2 H PHE 87 - HD3 ARG 90 far 0 98 0 - 7.3-8.4 H ILE 32 - HD3 ARG 23 far 0 82 0 - 7.3-19.9 H ALA 15 - HD3 ARG 90 far 0 89 0 - 8.3-37.0 H ASP 71 - HD3 ARG 23 far 0 86 0 - 8.4-29.3 H ALA 15 - HD2 ARG 90 far 0 88 0 - 9.0-36.5 H LEU 22 - HD3 ARG 90 far 0 76 0 - 9.4-30.6 H LEU 22 - HD2 ARG 90 far 0 75 0 - 9.4-29.6 H ASP 71 - HD2 ARG 23 far 0 86 0 - 9.6-28.7 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 6 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 3.4-3.7 6956=63, 6968/2290=41...(14) H ALA 15 - HA GLU 91 far 0 89 0 - 6.4-41.8 H PHE 87 - HA GLU 91 far 0 98 0 - 8.1-8.8 H VAL 133 - HA GLN 127 far 0 56 0 - 8.2-8.7 H ALA 15 - HA GLN 68 far 0 66 0 - 8.3-37.2 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): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 91 + HA GLU 91 OK 100 100 100 100 2.5-3.0 3.0=100 HB ILE 129 - HA GLN 127 far 0 73 0 - 5.4-5.8 HB3 MET 11 - HA GLU 91 far 0 63 0 - 5.9-40.7 HG2 ARG 90 - HA GLU 91 far 0 63 0 - 6.4-6.6 HB3 LEU 53 - HA GLN 127 far 0 76 0 - 7.6-9.6 HB2 GLN 134 - HA GLN 127 far 0 44 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 2853 from cnoeabs.peaks (2.03, 3.98, 58.93 ppm; 3.62 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLU 91 + HA GLU 91 OK 100 100 100 100 2.3-2.4 3.0=100 HB2 GLN 127 + HA GLN 127 OK 48 48 100 100 2.3-2.8 3.0=100 HB3 MET 11 - HA GLU 91 far 0 97 0 - 5.9-40.7 HG2 ARG 90 - HA GLU 91 far 0 97 0 - 6.4-6.6 QE MET 11 - HA GLU 91 far 0 99 0 - 6.8-36.1 QE MET 11 - HA GLN 127 far 0 73 0 - 8.9-42.8 HB2 GLN 134 - HA GLN 127 far 0 68 0 - 9.8-10.9 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 9 assignments used, quality = 1.00: * HG2 GLU 91 + HA GLU 91 OK 100 100 100 100 2.7-4.2 3.9=100 HG2 GLN 68 + HA GLN 68 OK 80 80 100 100 3.7-3.8 3.7=100 HB2 GLN 68 + HA GLN 68 OK 78 78 100 100 2.4-2.7 3.0=100 HB3 GLN 127 + HA GLN 127 OK 76 76 100 100 2.5-2.9 3.0=100 HB3 GLU 128 - HA GLN 127 far 0 76 0 - 6.1-6.5 HB3 LEU 96 - HA GLU 91 far 0 98 0 - 8.2-8.7 HB3 LEU 96 - HA GLN 127 far 0 72 0 - 8.7-9.3 HB3 GLU 97 - HA GLN 68 far 0 75 0 - 9.5-11.0 HB3 GLU 128 - HA GLU 91 far 0 100 0 - 9.8-10.6 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 7 assignments used, quality = 1.00: * HG3 GLU 91 + HA GLU 91 OK 100 100 100 100 3.5-3.8 2884=100, 7242/2.9=59...(14) HB VAL 126 + HA GLN 127 OK 26 75 35 99 4.3-4.6 2.1/10394=78...(11) HB2 GLU 128 - HA GLN 127 far 0 41 0 - 5.5-5.6 HG3 GLN 134 - HA GLN 127 far 0 42 0 - 7.8-10.0 HB2 GLU 97 - HA GLN 68 far 0 42 0 - 9.1-11.8 HB2 GLU 128 - HA GLU 91 far 0 63 0 - 9.1-10.6 HB2 GLU 97 - HA GLU 91 far 0 60 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 2856 from cnoeabs.peaks (7.82, 3.98, 58.93 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + HA GLU 91 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 2857 from cnoeabs.peaks (7.99, 3.98, 58.93 ppm; 4.51 A increased from 4.25 A): 2 out of 4 assignments used, quality = 0.98: * H SER 94 + HA GLU 91 OK 94 100 100 94 4.1-4.5 7259/3.6=61, 7275/4.8=44...(7) H ILE 129 + HA GLN 127 OK 69 70 100 99 4.3-4.8 7855/3.6=64, 7820/2.9=60...(9) H SER 51 - HA GLN 127 far 0 73 0 - 6.5-7.8 H ILE 129 - HA GLU 91 far 0 97 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 2858 from cnoeabs.peaks (3.90, 3.98, 58.93 ppm; 4.62 A increased from 4.35 A): 2 out of 12 assignments used, quality = 0.82: * HB2 SER 94 + HA GLU 91 OK 59 100 100 59 3.5-4.5 2938=38, 3.6/2857=34 HB3 SER 50 + HA GLN 127 OK 55 66 95 88 3.4-5.2 1.8/4037=52, ~10503=20...(11) HA ALA 46 - HA GLN 127 poor 15 73 20 - 5.1-5.9 HA LEU 70 - HA GLN 68 far 0 59 0 - 6.4-6.6 HA3 GLY 14 - HA GLU 91 far 0 89 0 - 7.0-41.9 HA2 GLY 14 - HA GLU 91 far 0 90 0 - 7.0-40.9 HA3 GLY 2 - HA GLN 127 far 0 72 0 - 8.4-71.8 HA ALA 46 - HA GLN 68 far 0 79 0 - 8.5-9.2 HA LYS 86 - HA GLU 91 far 0 92 0 - 8.7-9.3 HA3 GLY 75 - HA GLN 68 far 0 81 0 - 9.4-9.8 HB2 SER 33 - HA GLN 68 far 0 77 0 - 9.4-11.2 HA2 GLY 2 - HA GLN 127 far 0 72 0 - 9.5-71.7 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 4 assignments used, quality = 1.00: * HA ALA 88 + HB2 GLU 91 OK 100 100 100 100 2.5-3.1 2748=100, 2868/1.8=94...(17) HA LEU 53 - HB3 PRO 56 far 0 33 0 - 8.4-9.3 HA SER 94 - HB2 GLU 91 far 0 60 0 - 8.5-8.8 HA GLU 128 - HB2 GLU 91 far 0 99 0 - 9.3-11.6 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 2.1-2.7 4.0=84, 2869/1.8=72...(19) H PHE 87 - HB2 GLU 91 far 0 98 0 - 6.3-7.6 H ALA 15 - HB2 GLU 91 far 0 89 0 - 6.4-42.9 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 2 assignments used, quality = 1.00: * HA GLU 91 + HB2 GLU 91 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 SER 94 - HB2 GLU 91 far 0 99 0 - 6.1-8.1 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 HG3 PRO 56 + HB3 PRO 56 OK 33 33 100 100 2.3-2.3 2.3=100 HG2 PRO 56 + HB3 PRO 56 OK 33 33 100 100 3.0-3.0 2.3=100 HB3 MET 11 - HB2 GLU 91 far 0 97 0 - 5.2-42.3 HB3 GLU 55 - HB3 PRO 56 far 0 53 0 - 6.2-6.7 HG2 ARG 90 - HB2 GLU 91 far 0 97 0 - 6.2-7.1 HG3 PRO 113 - HB3 PRO 56 far 0 29 0 - 6.4-8.6 QE MET 11 - HB2 GLU 91 far 0 99 0 - 6.7-37.5 HG2 PRO 58 - HB3 PRO 56 far 0 55 0 - 9.8-10.1 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 2.3-2.8 3.0=100 HB3 GLU 128 - HB2 GLU 91 far 0 100 0 - 7.8-10.1 HB3 LEU 96 - HB2 GLU 91 far 0 98 0 - 8.9-10.4 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 6 assignments used, quality = 1.00: * HG3 GLU 91 + HB2 GLU 91 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 PRO 56 + HB3 PRO 56 OK 30 30 100 100 1.8-1.8 1.8=100 HB VAL 57 - HB3 PRO 56 far 0 42 0 - 7.5-7.6 HB2 GLU 128 - HB2 GLU 91 far 0 63 0 - 7.6-10.6 HB VAL 112 - HB3 PRO 56 far 0 53 0 - 8.3-9.5 HB3 GLN 61 - HB3 PRO 56 far 0 53 0 - 9.6-10.3 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 2.8-3.8 7252=100, 2875/1.8=74...(22) 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 2 assignments used, quality = 1.00: * HA ALA 88 + HB3 GLU 91 OK 100 100 100 100 3.9-4.2 2749=100, 2860/1.8=97...(15) HA SER 94 - HB3 GLU 91 far 0 60 0 - 8.3-8.6 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 3 assignments used, quality = 1.00: * H GLU 91 + HB3 GLU 91 OK 100 100 100 100 3.5-3.6 4.0=90, 2861/1.8=77...(16) H ALA 15 - HB3 GLU 91 far 0 89 0 - 6.5-43.7 H PHE 87 - HB3 GLU 91 far 0 98 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 2870 from cnoeabs.peaks (3.98, 2.03, 28.84 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 91 + HB3 GLU 91 OK 100 100 100 100 2.3-2.4 3.0=100 HB3 SER 94 - HB3 GLU 91 far 0 99 0 - 5.5-7.6 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 HB3 MET 11 - HB3 GLU 91 far 0 63 0 - 3.8-42.6 HG2 ARG 90 - HB3 GLU 91 far 0 63 0 - 7.6-8.3 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 2.5-3.0 3.0=100 HB3 GLU 128 - HB3 GLU 91 far 0 100 0 - 8.8-10.0 HB3 LEU 96 - HB3 GLU 91 far 0 98 0 - 9.3-10.2 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 2.4-3.0 3.0=100 HB2 GLU 128 - HB3 GLU 91 far 0 63 0 - 8.6-10.5 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 3.8-4.2 7253=99, 7252/1.8=85...(20) Violated in 0 structures by 0.00 A. Peak 2876 from cnoeabs.peaks (8.13, 2.23, 35.02 ppm; 4.00 A increased from 3.76 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 91 + HG2 GLU 91 OK 100 100 100 100 1.9-3.9 7241=100, 7242/1.8=79...(15) H PHE 87 - HG2 GLU 91 far 0 98 0 - 6.3-7.5 H ALA 15 - HG2 GLU 91 far 0 89 0 - 8.3-45.1 H VAL 133 - HG2 GLU 91 far 0 83 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 2877 from cnoeabs.peaks (3.98, 2.23, 35.02 ppm; 4.39 A increased from 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.7-4.2 3.9=100 HB3 SER 94 - HG2 GLU 91 far 0 99 0 - 6.2-9.5 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 4 assignments used, quality = 1.00: * HB2 GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 MET 11 - HG2 GLU 91 far 0 63 0 - 4.4-44.5 HG2 ARG 90 - HG2 GLU 91 far 0 63 0 - 5.4-8.4 HB ILE 129 - HG2 GLU 91 far 0 99 0 - 8.7-11.9 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 5 assignments used, quality = 1.00: * HB3 GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 MET 11 - HG2 GLU 91 far 0 97 0 - 4.4-44.5 HG2 ARG 90 - HG2 GLU 91 far 0 97 0 - 5.4-8.4 QE MET 11 - HG2 GLU 91 far 0 99 0 - 5.4-39.4 HG3 ARG 135 - HG2 GLU 91 far 0 100 0 - 9.3-12.0 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 2 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 - 7.0-10.4 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 2.2-4.3 7254=100, 7255/1.8=81...(19) Violated in 0 structures by 0.00 A. Peak 2883 from cnoeabs.peaks (8.13, 2.11, 35.02 ppm; 3.88 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.5-4.0 7242=100, 7241/1.8=74...(15) H PHE 87 - HG3 GLU 91 far 0 98 0 - 6.1-8.6 H ALA 15 - HG3 GLU 91 far 0 89 0 - 8.9-44.4 H VAL 133 - HG3 GLU 91 far 0 83 0 - 9.3-11.6 Violated in 3 structures by 0.01 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 3.5-3.8 3.9=88, 2.9/7242=55...(14) HB3 SER 94 - HG3 GLU 91 far 0 99 0 - 6.1-8.9 HB2 SER 124 - HG3 GLU 91 far 0 92 0 - 9.6-12.6 Violated in 4 structures by 0.01 A. Peak 2885 from cnoeabs.peaks (1.99, 2.11, 35.02 ppm; 3.45 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 MET 11 - HG3 GLU 91 far 0 63 0 - 5.4-43.8 HG2 ARG 90 - HG3 GLU 91 far 0 63 0 - 6.4-8.2 HB ILE 129 - HG3 GLU 91 far 0 99 0 - 8.1-11.9 Violated in 0 structures by 0.00 A. Peak 2886 from cnoeabs.peaks (2.03, 2.11, 35.02 ppm; 4.35 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 MET 11 - HG3 GLU 91 far 0 97 0 - 5.4-43.8 QE MET 11 - HG3 GLU 91 far 0 99 0 - 5.5-38.8 HG2 ARG 90 - HG3 GLU 91 far 0 97 0 - 6.4-8.2 HG3 ARG 135 - HG3 GLU 91 far 0 100 0 - 9.4-11.8 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 - 6.7-9.7 HB3 LEU 96 - HG3 GLU 91 far 0 98 0 - 8.2-10.9 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 1.9-4.6 7255=100, 7254/1.8=90...(23) Violated in 0 structures by 0.00 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 2.9-2.9 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 4 assignments used, quality = 1.00: * H VAL 93 + HA ALA 92 OK 100 100 100 100 3.5-3.6 3.6=100 H ASN 13 - HA ALA 92 far 0 100 0 - 7.1-42.0 H ALA 12 - HA ALA 92 far 0 97 0 - 7.4-42.0 H MET 11 - HA ALA 92 far 0 78 0 - 7.6-42.5 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 3.5-3.8 7291=61, 7273/3.6=45...(20) 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 5 assignments used, quality = 1.00: HB3 LYS 95 + HA ALA 92 OK 99 100 100 99 4.3-4.8 ~9948=58, ~9948=57...(15) * HB2 LYS 95 + HA ALA 92 OK 99 100 100 99 2.8-3.6 9948/2.1=58, 4.0/2894=53...(14) HB2 MET 11 - HA ALA 92 far 0 93 0 - 5.4-44.0 HB3 ARG 90 - HA ALA 92 far 0 93 0 - 7.3-7.5 HB2 ARG 90 - HA ALA 92 far 0 73 0 - 7.4-7.9 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 5 assignments used, quality = 1.00: * HB3 LYS 95 + HA ALA 92 OK 99 100 100 99 4.3-4.8 ~9948=58, ~9948=57...(15) HB2 LYS 95 + HA ALA 92 OK 99 100 100 99 2.8-3.6 9948/2.1=63, 4.0/2894=53...(15) HB2 MET 11 - HA ALA 92 far 0 89 0 - 5.4-44.0 HB3 ARG 90 - HA ALA 92 far 0 97 0 - 7.3-7.5 HB2 ARG 90 - HA ALA 92 far 0 65 0 - 7.4-7.9 Violated in 0 structures by 0.00 A. Peak 2897 from cnoeabs.peaks (4.08, 1.43, 18.02 ppm; 3.93 A increased from 3.70 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 89 + QB ALA 92 OK 100 100 100 100 3.2-3.9 2764=80, 7247/7257=56...(16) HB2 SER 74 - QB ALA 92 far 0 87 0 - 9.4-10.9 HB3 SER 74 - QB ALA 92 far 0 89 0 - 9.9-11.2 Violated in 1 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 2.1-2.3 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 - 5.9-6.5 HA LYS 95 - QB ALA 92 far 0 63 0 - 6.3-6.6 HA LEU 122 - QB ALA 92 far 0 100 0 - 6.4-7.5 HB3 SER 124 - QB ALA 92 far 0 87 0 - 7.1-8.3 HB2 SER 74 - QB ALA 92 far 0 83 0 - 9.4-10.9 HA ARG 135 - QB ALA 92 far 0 57 0 - 9.8-11.4 HB3 SER 74 - QB ALA 92 far 0 81 0 - 9.9-11.2 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 5 assignments used, quality = 1.00: * H VAL 93 + QB ALA 92 OK 100 100 100 100 2.4-2.9 3.7=100 H MET 11 - QB ALA 92 far 0 78 0 - 6.2-36.1 H ASN 13 - QB ALA 92 far 0 100 0 - 6.9-35.4 H ALA 12 - QB ALA 92 far 0 97 0 - 7.1-35.6 H SER 74 - QB ALA 92 far 0 63 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 2902 from cnoeabs.peaks (8.43, 3.25, 66.81 ppm; 5.68 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 93 + HA VAL 93 OK 100 100 100 100 2.7-2.8 2.9=100 H SER 74 - HA VAL 93 far 0 63 0 - 6.9-7.5 H MET 11 - HA VAL 93 far 0 78 0 - 10.0-39.7 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): 1 out of 2 assignments used, quality = 1.00: * HB VAL 93 + HA VAL 93 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LEU 100 - HA VAL 93 far 0 99 0 - 8.3-8.8 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 2.1-2.3 3.2=100 QD1 ILE 80 - HA VAL 93 far 0 83 0 - 7.7-8.2 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 5 assignments used, quality = 1.00: * QG1 VAL 93 + HA VAL 93 OK 100 100 100 100 2.5-2.6 3.2=100 QD2 LEU 96 + HA VAL 93 OK 100 100 100 100 1.8-2.6 11806=76, 2922/2919=39...(35) HG12 ILE 129 + HA VAL 93 OK 40 100 40 100 3.8-5.0 2.1/10461=75...(29) QD1 LEU 96 + HA VAL 93 OK 27 78 35 100 4.1-4.9 2.1/11806=62...(29) QD2 LEU 43 - HA VAL 93 far 0 100 0 - 9.2-10.2 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 3.6-3.6 3.6=100 H ILE 129 + HA VAL 93 OK 96 97 100 100 5.6-6.0 7873/10461=93...(10) 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 6 assignments used, quality = 1.00: * H LEU 96 + HA VAL 93 OK 100 100 100 100 3.0-3.1 7311=100, 11432/3.2=84...(27) H VAL 126 + HA VAL 93 OK 84 90 100 93 5.8-6.3 10400/10461=55...(11) H SER 99 - HA VAL 93 far 0 89 0 - 7.6-8.1 H LEU 69 - HA VAL 93 far 0 73 0 - 8.6-9.3 H ASP 131 - HA VAL 93 far 0 100 0 - 9.5-10.0 H LEU 123 - HA VAL 93 far 0 92 0 - 9.5-10.2 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 8 assignments used, quality = 1.00: * HB2 LEU 96 + HA VAL 93 OK 100 100 100 100 3.7-4.2 3.2/11806=74...(33) HG LEU 96 + HA VAL 93 OK 89 89 100 100 3.6-4.3 2.1/11806=87...(27) HG3 LYS 95 - HA VAL 93 far 5 100 5 - 4.9-7.7 HG2 LYS 95 - HA VAL 93 far 5 99 5 - 5.1-7.9 QB ALA 15 - HA VAL 93 far 0 100 0 - 7.2-35.7 QB ALA 12 - HA VAL 93 far 0 81 0 - 8.7-30.6 QB ALA 16 - HA VAL 93 far 0 73 0 - 9.6-38.6 HB3 LEU 100 - HA VAL 93 far 0 100 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 2910 from cnoeabs.peaks (2.23, 3.25, 66.81 ppm; 6.12 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 96 + HA VAL 93 OK 100 100 100 100 2.1-2.5 10492/10461=94...(33) HB3 GLU 97 - HA VAL 93 far 12 83 15 - 6.4-7.3 HG2 GLU 91 - HA VAL 93 far 0 98 0 - 7.2-8.7 HB3 GLU 128 - HA VAL 93 far 0 97 0 - 7.9-8.9 HB3 GLN 127 - HA VAL 93 far 0 97 0 - 9.6-10.4 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 1.8-2.2 2793=100, 9953/2.1=92...(12) HA VAL 133 + HB3 ARG 135 OK 21 35 70 84 4.2-6.1 10625/7982=55...(6) HB2 SER 9 - HB VAL 93 far 0 97 0 - 8.1-43.3 HB3 SER 9 - HB VAL 93 far 0 97 0 - 8.3-42.4 HA SER 130 - HB3 ARG 135 far 0 58 0 - 8.6-9.9 HB2 SER 130 - HB3 ARG 135 far 0 33 0 - 9.7-11.8 HA SER 130 - HB VAL 93 far 0 96 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 2912 from cnoeabs.peaks (8.43, 1.83, 31.34 ppm; 4.04 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 93 + HB VAL 93 OK 100 100 100 100 2.3-2.5 4.0=100 H SER 74 - HB VAL 93 far 0 63 0 - 5.8-6.3 H MET 11 - HB VAL 93 far 0 78 0 - 7.6-38.0 H ASN 13 - HB3 ARG 135 far 0 64 0 - 9.5-47.5 H ASN 13 - HB VAL 93 far 0 100 0 - 9.6-37.0 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 3.0-3.0 3.0=100 HD3 ARG 135 + HB3 ARG 135 OK 51 51 100 100 2.2-4.2 3.7=100 HB2 HIS 5 - HB3 ARG 135 far 0 48 0 - 8.0-67.3 HB3 PHE 87 - HB VAL 93 far 0 89 0 - 9.6-10.1 HB2 PHE 87 - HB3 ARG 135 far 0 45 0 - 9.7-12.5 HB3 HIS 4 - HB3 ARG 135 far 0 48 0 - 9.7-72.1 HB3 HIS 10 - HB VAL 93 far 0 100 0 - 9.9-38.3 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 0 47 0 - 6.0-7.3 QD1 ILE 80 - HB VAL 93 far 0 83 0 - 6.2-6.6 Violated in 0 structures by 0.00 A. Peak 2916 from cnoeabs.peaks (0.75, 1.83, 31.34 ppm; 3.85 A): 2 out of 6 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 45 100 45 100 3.8-4.8 11806/3.0=50...(33) HG12 ILE 129 - HB VAL 93 far 0 100 0 - 5.2-6.9 QD1 LEU 96 - HB VAL 93 far 0 78 0 - 6.3-7.1 QD2 LEU 43 - HB3 ARG 135 far 0 63 0 - 7.1-8.7 QD2 LEU 43 - HB VAL 93 far 0 100 0 - 9.7-10.7 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 2.4-2.6 7281=100, 7283/2.1=93...(22) H ILE 129 - HB VAL 93 far 0 97 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 2918 from cnoeabs.peaks (8.43, 0.29, 23.10 ppm; 3.45 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.2-2.6 7270=100, 7269/2.1=63...(16) H SER 74 - QG2 VAL 93 far 0 63 0 - 4.2-4.6 H MET 11 - QG2 VAL 93 far 0 78 0 - 8.3-32.7 H ASP 47 - QG2 VAL 93 far 0 76 0 - 9.3-9.7 H ASN 13 - QG2 VAL 93 far 0 100 0 - 9.4-31.6 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 5 assignments used, quality = 1.00: * HA VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.1-2.3 3.2=100 HB3 HIS 10 - QG2 VAL 93 far 0 100 0 - 8.5-33.3 HB3 PHE 87 - QG2 VAL 93 far 0 89 0 - 8.9-9.4 HB2 PHE 87 - QG2 VAL 93 far 0 81 0 - 9.3-9.7 HD3 ARG 135 - QG2 VAL 93 far 0 89 0 - 9.4-11.5 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 5 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 - 8.4-8.9 HB3 LYS 19 - QG2 VAL 93 far 0 90 0 - 9.5-32.5 HB3 LYS 24 - QG2 VAL 93 far 0 93 0 - 9.8-23.2 HB2 CYS 79 - QG2 VAL 93 far 0 97 0 - 9.9-10.4 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): 3 out of 6 assignments used, quality = 1.00: * QG1 VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 96 + QG2 VAL 93 OK 99 100 100 99 2.3-2.8 11806/3.2=25, ~9974=21...(45) HG12 ILE 129 + QG2 VAL 93 OK 24 100 25 96 3.2-4.1 2.1/9967=53...(23) QD1 LEU 96 - QG2 VAL 93 far 0 78 0 - 4.1-5.1 QD2 LEU 43 - QG2 VAL 93 far 0 100 0 - 6.5-7.4 QD1 ILE 37 - QG2 VAL 93 far 0 60 0 - 7.7-8.5 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 3 assignments used, quality = 1.00: * H SER 94 + QG2 VAL 93 OK 100 100 100 100 3.9-4.0 7282=100, 7283/2.1=87...(26) H ILE 129 + QG2 VAL 93 OK 67 97 70 99 4.5-5.0 7873/10487=60...(13) H SER 38 - QG2 VAL 93 far 0 97 0 - 10.0-10.8 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 5 assignments used, quality = 1.00: * H VAL 93 + QG1 VAL 93 OK 100 100 100 100 3.7-3.8 3.9=88, 2918/2.1=83...(12) H SER 74 + QG1 VAL 93 OK 61 63 100 97 3.3-3.8 2.9/9590=47...(16) H MET 11 - QG1 VAL 93 far 0 78 0 - 7.1-30.5 H ALA 12 - QG1 VAL 93 far 0 97 0 - 9.1-30.0 H ASN 13 - QG1 VAL 93 far 0 100 0 - 9.5-29.7 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 2.5-2.6 3.2=100 HB3 HIS 10 - QG1 VAL 93 far 0 100 0 - 9.5-31.2 HB3 PHE 87 - QG1 VAL 93 far 0 89 0 - 9.8-10.3 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 4 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 - 6.9-7.4 HB3 LYS 24 - QG1 VAL 93 far 0 93 0 - 7.8-22.9 HB3 LYS 19 - QG1 VAL 93 far 0 90 0 - 8.7-31.7 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 2.1-2.1 2.1=100 QD1 ILE 80 - QG1 VAL 93 far 0 83 0 - 6.0-6.3 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 3 assignments used, quality = 1.00: * H SER 94 + QG1 VAL 93 OK 100 100 100 100 2.6-2.9 7283=100, 7281/2.1=81...(18) H ILE 129 - QG1 VAL 93 far 0 97 0 - 6.8-7.2 H THR 18 - QG1 VAL 93 far 0 85 0 - 9.7-32.4 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 2.7-2.8 2.9=100 H ILE 129 - HA SER 124 far 0 90 0 - 6.6-7.2 H SER 51 - HA SER 124 far 0 93 0 - 9.3-10.7 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 5 assignments used, quality = 1.00: * HB2 SER 94 + HA SER 94 OK 100 100 100 100 2.4-2.9 3.0=100 HB3 SER 50 - HA SER 124 far 0 86 0 - 5.7-8.5 HA LEU 70 - HA SER 94 far 0 81 0 - 6.6-7.3 HA3 GLY 14 - HA SER 94 far 0 89 0 - 9.2-38.9 HA ALA 46 - HA SER 124 far 0 93 0 - 9.8-10.6 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 7 assignments used, quality = 1.00: * HB3 SER 94 + HA SER 94 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 SER 124 + HA SER 124 OK 68 68 100 100 2.6-3.0 3.0=100 HA GLN 127 - HA SER 124 far 0 95 0 - 5.7-6.0 HA SER 50 - HA SER 124 far 0 66 0 - 6.1-7.2 HA GLU 91 - HA SER 94 far 0 99 0 - 6.1-6.4 HA2 GLY 17 - HA SER 94 far 0 97 0 - 7.9-40.0 HA3 GLY 17 - HA SER 94 far 0 97 0 - 8.7-38.8 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 3.5-3.5 3.6=100 H GLN 101 - HA SER 94 far 0 65 0 - 8.5-9.3 H LEU 53 - HA SER 124 far 0 92 0 - 9.2-10.2 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 6 assignments used, quality = 1.00: * H GLU 97 + HA SER 94 OK 100 100 100 100 3.6-3.8 7334=100, 3133/11457=67...(17) H HIS 5 - HA SER 124 far 0 53 0 - 6.5-62.2 H SER 9 - HA SER 94 far 0 96 0 - 7.0-41.5 H LEU 100 - HA SER 94 far 0 95 0 - 7.8-8.4 H SER 9 - HA SER 124 far 0 89 0 - 8.9-54.4 H HIS 4 - HA SER 124 far 0 71 0 - 9.5-65.7 Violated in 0 structures by 0.00 A. Peak 2936 from cnoeabs.peaks (2.14, 4.23, 61.64 ppm; 4.69 A increased from 4.17 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 97 + HA SER 94 OK 100 100 100 100 3.9-4.6 3117=100, 2.9/11457=80...(11) HG3 GLU 91 - HA SER 94 far 0 60 0 - 8.4-9.8 HB3 LEU 69 - HA SER 94 far 0 65 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 2937 from cnoeabs.peaks (2.21, 4.23, 61.64 ppm; 4.11 A): 2 out of 7 assignments used, quality = 0.98: HB3 GLN 127 + HA SER 124 OK 91 91 100 100 2.9-4.0 4049=92, 1.8/3966=53...(12) * HB3 GLU 97 + HA SER 94 OK 74 100 75 99 4.5-4.9 2.9/11457=65...(10) HB3 GLU 128 - HA SER 124 far 0 92 0 - 5.1-6.1 HB3 LEU 96 - HA SER 94 far 0 83 0 - 5.5-5.7 HB3 LEU 96 - HA SER 124 far 0 75 0 - 8.3-9.4 HG2 GLU 91 - HA SER 94 far 0 97 0 - 8.4-10.0 HB2 GLN 101 - HA SER 94 far 0 97 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 2938 from cnoeabs.peaks (3.98, 3.90, 62.72 ppm; 4.35 A): 4 out of 8 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 61 100 100 61 3.5-4.5 2858=43, 2857/3.6=30 HA SER 50 + HB3 SER 50 OK 60 60 100 100 2.2-3.0 3.0=100 HA GLN 127 + HB3 SER 50 OK 58 67 95 92 3.4-5.2 4037/1.8=61, 2858=40...(11) HB3 SER 51 - HB3 SER 50 poor 18 73 55 44 4.2-7.2 3.8/6636=27, ~1623=10...(4) HA2 GLY 17 - HB2 SER 94 far 0 85 0 - 6.7-39.9 HA3 GLY 17 - HB2 SER 94 far 0 85 0 - 7.1-38.7 HB2 SER 124 - HB3 SER 50 far 0 62 0 - 8.4-11.0 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 2.1-2.6 3.6=100 H SER 51 + HB3 SER 50 OK 61 70 95 92 2.9-4.3 1601/1.8=54, 4.7=49...(15) H ILE 129 - HB3 SER 50 far 0 67 0 - 7.7-9.6 H THR 18 - HB2 SER 94 far 0 85 0 - 9.6-39.7 Violated in 0 structures by 0.00 A. Peak 2940 from cnoeabs.peaks (4.23, 3.90, 62.72 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 94 + HB2 SER 94 OK 100 100 100 100 2.4-2.9 3.0=100 HA SER 51 - HB3 SER 50 far 3 60 5 - 3.9-5.5 HA SER 124 - HB3 SER 50 far 0 70 0 - 5.7-8.5 HA ALA 88 - HB2 SER 94 far 0 60 0 - 8.2-9.3 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): 2 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 36 46 100 77 2.2-3.0 3.0=69, 11874/11339=18 HA GLN 127 - HB3 SER 50 far 0 73 0 - 3.4-5.2 HA GLU 91 - HB2 SER 94 far 0 99 0 - 3.5-4.5 HB3 SER 51 - HB3 SER 50 far 0 69 0 - 4.2-7.2 HB2 SER 51 - HB3 SER 50 far 0 35 0 - 4.8-6.8 HA2 GLY 17 - HB2 SER 94 far 0 97 0 - 6.7-39.9 HA3 GLY 17 - HB2 SER 94 far 0 97 0 - 7.1-38.7 HB2 SER 124 - HB3 SER 50 far 0 48 0 - 8.4-11.0 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 3 assignments used, quality = 1.00: * H LYS 95 + HB2 SER 94 OK 100 100 100 100 3.2-4.1 4.4=100 H LEU 53 + HB3 SER 50 OK 69 69 100 100 5.6-6.0 6657/3.0=96, 6658/4.7=84...(9) H CYS 45 - HB3 SER 50 far 0 57 0 - 9.1-11.2 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 4 assignments used, quality = 1.00: * H SER 94 + HB3 SER 94 OK 100 100 100 100 2.5-3.6 3.6=100 H SER 51 + HB3 SER 51 OK 90 90 100 100 2.3-3.6 3.8=100 H THR 18 - HA VAL 20 far 0 30 0 - 6.2-7.8 H VAL 57 - HB3 SER 51 far 0 81 0 - 9.7-12.1 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 7 assignments used, quality = 1.00: * HA SER 94 + HB3 SER 94 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 51 + HB3 SER 51 OK 80 80 100 100 2.4-2.7 2.9=100 HA GLN 27 - HA VAL 20 far 0 37 0 - 7.5-15.9 HA ALA 88 - HB3 SER 94 far 0 60 0 - 8.2-10.5 HA GLU 30 - HA VAL 20 far 0 39 0 - 9.0-22.5 HA SER 99 - HB3 SER 94 far 0 92 0 - 9.5-10.9 HA ALA 28 - HA VAL 20 far 0 40 0 - 9.9-18.7 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 11 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 0 83 0 - 4.2-7.2 HA3 GLY 2 - HB3 SER 51 far 0 89 0 - 6.3-73.2 HA2 GLY 2 - HB3 SER 51 far 0 89 0 - 6.6-73.3 HB2 SER 33 - HA VAL 20 far 0 38 0 - 7.1-21.9 HA3 GLY 14 - HB3 SER 94 far 0 89 0 - 7.6-40.4 HA2 GLY 14 - HB3 SER 94 far 0 90 0 - 7.9-39.4 HA ALA 46 - HB3 SER 51 far 0 91 0 - 8.0-9.8 HA LEU 70 - HB3 SER 94 far 0 81 0 - 9.0-9.9 HA3 GLY 14 - HA VAL 20 far 0 32 0 - 9.5-18.6 HA LYS 86 - HA VAL 20 far 0 33 0 - 9.8-33.2 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): 1 out of 3 assignments used, quality = 1.00: * H LYS 95 + HB3 SER 94 OK 100 100 100 100 2.8-4.1 4.4=100 H LEU 53 - HB3 SER 51 far 4 89 5 - 5.0-5.7 H CYS 45 - HB3 SER 51 far 0 76 0 - 9.5-11.2 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 - 8.0-8.3 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 2.9-3.0 3.0=100 HB3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 ARG 90 - HA LYS 95 far 0 93 0 - 8.4-9.5 HB2 ARG 90 - HA LYS 95 far 0 73 0 - 9.5-10.7 HB2 MET 11 - HA LYS 95 far 0 93 0 - 10.0-41.1 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 2.3-2.8 3.0=100 HB2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 ARG 90 - HA LYS 95 far 0 97 0 - 8.4-9.5 HB2 ARG 90 - HA LYS 95 far 0 65 0 - 9.5-10.7 HB2 MET 11 - HA LYS 95 far 0 89 0 - 10.0-41.1 Violated in 0 structures by 0.00 A. Peak 2954 from cnoeabs.peaks (1.39, 4.02, 59.62 ppm; 4.49 A): 2 out of 8 assignments used, quality = 1.00: * HG2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.8-4.0 3.9=100 HG3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.1-3.3 3.9=100 HG LEU 96 - HA LYS 95 far 0 97 0 - 6.2-6.6 HB2 LEU 96 - HA LYS 95 far 0 99 0 - 6.2-6.4 QB ALA 15 - HA LYS 95 far 0 100 0 - 7.1-37.3 QB ALA 12 - HA LYS 95 far 0 63 0 - 7.6-31.1 HB3 LEU 100 - HA LYS 95 far 0 99 0 - 9.4-9.9 QB ALA 16 - HA LYS 95 far 0 89 0 - 9.9-40.4 Violated in 0 structures by 0.00 A. Peak 2955 from cnoeabs.peaks (1.39, 4.02, 59.62 ppm; 4.49 A): 2 out of 8 assignments used, quality = 1.00: * HG3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.1-3.3 3.9=100 HG2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.8-4.0 3.9=100 HG LEU 96 - HA LYS 95 far 0 96 0 - 6.2-6.6 HB2 LEU 96 - HA LYS 95 far 0 100 0 - 6.2-6.4 QB ALA 15 - HA LYS 95 far 0 100 0 - 7.1-37.3 QB ALA 12 - HA LYS 95 far 0 68 0 - 7.6-31.1 HB3 LEU 100 - HA LYS 95 far 0 99 0 - 9.4-9.9 QB ALA 16 - HA LYS 95 far 0 85 0 - 9.9-40.4 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 3 assignments used, quality = 1.00: HB2 LEU 98 + HA LYS 95 OK 100 100 100 100 2.5-3.1 3158=100, 3.1/11470=77...(15) * HD2 LYS 95 + HA LYS 95 OK 99 100 100 99 2.7-4.9 5.0=66, 7303/2.9=30...(24) HD3 LYS 95 + HA LYS 95 OK 99 100 100 99 3.1-4.7 5.0=66, 7303/2.9=30...(25) 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 3 assignments used, quality = 1.00: * HD3 LYS 95 + HA LYS 95 OK 99 100 100 99 3.1-4.7 5.0=65, 7304/2.9=30...(25) HB2 LEU 98 + HA LYS 95 OK 99 99 100 100 2.5-3.1 3158=99, 3.1/11470=77...(15) HD2 LYS 95 + HA LYS 95 OK 99 100 100 99 2.7-4.9 5.0=65, 7304/2.9=30...(24) 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: * HE2 LYS 95 + HA LYS 95 OK 100 100 100 100 4.6-5.4 6.4=100 HE3 LYS 95 + HA LYS 95 OK 100 100 100 100 5.1-6.1 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: HE2 LYS 95 + HA LYS 95 OK 100 100 100 100 4.6-5.4 6.4=100 * HE3 LYS 95 + HA LYS 95 OK 100 100 100 100 5.1-6.1 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 4 assignments used, quality = 1.00: * H LEU 96 + HA LYS 95 OK 100 100 100 100 3.5-3.5 3.6=100 H SER 99 + HA LYS 95 OK 87 89 100 98 3.9-4.6 4.6/3158=50, 3.8/2961=44...(15) H VAL 126 - HA LYS 95 far 0 90 0 - 8.5-8.9 H LEU 123 - HA LYS 95 far 0 92 0 - 9.7-10.6 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 1 assignment used, quality = 1.00: * H LEU 98 + HA LYS 95 OK 100 100 100 100 3.3-3.6 3192/11470=80...(13) 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 3 assignments used, quality = 1.00: * HB2 LEU 98 + HA LYS 95 OK 100 100 100 100 2.5-3.1 3158=100, 3.1/11470=77...(15) HD2 LYS 95 + HA LYS 95 OK 99 100 100 99 2.7-4.9 5.0=65, 7303/2.9=30...(24) HD3 LYS 95 + HA LYS 95 OK 98 99 100 99 3.1-4.7 5.0=65, 7303/2.9=30...(25) Violated in 0 structures by 0.00 A. Peak 2963 from cnoeabs.peaks (1.78, 4.02, 59.62 ppm; 4.49 A increased from 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 98 + HA LYS 95 OK 100 100 100 100 4.1-4.6 1.8/3158=92...(23) HB3 LEU 122 - HA LYS 95 far 0 98 0 - 7.3-10.2 HG LEU 100 - HA LYS 95 far 0 99 0 - 8.0-9.0 Violated in 2 structures by 0.01 A. Peak 2964 from cnoeabs.peaks (4.05, 1.94, 32.34 ppm; 5.42 A): 8 out of 13 assignments used, quality = 1.00: * HA ALA 92 + HB2 LYS 95 OK 100 100 100 100 2.8-3.6 2894/4.0=71, 2.1/9948=59...(16) HA ALA 92 + HB3 LYS 95 OK 100 100 100 100 4.3-4.8 ~9948=76, ~9948=75...(16) HA LEU 96 + HB2 LYS 95 OK 97 99 100 98 3.9-4.9 2.9/7316=43, ~7317=33...(28) HA LEU 96 + HB3 LYS 95 OK 97 99 100 98 4.0-5.0 2.9/7316=43, ~7316=33...(31) HD3 PRO 81 + HB3 PRO 81 OK 72 72 100 100 3.9-3.9 3.0=100 HA LYS 95 + HB2 LYS 95 OK 63 63 100 100 2.9-3.0 3.0=100 HA LYS 95 + HB3 LYS 95 OK 62 62 100 100 2.3-2.8 3.0=100 HA LEU 122 + HB3 LYS 95 OK 32 100 60 53 5.1-7.0 3994/11658=17...(10) HA LEU 122 - HB2 LYS 95 poor 20 100 20 - 5.8-7.2 HD3 PRO 81 - HB3 LYS 86 far 0 31 0 - 7.6-9.3 HB3 SER 124 - HB3 LYS 95 far 0 86 0 - 7.7-8.8 HA ARG 135 - HB3 PRO 81 far 0 38 0 - 7.8-10.9 HB3 SER 124 - HB2 LYS 95 far 0 87 0 - 8.0-9.4 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 2.1-2.9 4.0=100 H LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.4-3.6 4.0=100 H GLN 101 - HB3 LYS 95 far 0 64 0 - 9.3-10.0 H GLN 101 - HB2 LYS 95 far 0 65 0 - 10.0-10.5 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 17 assignments used, quality = 1.00: * HA LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.9-3.0 3.0=100 HA LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-2.8 3.0=100 HA LEU 96 + HB2 LYS 95 OK 74 78 100 94 3.9-4.9 2.9/7316=37, ~7317=26...(27) HA LEU 96 + HB3 LYS 95 OK 73 77 100 95 4.0-5.0 2.9/7316=37, ~7316=26...(29) HA SER 60 + HB2 PRO 58 OK 71 72 100 99 5.0-5.1 ~10975=52, ~10978=47...(14) HA ALA 92 + HB3 LYS 95 OK 61 62 100 99 4.3-4.8 ~9948=63, ~9948=62...(15) HD3 PRO 81 + HB3 PRO 81 OK 61 61 100 100 3.9-3.9 3.0=100 HA ALA 92 + HB2 LYS 95 OK 60 63 100 96 2.8-3.6 2.1/9948=53, 2894/4.0=29...(14) HB3 SER 99 - HB3 LYS 95 far 0 92 0 - 5.5-7.5 HB2 SER 124 - HB3 LYS 95 far 0 72 0 - 6.2-7.4 HB2 SER 124 - HB2 LYS 95 far 0 73 0 - 6.5-7.8 HB3 SER 99 - HB2 LYS 95 far 0 93 0 - 7.1-8.6 HD3 PRO 81 - HB3 LYS 86 far 0 26 0 - 7.6-9.3 HB3 SER 124 - HB3 LYS 95 far 0 97 0 - 7.7-8.8 HA ARG 135 - HB3 PRO 81 far 0 77 0 - 7.8-10.9 HB3 SER 124 - HB2 LYS 95 far 0 97 0 - 8.0-9.4 HA VAL 20 - HB3 PRO 81 far 0 40 0 - 9.3-33.9 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): 8 out of 21 assignments used, quality = 1.00: * HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-2.8 3.0=100 HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.6-3.0 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 90 99 100 91 4.9-5.7 3.8/7316=35...(26) HB2 LEU 96 + HB3 LYS 95 OK 62 98 70 90 5.2-6.4 3.8/7316=35, 3.0/2964=17...(27) QB ALA 110 + HB2 PRO 58 OK 51 76 95 71 4.1-6.0 10930/1.8=46...(4) QB ALA 109 + HB2 PRO 58 OK 24 77 40 78 5.2-6.9 9349/4.3=45...(6) QB ALA 15 - HB3 PRO 81 far 4 76 5 - 4.1-36.3 HG LEU 96 - HB2 LYS 95 far 0 97 0 - 6.3-6.8 HG LEU 96 - HB3 LYS 95 far 0 97 0 - 6.6-7.6 QB ALA 15 - HB3 LYS 86 far 0 33 0 - 7.2-34.4 QB ALA 12 - HB2 LYS 95 far 0 63 0 - 7.3-32.4 QB ALA 108 - HB2 PRO 58 far 0 77 0 - 7.7-9.7 QB ALA 15 - HB2 LYS 95 far 0 100 0 - 8.4-38.2 QB ALA 12 - HB3 LYS 95 far 0 62 0 - 8.5-33.1 QB ALA 15 - HB3 LYS 95 far 0 99 0 - 8.5-39.0 QB ALA 16 - HB3 PRO 81 far 0 63 0 - 9.0-37.6 HG2 LYS 19 - HB3 PRO 81 far 0 52 0 - 9.4-37.9 QB ALA 16 - HB3 LYS 86 far 0 26 0 - 9.9-36.1 HG2 LYS 19 - HB3 LYS 86 far 0 21 0 - 9.9-37.0 Violated in 0 structures by 0.00 A. Peak 2970 from cnoeabs.peaks (1.39, 1.94, 32.34 ppm; 5.15 A): 8 out of 21 assignments used, quality = 1.00: * HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-2.8 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 91 100 100 91 4.9-5.7 3.8/7316=35...(26) HB2 LEU 96 + HB3 LYS 95 OK 63 99 70 90 5.2-6.4 3.8/7316=35, 3.0/2964=17...(27) QB ALA 110 + HB2 PRO 58 OK 52 77 95 71 4.1-6.0 10930/1.8=46...(4) QB ALA 109 + HB2 PRO 58 OK 21 77 35 78 5.2-6.9 9349/4.3=45...(6) QB ALA 15 - HB3 PRO 81 far 4 77 5 - 4.1-36.3 HG LEU 96 - HB2 LYS 95 far 0 96 0 - 6.3-6.8 HG LEU 96 - HB3 LYS 95 far 0 95 0 - 6.6-7.6 QB ALA 15 - HB3 LYS 86 far 0 34 0 - 7.2-34.4 QB ALA 12 - HB2 LYS 95 far 0 68 0 - 7.3-32.4 QB ALA 108 - HB2 PRO 58 far 0 77 0 - 7.7-9.7 QB ALA 15 - HB2 LYS 95 far 0 100 0 - 8.4-38.2 QB ALA 12 - HB3 LYS 95 far 0 67 0 - 8.5-33.1 QB ALA 15 - HB3 LYS 95 far 0 100 0 - 8.5-39.0 QB ALA 16 - HB3 PRO 81 far 0 59 0 - 9.0-37.6 HG2 LYS 19 - HB3 PRO 81 far 0 56 0 - 9.4-37.9 QB ALA 16 - HB3 LYS 86 far 0 25 0 - 9.9-36.1 HG2 LYS 19 - HB3 LYS 86 far 0 23 0 - 9.9-37.0 Violated in 0 structures by 0.00 A. Peak 2971 from cnoeabs.peaks (1.65, 1.94, 32.34 ppm; 5.06 A): 8 out of 26 assignments used, quality = 1.00: * HD2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-3.5 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-4.0 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 100 100 100 100 4.3-5.6 3158/3.0=87, ~2963=56...(23) HD3 LYS 95 + HB3 LYS 95 OK 99 99 100 100 2.4-4.2 3.7=100 HB2 LEU 98 + HB2 LYS 95 OK 90 100 90 100 5.2-6.1 3158/3.0=87, ~2963=56...(23) HD3 LYS 86 + HB3 LYS 86 OK 33 33 100 100 2.4-2.9 3.5=100 HD2 LYS 86 + HB3 LYS 86 OK 33 33 100 100 3.6-3.9 3.5=100 HG2 ARG 84 - HB3 LYS 86 far 0 26 0 - 6.0-7.3 QB ALA 88 - HB3 LYS 86 far 0 33 0 - 6.0-6.6 HG LEU 62 - HB2 PRO 58 far 0 75 0 - 6.3-6.6 HG3 ARG 84 - HB3 LYS 86 far 0 26 0 - 6.8-8.6 HG2 ARG 84 - HB3 PRO 81 far 0 63 0 - 6.8-10.8 HD2 LYS 39 - HB3 PRO 81 far 0 50 0 - 7.6-10.6 HG3 ARG 84 - HB3 PRO 81 far 0 63 0 - 7.7-10.6 HD3 LYS 19 - HB3 LYS 86 far 0 33 0 - 7.9-39.2 QB ALA 88 - HB2 LYS 95 far 0 99 0 - 8.1-9.5 HD2 LYS 19 - HB3 LYS 86 far 0 33 0 - 8.7-39.0 HD2 LYS 86 - HB3 PRO 81 far 0 76 0 - 9.2-11.5 QB ALA 88 - HB3 LYS 95 far 0 98 0 - 9.3-10.7 HD3 LYS 86 - HB3 PRO 81 far 0 76 0 - 9.4-10.8 HD3 LYS 19 - HB3 PRO 81 far 0 76 0 - 9.5-40.2 QB ALA 88 - HB3 PRO 81 far 0 75 0 - 9.5-11.5 HB2 LEU 123 - HB3 LYS 95 far 0 99 0 - 9.5-10.8 HB2 LEU 69 - HB2 LYS 95 far 0 92 0 - 9.6-10.2 HB2 LEU 123 - HB2 LYS 95 far 0 100 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 2972 from cnoeabs.peaks (1.66, 1.94, 32.34 ppm; 5.06 A): 8 out of 26 assignments used, quality = 1.00: * HD3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-4.0 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.4-4.2 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-3.5 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 99 99 100 100 2.1-4.2 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 98 98 100 100 4.3-5.6 3158/3.0=86, ~2963=56...(23) HB2 LEU 98 + HB2 LYS 95 OK 89 99 90 100 5.2-6.1 3158/3.0=86, ~2963=56...(23) HD3 LYS 86 + HB3 LYS 86 OK 34 34 100 100 2.4-2.9 3.5=100 HD2 LYS 86 + HB3 LYS 86 OK 34 34 100 100 3.6-3.9 3.5=100 HG2 ARG 84 - HB3 LYS 86 far 0 22 0 - 6.0-7.3 QB ALA 88 - HB3 LYS 86 far 0 34 0 - 6.0-6.6 HG LEU 62 - HB2 PRO 58 far 0 71 0 - 6.3-6.6 HG3 ARG 84 - HB3 LYS 86 far 0 22 0 - 6.8-8.6 HG2 ARG 84 - HB3 PRO 81 far 0 54 0 - 6.8-10.8 HD2 LYS 39 - HB3 PRO 81 far 0 59 0 - 7.6-10.6 HG3 ARG 84 - HB3 PRO 81 far 0 54 0 - 7.7-10.6 HD3 LYS 19 - HB3 LYS 86 far 0 31 0 - 7.9-39.2 QB ALA 88 - HB2 LYS 95 far 0 100 0 - 8.1-9.5 HD2 LYS 19 - HB3 LYS 86 far 0 31 0 - 8.7-39.0 HD2 LYS 86 - HB3 PRO 81 far 0 78 0 - 9.2-11.5 QB ALA 88 - HB3 LYS 95 far 0 100 0 - 9.3-10.7 HD3 LYS 86 - HB3 PRO 81 far 0 78 0 - 9.4-10.8 HD3 LYS 19 - HB3 PRO 81 far 0 72 0 - 9.5-40.2 QB ALA 88 - HB3 PRO 81 far 0 77 0 - 9.5-11.5 HB2 LEU 123 - HB3 LYS 95 far 0 97 0 - 9.5-10.8 HB2 LEU 69 - HB2 LYS 95 far 0 97 0 - 9.6-10.2 HB2 LEU 123 - HB2 LYS 95 far 0 98 0 - 9.9-11.5 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 2.0-5.4 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 3.2-4.6 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.9-4.5 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 4.1-5.3 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 75 76 100 99 4.6-5.4 6718/4.3=97, 4.5/9332=48...(5) HB2 ASN 116 - HB2 PRO 58 far 0 39 0 - 9.6-11.0 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 2.0-5.4 5.3=100 * HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 3.2-4.6 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.9-4.5 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 4.1-5.3 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 75 76 100 99 4.6-5.4 6718/4.3=97, 4.5/9332=48...(5) HB2 ASN 116 - HB2 PRO 58 far 0 39 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 2975 from cnoeabs.peaks (8.27, 1.94, 32.34 ppm; 6.04 A): 5 out of 10 assignments used, quality = 1.00: * H LEU 96 + HB2 LYS 95 OK 100 100 100 100 2.8-3.1 4.6=100 H LEU 96 + HB3 LYS 95 OK 100 100 100 100 3.3-4.1 4.6=100 H SER 99 + HB3 LYS 95 OK 70 88 100 80 4.8-5.6 2960/3.0=44, ~11439=18...(10) H SER 99 + HB2 LYS 95 OK 69 89 100 78 5.7-6.6 2960/3.0=44, ~11439=18...(10) H ALA 110 + HB2 PRO 58 OK 26 45 85 68 4.2-6.8 ~10930=40, ~10925=28...(5) H VAL 126 - HB2 LYS 95 poor 18 90 25 80 6.3-7.4 4.7/11658=39...(7) H GLY 111 - HB2 PRO 58 lone 4 41 100 10 3.3-5.9 3.7/2982=7 H VAL 126 - HB3 LYS 95 far 0 89 0 - 6.7-8.2 H LEU 123 - HB3 LYS 95 far 0 91 0 - 8.2-9.6 H LEU 123 - HB2 LYS 95 far 0 92 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 2976 from cnoeabs.peaks (4.05, 1.94, 32.34 ppm; 5.51 A): 8 out of 13 assignments used, quality = 1.00: * HA ALA 92 + HB3 LYS 95 OK 100 100 100 100 4.3-4.8 ~9948=77, ~9948=76...(16) HA ALA 92 + HB2 LYS 95 OK 100 100 100 100 2.8-3.6 2894/4.0=73, 2.1/9948=69...(16) HA LEU 96 + HB3 LYS 95 OK 98 99 100 98 4.0-5.0 2.9/7317=44, ~7316=33...(31) HA LEU 96 + HB2 LYS 95 OK 97 99 100 98 3.9-4.9 2.9/7317=44, ~7317=33...(28) HD3 PRO 81 + HB3 PRO 81 OK 77 77 100 100 3.9-3.9 3.0=100 HA LYS 95 + HB3 LYS 95 OK 63 63 100 100 2.3-2.8 3.0=100 HA LYS 95 + HB2 LYS 95 OK 62 62 100 100 2.9-3.0 3.0=100 HA LEU 122 + HB3 LYS 95 OK 41 100 75 55 5.1-7.0 3994/11658=18...(10) HA LEU 122 - HB2 LYS 95 poor 16 100 30 55 5.8-7.2 3994/11658=20...(9) HD3 PRO 81 - HB3 LYS 86 far 0 38 0 - 7.6-9.3 HB3 SER 124 - HB3 LYS 95 far 0 87 0 - 7.7-8.8 HA ARG 135 - HB3 PRO 81 far 0 41 0 - 7.8-10.9 HB3 SER 124 - HB2 LYS 95 far 0 86 0 - 8.0-9.4 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 3.4-3.6 4.0=100 H LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.1-2.9 4.0=100 H GLN 101 - HB3 LYS 95 far 0 65 0 - 9.3-10.0 H GLN 101 - HB2 LYS 95 far 0 64 0 - 10.0-10.5 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 17 assignments used, quality = 1.00: * HA LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-2.8 3.0=100 HA LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.9-3.0 3.0=100 HA SER 60 + HB2 PRO 58 OK 79 79 100 99 5.0-5.1 ~10975=50, ~10978=46...(14) HA LEU 96 + HB3 LYS 95 OK 74 78 100 94 4.0-5.0 2.9/7317=36, ~7316=26...(29) HA LEU 96 + HB2 LYS 95 OK 72 77 100 94 3.9-4.9 2.9/7317=36, ~7317=26...(27) HD3 PRO 81 + HB3 PRO 81 OK 65 65 100 100 3.9-3.9 3.0=100 HA ALA 92 + HB3 LYS 95 OK 62 63 100 99 4.3-4.8 ~9948=61, ~9948=60...(15) HA ALA 92 + HB2 LYS 95 OK 60 62 100 96 2.8-3.6 2.1/9948=60, 2894/4.0=28...(14) HB3 SER 99 - HB3 LYS 95 far 0 93 0 - 5.5-7.5 HB2 SER 124 - HB3 LYS 95 far 0 73 0 - 6.2-7.4 HB2 SER 124 - HB2 LYS 95 far 0 72 0 - 6.5-7.8 HB3 SER 99 - HB2 LYS 95 far 0 92 0 - 7.1-8.6 HD3 PRO 81 - HB3 LYS 86 far 0 31 0 - 7.6-9.3 HB3 SER 124 - HB3 LYS 95 far 0 97 0 - 7.7-8.8 HA ARG 135 - HB3 PRO 81 far 0 82 0 - 7.8-10.9 HB3 SER 124 - HB2 LYS 95 far 0 97 0 - 8.0-9.4 HA VAL 20 - HB3 PRO 81 far 0 43 0 - 9.3-33.9 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): 8 out of 22 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 2.3-2.8 3.0=100 HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 LEU 96 + HB2 LYS 95 OK 91 98 100 92 4.9-5.7 3.8/7317=37...(26) HB2 LEU 96 + HB3 LYS 95 OK 73 99 80 92 5.2-6.4 3.8/7317=37, 3.0/2964=17...(27) QB ALA 110 + HB2 PRO 58 OK 58 83 95 74 4.1-6.0 10930/1.8=49...(4) QB ALA 109 + HB2 PRO 58 OK 31 85 45 81 5.2-6.9 9349/4.3=48...(6) QB ALA 15 - HB3 PRO 81 far 4 81 5 - 4.1-36.3 HG LEU 96 - HB2 LYS 95 far 0 97 0 - 6.3-6.8 HG LEU 96 - HB3 LYS 95 far 0 97 0 - 6.6-7.6 QB ALA 15 - HB3 LYS 86 far 0 41 0 - 7.2-34.4 QB ALA 12 - HB2 LYS 95 far 0 62 0 - 7.3-32.4 QB ALA 108 - HB2 PRO 58 far 0 84 0 - 7.7-9.7 QB ALA 15 - HB2 LYS 95 far 0 99 0 - 8.4-38.2 QB ALA 12 - HB3 LYS 95 far 0 63 0 - 8.5-33.1 QB ALA 15 - HB3 LYS 95 far 0 100 0 - 8.5-39.0 QB ALA 12 - HB3 LYS 86 far 0 20 0 - 8.6-35.2 QB ALA 16 - HB3 PRO 81 far 0 67 0 - 9.0-37.6 HG2 LYS 19 - HB3 PRO 81 far 0 56 0 - 9.4-37.9 QB ALA 16 - HB3 LYS 86 far 0 32 0 - 9.9-36.1 HG2 LYS 19 - HB3 LYS 86 far 0 26 0 - 9.9-37.0 Violated in 0 structures by 0.00 A. Peak 2982 from cnoeabs.peaks (1.39, 1.94, 32.34 ppm; 5.31 A): 8 out of 22 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 2.6-3.0 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-2.8 3.0=100 HB2 LEU 96 + HB2 LYS 95 OK 92 99 100 92 4.9-5.7 3.8/7317=37...(26) HB2 LEU 96 + HB3 LYS 95 OK 73 100 80 92 5.2-6.4 3.8/7317=37, 3.0/2964=17...(27) QB ALA 110 + HB2 PRO 58 OK 59 84 95 74 4.1-6.0 10930/1.8=49...(4) QB ALA 109 + HB2 PRO 58 OK 31 84 45 81 5.2-6.9 9349/4.3=47...(6) QB ALA 15 - HB3 PRO 81 far 4 82 5 - 4.1-36.3 HG LEU 96 - HB2 LYS 95 far 0 95 0 - 6.3-6.8 HG LEU 96 - HB3 LYS 95 far 0 96 0 - 6.6-7.6 QB ALA 15 - HB3 LYS 86 far 0 41 0 - 7.2-34.4 QB ALA 12 - HB2 LYS 95 far 0 67 0 - 7.3-32.4 QB ALA 108 - HB2 PRO 58 far 0 85 0 - 7.7-9.7 QB ALA 15 - HB2 LYS 95 far 0 100 0 - 8.4-38.2 QB ALA 12 - HB3 LYS 95 far 0 68 0 - 8.5-33.1 QB ALA 15 - HB3 LYS 95 far 0 100 0 - 8.5-39.0 QB ALA 12 - HB3 LYS 86 far 0 23 0 - 8.6-35.2 QB ALA 16 - HB3 PRO 81 far 0 64 0 - 9.0-37.6 HG2 LYS 19 - HB3 PRO 81 far 0 60 0 - 9.4-37.9 QB ALA 16 - HB3 LYS 86 far 0 30 0 - 9.9-36.1 HG2 LYS 19 - HB3 LYS 86 far 0 28 0 - 9.9-37.0 Violated in 0 structures by 0.00 A. Peak 2983 from cnoeabs.peaks (1.65, 1.94, 32.34 ppm; 4.79 A): 8 out of 27 assignments used, quality = 1.00: * HD2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-3.5 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.4-4.2 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 99 99 100 100 2.2-4.0 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 90 100 90 100 4.3-5.6 3158/3.0=81, ~2963=50...(23) HD3 LYS 86 + HB3 LYS 86 OK 41 41 100 100 2.4-2.9 3.5=100 HD2 LYS 86 + HB3 LYS 86 OK 41 41 100 100 3.6-3.9 3.5=100 HB2 LEU 98 + HB2 LYS 95 OK 25 100 25 100 5.2-6.1 3158/3.0=81, ~2963=50...(23) HG2 ARG 84 - HB3 LYS 86 far 0 32 0 - 6.0-7.3 QB ALA 88 - HB3 LYS 86 far 0 40 0 - 6.0-6.6 HG LEU 62 - HB2 PRO 58 far 0 83 0 - 6.3-6.6 HG3 ARG 84 - HB3 LYS 86 far 0 32 0 - 6.8-8.6 HG2 ARG 84 - HB3 PRO 81 far 0 67 0 - 6.8-10.8 HD2 LYS 39 - HB3 PRO 81 far 0 53 0 - 7.6-10.6 HG3 ARG 84 - HB3 PRO 81 far 0 67 0 - 7.7-10.6 HD3 LYS 19 - HB3 LYS 86 far 0 41 0 - 7.9-39.2 QB ALA 88 - HB2 LYS 95 far 0 98 0 - 8.1-9.5 HD2 LYS 19 - HB3 LYS 86 far 0 41 0 - 8.7-39.0 HD2 LYS 86 - HB3 PRO 81 far 0 81 0 - 9.2-11.5 QB ALA 88 - HB3 LYS 95 far 0 99 0 - 9.3-10.7 HD3 LYS 86 - HB3 PRO 81 far 0 81 0 - 9.4-10.8 HD3 LYS 19 - HB3 PRO 81 far 0 81 0 - 9.5-40.2 QB ALA 88 - HB3 PRO 81 far 0 80 0 - 9.5-11.5 HB2 LEU 123 - HB3 LYS 95 far 0 100 0 - 9.5-10.8 HG3 ARG 23 - HB3 LYS 86 far 0 20 0 - 9.6-28.3 HB2 LEU 69 - HB2 LYS 95 far 0 91 0 - 9.6-10.2 HB2 LEU 123 - HB2 LYS 95 far 0 99 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 2984 from cnoeabs.peaks (1.66, 1.94, 32.34 ppm; 4.79 A): 8 out of 26 assignments used, quality = 1.00: * HD3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.4-4.2 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-4.0 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 99 99 100 100 2.2-3.5 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 89 99 90 100 4.3-5.6 3158/3.0=80, ~2963=50...(23) HD3 LYS 86 + HB3 LYS 86 OK 42 42 100 100 2.4-2.9 3.5=100 HD2 LYS 86 + HB3 LYS 86 OK 42 42 100 100 3.6-3.9 3.5=100 HB2 LEU 98 + HB2 LYS 95 OK 25 98 25 100 5.2-6.1 3158/3.0=80, ~2963=50...(23) HG2 ARG 84 - HB3 LYS 86 far 0 27 0 - 6.0-7.3 QB ALA 88 - HB3 LYS 86 far 0 41 0 - 6.0-6.6 HG LEU 62 - HB2 PRO 58 far 0 78 0 - 6.3-6.6 HG3 ARG 84 - HB3 LYS 86 far 0 27 0 - 6.8-8.6 HG2 ARG 84 - HB3 PRO 81 far 0 58 0 - 6.8-10.8 HD2 LYS 39 - HB3 PRO 81 far 0 64 0 - 7.6-10.6 HG3 ARG 84 - HB3 PRO 81 far 0 58 0 - 7.7-10.6 HD3 LYS 19 - HB3 LYS 86 far 0 38 0 - 7.9-39.2 QB ALA 88 - HB2 LYS 95 far 0 100 0 - 8.1-9.5 HD2 LYS 19 - HB3 LYS 86 far 0 38 0 - 8.7-39.0 HD2 LYS 86 - HB3 PRO 81 far 0 82 0 - 9.2-11.5 QB ALA 88 - HB3 LYS 95 far 0 100 0 - 9.3-10.7 HD3 LYS 86 - HB3 PRO 81 far 0 82 0 - 9.4-10.8 HD3 LYS 19 - HB3 PRO 81 far 0 77 0 - 9.5-40.2 QB ALA 88 - HB3 PRO 81 far 0 82 0 - 9.5-11.5 HB2 LEU 123 - HB3 LYS 95 far 0 98 0 - 9.5-10.8 HB2 LEU 69 - HB2 LYS 95 far 0 97 0 - 9.6-10.2 HB2 LEU 123 - HB2 LYS 95 far 0 97 0 - 9.9-11.5 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: * HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.9-4.5 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 4.1-5.3 5.3=100 HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 3.2-4.6 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 83 83 100 99 4.6-5.4 6718/4.3=97, 4.5/9332=59...(5) HB2 ASN 116 - HB2 PRO 58 far 0 44 0 - 9.6-11.0 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: HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.9-4.5 5.3=100 * HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 4.1-5.3 5.3=100 HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 3.2-4.6 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 83 83 100 99 4.6-5.4 6718/4.3=97, 4.5/9332=59...(5) HB2 ASN 116 - HB2 PRO 58 far 0 44 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 2987 from cnoeabs.peaks (8.27, 1.94, 32.34 ppm; 6.73 A): 7 out of 10 assignments used, quality = 1.00: * H LEU 96 + HB3 LYS 95 OK 100 100 100 100 3.3-4.1 4.6=100 H LEU 96 + HB2 LYS 95 OK 100 100 100 100 2.8-3.1 4.6=100 H SER 99 + HB3 LYS 95 OK 75 89 100 84 4.8-5.6 2960/3.0=46, ~11439=22...(11) H VAL 126 + HB2 LYS 95 OK 73 89 95 86 6.3-7.4 3.6/11650=46...(7) H SER 99 + HB2 LYS 95 OK 73 88 100 83 5.7-6.6 2960/3.0=46, ~11439=22...(10) H VAL 126 + HB3 LYS 95 OK 52 90 70 82 6.7-8.2 4.7/11658=40...(10) H ALA 110 + HB2 PRO 58 OK 38 51 100 75 4.2-6.8 ~10930=48, ~10925=34...(5) H GLY 111 - HB2 PRO 58 lone 5 47 100 11 3.3-5.9 3.7/2982=8, 7578/2981=1 H LEU 123 - HB3 LYS 95 far 0 92 0 - 8.2-9.6 H LEU 123 - HB2 LYS 95 far 0 91 0 - 8.5-10.1 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 3 assignments used, quality = 1.00: * H LYS 95 + HG2 LYS 95 OK 100 100 100 100 1.9-4.5 4.6=98, 7302/1.8=42...(34) H LYS 95 + HG3 LYS 95 OK 100 100 100 100 1.6-4.1 4.6=98, 7301/1.8=42...(33) H GLN 101 - HG3 LYS 95 far 0 65 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 2989 from cnoeabs.peaks (4.02, 1.39, 25.61 ppm; 4.11 A): 3 out of 12 assignments used, quality = 1.00: * HA LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.8-4.0 3.9=100 HA LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-3.3 3.9=100 HA ALA 92 + HG2 LYS 95 OK 27 63 45 94 2.1-5.0 ~9948=34, ~9948=34...(19) HA ALA 92 - HG3 LYS 95 far 6 62 10 - 2.5-5.4 HA LEU 96 - HG3 LYS 95 far 0 78 0 - 5.8-6.7 HA LEU 96 - HG2 LYS 95 far 0 78 0 - 6.1-6.6 HB3 SER 99 - HG2 LYS 95 far 0 93 0 - 6.7-9.8 HB3 SER 99 - HG3 LYS 95 far 0 93 0 - 6.8-9.5 HB2 SER 124 - HG2 LYS 95 far 0 73 0 - 6.9-9.1 HB2 SER 124 - HG3 LYS 95 far 0 73 0 - 8.2-9.5 HB3 SER 124 - HG2 LYS 95 far 0 97 0 - 8.4-10.8 HB3 SER 124 - HG3 LYS 95 far 0 97 0 - 9.8-10.7 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 2.3-2.8 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 2.6-3.0 3.0=100 HB3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 90 - HG3 LYS 95 far 0 93 0 - 7.2-9.9 HB3 ARG 90 - HG2 LYS 95 far 0 93 0 - 7.3-10.6 HB2 MET 11 - HG2 LYS 95 far 0 93 0 - 7.4-44.1 HB2 MET 11 - HG3 LYS 95 far 0 93 0 - 7.6-42.4 HB2 ARG 90 - HG3 LYS 95 far 0 73 0 - 7.9-10.6 HB2 ARG 90 - HG2 LYS 95 far 0 73 0 - 8.0-11.1 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 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 2.3-2.8 3.0=100 HB2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 ARG 90 - HG3 LYS 95 far 0 96 0 - 7.2-9.9 HB3 ARG 90 - HG2 LYS 95 far 0 97 0 - 7.3-10.6 HB2 MET 11 - HG2 LYS 95 far 0 89 0 - 7.4-44.1 HB2 MET 11 - HG3 LYS 95 far 0 88 0 - 7.6-42.4 HB2 ARG 90 - HG3 LYS 95 far 0 65 0 - 7.9-10.6 HB2 ARG 90 - HG2 LYS 95 far 0 65 0 - 8.0-11.1 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): 4 out of 8 assignments used, quality = 1.00: * HD2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HD3 LYS 95 + HG3 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HB2 LEU 98 - HG3 LYS 95 poor 17 100 30 57 4.0-5.9 3158/3.9=39...(7) HB2 LEU 98 - HG2 LYS 95 far 0 100 0 - 5.2-6.6 QB ALA 88 - HG2 LYS 95 far 0 99 0 - 7.7-10.4 QB ALA 88 - HG3 LYS 95 far 0 99 0 - 8.2-10.7 Violated in 0 structures by 0.00 A. Peak 2995 from cnoeabs.peaks (1.66, 1.39, 25.61 ppm; 3.56 A): 4 out of 8 assignments used, quality = 1.00: * HD3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HD3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 95 + HG3 LYS 95 OK 99 99 100 100 2.3-3.0 2.9=100 HB2 LEU 98 - HG3 LYS 95 poor 17 99 30 56 4.0-5.9 3158/3.9=39...(7) HB2 LEU 98 - HG2 LYS 95 far 0 99 0 - 5.2-6.6 QB ALA 88 - HG2 LYS 95 far 0 100 0 - 7.7-10.4 QB ALA 88 - HG3 LYS 95 far 0 100 0 - 8.2-10.7 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: * HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.0-3.5 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.7 3.7=100 HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-3.7 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.9-4.2 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: HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.0-3.5 3.7=100 * HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.7 3.7=100 HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-3.7 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.9-4.2 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 6 assignments used, quality = 1.00: * H LEU 96 + HG2 LYS 95 OK 100 100 100 100 3.9-5.4 7316/3.0=49, 3.1/7301=49...(34) H LEU 96 + HG3 LYS 95 OK 100 100 100 100 3.5-5.2 7316/3.0=49, 7317/3.0=49...(35) H SER 99 + HG3 LYS 95 OK 70 88 95 83 5.7-7.2 2960/3.9=42...(9) H SER 99 + HG2 LYS 95 OK 50 89 75 75 6.2-7.7 2960/3.9=42, 2987/3.0=18...(7) H VAL 126 - HG2 LYS 95 far 0 90 0 - 8.0-9.2 H VAL 126 - HG3 LYS 95 far 0 90 0 - 8.3-9.8 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 3 assignments used, quality = 1.00: * H LYS 95 + HG3 LYS 95 OK 100 100 100 100 1.6-4.1 4.6=98, 7301/1.8=42...(33) H LYS 95 + HG2 LYS 95 OK 100 100 100 100 1.9-4.5 4.6=98, 7302/1.8=42...(34) H GLN 101 - HG3 LYS 95 far 0 65 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 3000 from cnoeabs.peaks (4.02, 1.39, 25.61 ppm; 4.11 A): 3 out of 12 assignments used, quality = 1.00: * HA LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-3.3 3.9=100 HA LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.8-4.0 3.9=100 HA ALA 92 + HG2 LYS 95 OK 26 62 45 94 2.1-5.0 ~9948=34, ~9948=34...(19) HA ALA 92 - HG3 LYS 95 far 6 63 10 - 2.5-5.4 HA LEU 96 - HG3 LYS 95 far 0 78 0 - 5.8-6.7 HA LEU 96 - HG2 LYS 95 far 0 78 0 - 6.1-6.6 HB3 SER 99 - HG2 LYS 95 far 0 93 0 - 6.7-9.8 HB3 SER 99 - HG3 LYS 95 far 0 93 0 - 6.8-9.5 HB2 SER 124 - HG2 LYS 95 far 0 73 0 - 6.9-9.1 HB2 SER 124 - HG3 LYS 95 far 0 73 0 - 8.2-9.5 HB3 SER 124 - HG2 LYS 95 far 0 97 0 - 8.4-10.8 HB3 SER 124 - HG3 LYS 95 far 0 97 0 - 9.8-10.7 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 2.6-3.0 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 2.3-2.8 3.0=100 HB3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 90 - HG3 LYS 95 far 0 93 0 - 7.2-9.9 HB3 ARG 90 - HG2 LYS 95 far 0 93 0 - 7.3-10.6 HB2 MET 11 - HG2 LYS 95 far 0 93 0 - 7.4-44.1 HB2 MET 11 - HG3 LYS 95 far 0 93 0 - 7.6-42.4 HB2 ARG 90 - HG3 LYS 95 far 0 73 0 - 7.9-10.6 HB2 ARG 90 - HG2 LYS 95 far 0 73 0 - 8.0-11.1 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 2.6-3.0 3.0=100 HB2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 ARG 90 - HG3 LYS 95 far 0 97 0 - 7.2-9.9 HB3 ARG 90 - HG2 LYS 95 far 0 96 0 - 7.3-10.6 HB2 MET 11 - HG2 LYS 95 far 0 88 0 - 7.4-44.1 HB2 MET 11 - HG3 LYS 95 far 0 89 0 - 7.6-42.4 HB2 ARG 90 - HG3 LYS 95 far 0 65 0 - 7.9-10.6 HB2 ARG 90 - HG2 LYS 95 far 0 65 0 - 8.0-11.1 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): 4 out of 8 assignments used, quality = 1.00: * HD2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 95 + HG2 LYS 95 OK 99 99 100 100 2.5-3.0 2.9=100 HB2 LEU 98 - HG3 LYS 95 poor 17 100 30 57 4.0-5.9 3158/3.9=39...(7) HB2 LEU 98 - HG2 LYS 95 far 0 100 0 - 5.2-6.6 QB ALA 88 - HG2 LYS 95 far 0 99 0 - 7.7-10.4 QB ALA 88 - HG3 LYS 95 far 0 99 0 - 8.2-10.7 Violated in 0 structures by 0.00 A. Peak 3006 from cnoeabs.peaks (1.66, 1.39, 25.61 ppm; 3.56 A): 4 out of 8 assignments used, quality = 1.00: * HD3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HD2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 95 + HG2 LYS 95 OK 99 99 100 100 2.3-3.0 2.9=100 HB2 LEU 98 - HG3 LYS 95 poor 17 99 30 56 4.0-5.9 3158/3.9=39...(7) HB2 LEU 98 - HG2 LYS 95 far 0 99 0 - 5.2-6.6 QB ALA 88 - HG2 LYS 95 far 0 100 0 - 7.7-10.4 QB ALA 88 - HG3 LYS 95 far 0 100 0 - 8.2-10.7 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 2.1-3.7 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.9-4.2 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.0-3.5 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.7 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 2.1-3.7 3.7=100 * HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.9-4.2 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.0-3.5 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.7 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 6 assignments used, quality = 1.00: * H LEU 96 + HG3 LYS 95 OK 100 100 100 100 3.5-5.2 7316/3.0=49, 7317/3.0=49...(35) H LEU 96 + HG2 LYS 95 OK 100 100 100 100 3.9-5.4 7316/3.0=49, 7317/3.0=49...(34) H SER 99 + HG3 LYS 95 OK 70 89 95 83 5.7-7.2 2960/3.9=42...(9) H SER 99 + HG2 LYS 95 OK 49 88 75 75 6.2-7.7 2960/3.9=42, 2987/3.0=18...(7) H VAL 126 - HG2 LYS 95 far 0 90 0 - 8.0-9.2 H VAL 126 - HG3 LYS 95 far 0 90 0 - 8.3-9.8 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 2 assignments used, quality = 1.00: * H LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-4.7 5.5=75, 7304/1.8=45...(44) H LYS 95 + HD3 LYS 95 OK 99 99 100 100 1.9-4.5 5.5=75, 7303/1.8=45...(44) 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 2.7-4.9 5.0=73, 2.9/7303=32...(24) HA LYS 95 + HD3 LYS 95 OK 99 99 100 100 3.1-4.7 5.0=73, 2.9/7303=32...(25) HA ALA 92 + HD3 LYS 95 OK 58 60 100 97 3.1-4.7 3033/3.0=41, 3044/3.0=34...(21) HA ALA 92 + HD2 LYS 95 OK 55 63 90 97 1.8-5.5 3044/3.0=41, 3044/3.0=34...(20) HA LEU 96 - HD3 LYS 95 far 0 75 0 - 6.4-8.0 HA LEU 96 - HD2 LYS 95 far 0 78 0 - 6.4-8.0 HB2 SER 124 - HD3 LYS 95 far 0 70 0 - 6.4-10.0 HB2 SER 124 - HD2 LYS 95 far 0 73 0 - 7.0-10.4 HB3 SER 124 - HD3 LYS 95 far 0 95 0 - 8.1-11.6 HB3 SER 99 - HD3 LYS 95 far 0 91 0 - 8.8-10.3 HB3 SER 124 - HD2 LYS 95 far 0 97 0 - 8.8-12.0 HB3 SER 99 - HD2 LYS 95 far 0 93 0 - 8.9-10.6 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 10 assignments used, quality = 1.00: * HB2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.2-3.5 3.7=100 HB3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HB2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-4.0 3.7=100 HB3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.4-4.2 3.7=100 HB2 MET 11 - HD2 LYS 95 far 0 93 0 - 5.5-43.2 HB2 MET 11 - HD3 LYS 95 far 0 91 0 - 5.7-42.3 HB3 ARG 90 - HD3 LYS 95 far 0 91 0 - 6.1-10.3 HB2 ARG 90 - HD3 LYS 95 far 0 70 0 - 6.8-10.5 HB3 ARG 90 - HD2 LYS 95 far 0 93 0 - 6.9-9.4 HB2 ARG 90 - HD2 LYS 95 far 0 73 0 - 7.7-10.1 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 10 assignments used, quality = 1.00: * HB3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HB2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.2-3.5 3.7=100 HB3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.4-4.2 3.7=100 HB2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-4.0 3.7=100 HB2 MET 11 - HD2 LYS 95 far 0 89 0 - 5.5-43.2 HB2 MET 11 - HD3 LYS 95 far 0 86 0 - 5.7-42.3 HB3 ARG 90 - HD3 LYS 95 far 0 94 0 - 6.1-10.3 HB2 ARG 90 - HD3 LYS 95 far 0 63 0 - 6.8-10.5 HB3 ARG 90 - HD2 LYS 95 far 0 97 0 - 6.9-9.4 HB2 ARG 90 - HD2 LYS 95 far 0 65 0 - 7.7-10.1 Violated in 0 structures by 0.00 A. Peak 3014 from cnoeabs.peaks (1.39, 1.65, 29.32 ppm; 6.72 A): 4 out of 12 assignments used, quality = 1.00: * HG2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.5-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HB2 LEU 96 - HD3 LYS 95 far 15 97 15 - 7.1-8.9 HB2 LEU 96 - HD2 LYS 95 poor 14 99 25 57 6.7-9.2 3.8/3020=34, 2970/3.7=13...(5) QB ALA 12 - HD3 LYS 95 far 6 60 10 - 5.5-31.9 QB ALA 12 - HD2 LYS 95 far 3 63 5 - 5.6-32.8 HG LEU 96 - HD3 LYS 95 far 0 95 0 - 7.4-9.8 QB ALA 15 - HD3 LYS 95 far 0 98 0 - 7.8-38.1 HG LEU 96 - HD2 LYS 95 far 0 97 0 - 8.0-10.0 QB ALA 15 - HD2 LYS 95 far 0 100 0 - 8.0-39.2 Violated in 0 structures by 0.00 A. Peak 3015 from cnoeabs.peaks (1.39, 1.65, 29.32 ppm; 6.59 A): 4 out of 12 assignments used, quality = 1.00: * HG3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.5-3.0 2.9=100 HB2 LEU 96 - HD2 LYS 95 poor 20 100 20 - 6.7-9.2 QB ALA 12 - HD3 LYS 95 far 7 65 10 - 5.5-31.9 HB2 LEU 96 - HD3 LYS 95 far 5 98 5 - 7.1-8.9 QB ALA 12 - HD2 LYS 95 far 3 68 5 - 5.6-32.8 HG LEU 96 - HD3 LYS 95 far 0 93 0 - 7.4-9.8 QB ALA 15 - HD3 LYS 95 far 0 99 0 - 7.8-38.1 HG LEU 96 - HD2 LYS 95 far 0 96 0 - 8.0-10.0 QB ALA 15 - HD2 LYS 95 far 0 100 0 - 8.0-39.2 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 4 assignments used, quality = 1.00: HE3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 * HE2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-2.9 3.0=100 HE2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 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 4 assignments used, quality = 1.00: * HE3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-2.9 3.0=100 HE2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3020 from cnoeabs.peaks (8.27, 1.65, 29.32 ppm; 6.80 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 96 + HD2 LYS 95 OK 100 100 100 100 4.4-6.4 3.1/7303=49, 7316/3.7=48...(26) H LEU 96 + HD3 LYS 95 OK 99 99 100 100 4.0-6.1 3.1/7303=49, 7316/3.7=48...(25) H SER 99 - HD2 LYS 95 far 13 89 15 - 7.0-8.7 H SER 99 - HD3 LYS 95 far 0 86 0 - 7.4-8.2 H VAL 126 - HD2 LYS 95 far 0 90 0 - 7.8-10.6 H VAL 126 - HD3 LYS 95 far 0 87 0 - 8.2-10.5 H LEU 123 - HD3 LYS 95 far 0 89 0 - 10.0-12.6 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 2 assignments used, quality = 1.00: * H LYS 95 + HD3 LYS 95 OK 100 100 100 100 1.9-4.5 5.5=75, 7303/1.8=45...(44) H LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-4.7 5.5=75, 7304/1.8=45...(44) 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 3.1-4.7 5.0=73, 2.9/7304=32...(25) HA LYS 95 + HD2 LYS 95 OK 98 99 100 100 2.7-4.9 5.0=73, 2.9/7304=32...(24) HA ALA 92 + HD3 LYS 95 OK 61 63 100 97 3.1-4.7 3033/3.0=41, 3044/3.0=34...(21) HA ALA 92 + HD2 LYS 95 OK 52 60 90 97 1.8-5.5 3044/3.0=41, 3044/3.0=34...(20) HA LEU 96 - HD3 LYS 95 far 0 78 0 - 6.4-8.0 HA LEU 96 - HD2 LYS 95 far 0 75 0 - 6.4-8.0 HB2 SER 124 - HD3 LYS 95 far 0 73 0 - 6.4-10.0 HB2 SER 124 - HD2 LYS 95 far 0 70 0 - 7.0-10.4 HB3 SER 124 - HD3 LYS 95 far 0 97 0 - 8.1-11.6 HB3 SER 99 - HD3 LYS 95 far 0 93 0 - 8.8-10.3 HB3 SER 124 - HD2 LYS 95 far 0 95 0 - 8.8-12.0 HB3 SER 99 - HD2 LYS 95 far 0 91 0 - 8.9-10.6 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 10 assignments used, quality = 1.00: * HB2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-4.0 3.7=100 HB3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.4-4.2 3.7=100 HB2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.2-3.5 3.7=100 HB3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.1-4.2 3.7=100 HB2 MET 11 - HD2 LYS 95 far 0 91 0 - 5.5-43.2 HB2 MET 11 - HD3 LYS 95 far 0 93 0 - 5.7-42.3 HB3 ARG 90 - HD3 LYS 95 far 0 93 0 - 6.1-10.3 HB2 ARG 90 - HD3 LYS 95 far 0 73 0 - 6.8-10.5 HB3 ARG 90 - HD2 LYS 95 far 0 91 0 - 6.9-9.4 HB2 ARG 90 - HD2 LYS 95 far 0 70 0 - 7.7-10.1 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 10 assignments used, quality = 1.00: * HB3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.4-4.2 3.7=100 HB2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-4.0 3.7=100 HB3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.1-4.2 3.7=100 HB2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.2-3.5 3.7=100 HB2 MET 11 - HD2 LYS 95 far 0 86 0 - 5.5-43.2 HB2 MET 11 - HD3 LYS 95 far 0 89 0 - 5.7-42.3 HB3 ARG 90 - HD3 LYS 95 far 0 97 0 - 6.1-10.3 HB2 ARG 90 - HD3 LYS 95 far 0 65 0 - 6.8-10.5 HB3 ARG 90 - HD2 LYS 95 far 0 94 0 - 6.9-9.4 HB2 ARG 90 - HD2 LYS 95 far 0 63 0 - 7.7-10.1 Violated in 0 structures by 0.00 A. Peak 3025 from cnoeabs.peaks (1.39, 1.66, 29.32 ppm; 6.80 A): 4 out of 12 assignments used, quality = 1.00: * HG2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 2.9=100 HB2 LEU 96 - HD3 LYS 95 poor 20 99 20 - 7.1-8.9 HB2 LEU 96 - HD2 LYS 95 poor 14 97 25 58 6.7-9.2 3.8/3031=34, 2970/3.7=13...(5) QB ALA 12 - HD3 LYS 95 far 6 63 10 - 5.5-31.9 HG LEU 96 - HD3 LYS 95 far 5 97 5 - 7.4-9.8 QB ALA 12 - HD2 LYS 95 far 3 60 5 - 5.6-32.8 QB ALA 15 - HD3 LYS 95 far 0 100 0 - 7.8-38.1 HG LEU 96 - HD2 LYS 95 far 0 95 0 - 8.0-10.0 QB ALA 15 - HD2 LYS 95 far 0 98 0 - 8.0-39.2 Violated in 0 structures by 0.00 A. Peak 3026 from cnoeabs.peaks (1.39, 1.66, 29.32 ppm; 6.76 A): 4 out of 12 assignments used, quality = 1.00: * HG3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 2.9=100 HB2 LEU 96 - HD3 LYS 95 poor 20 100 20 - 7.1-8.9 HB2 LEU 96 - HD2 LYS 95 poor 14 98 25 57 6.7-9.2 3.8/3031=34, 2970/3.7=13...(5) QB ALA 12 - HD3 LYS 95 far 7 68 10 - 5.5-31.9 QB ALA 12 - HD2 LYS 95 far 3 65 5 - 5.6-32.8 HG LEU 96 - HD3 LYS 95 far 0 96 0 - 7.4-9.8 QB ALA 15 - HD3 LYS 95 far 0 100 0 - 7.8-38.1 HG LEU 96 - HD2 LYS 95 far 0 93 0 - 8.0-10.0 QB ALA 15 - HD2 LYS 95 far 0 99 0 - 8.0-39.2 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 4 assignments used, quality = 1.00: HE3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-2.9 3.0=100 * HE2 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 2.2-3.0 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 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 4 assignments used, quality = 1.00: * HE3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-2.9 3.0=100 HE2 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 2.2-3.0 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3031 from cnoeabs.peaks (8.27, 1.66, 29.32 ppm; 6.80 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 96 + HD3 LYS 95 OK 100 100 100 100 4.0-6.1 3.1/7304=49, 7316/3.7=48...(25) H LEU 96 + HD2 LYS 95 OK 99 99 100 100 4.4-6.4 3.1/7304=49, 7316/3.7=48...(26) H SER 99 - HD2 LYS 95 far 13 86 15 - 7.0-8.7 H SER 99 - HD3 LYS 95 far 0 89 0 - 7.4-8.2 H VAL 126 - HD2 LYS 95 far 0 87 0 - 7.8-10.6 H VAL 126 - HD3 LYS 95 far 0 90 0 - 8.2-10.5 H LEU 123 - HD3 LYS 95 far 0 92 0 - 10.0-12.6 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 2 assignments used, quality = 1.00: * H LYS 95 + HE2 LYS 95 OK 100 100 100 100 3.7-5.4 6.7=41, 7304/3.0=38...(35) H LYS 95 + HE3 LYS 95 OK 100 100 100 100 4.1-4.9 6.7=41, 7304/3.0=38...(35) Violated in 0 structures by 0.00 A. Peak 3033 from cnoeabs.peaks (4.02, 2.88, 41.80 ppm; 3.92 A): 2 out of 12 assignments used, quality = 0.77: HA ALA 92 + HE3 LYS 95 OK 57 63 100 91 2.1-4.4 2.1/9950=32...(22) HA ALA 92 + HE2 LYS 95 OK 48 63 85 89 2.1-4.7 ~9950=24, ~11351=21...(21) ! HA LYS 95 - HE2 LYS 95 far 0 100 0 - 4.6-5.4 HA LYS 95 - HE3 LYS 95 far 0 100 0 - 5.1-6.1 HA LEU 96 - HE2 LYS 95 far 0 78 0 - 6.3-9.1 HB2 SER 124 - HE2 LYS 95 far 0 73 0 - 6.3-10.2 HB2 SER 124 - HE3 LYS 95 far 0 73 0 - 7.7-10.3 HA LEU 96 - HE3 LYS 95 far 0 78 0 - 7.7-8.8 HB3 SER 124 - HE2 LYS 95 far 0 97 0 - 8.0-11.9 HB3 SER 99 - HE2 LYS 95 far 0 93 0 - 8.4-12.0 HB3 SER 124 - HE3 LYS 95 far 0 97 0 - 9.4-12.1 HB3 SER 99 - HE3 LYS 95 far 0 93 0 - 9.9-12.2 Violated in 2 structures by 0.01 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 98 100 100 98 3.2-4.6 5.3=57, 4.0/3043=22...(21) HB3 LYS 95 + HE2 LYS 95 OK 97 100 100 97 2.9-4.5 5.3=57, 3.0/2958=24...(19) * HB2 LYS 95 + HE2 LYS 95 OK 92 100 95 97 2.0-5.4 5.3=57, 3.0/2958=24...(21) HB3 LYS 95 + HE3 LYS 95 OK 73 100 75 97 4.1-5.3 5.3=57, 4.0/3032=22...(19) HB2 MET 11 - HE3 LYS 95 far 5 93 5 - 4.2-44.3 HB3 ARG 90 - HE3 LYS 95 far 0 93 0 - 5.8-8.4 HB2 MET 11 - HE2 LYS 95 far 0 93 0 - 5.8-44.5 HB2 ARG 90 - HE3 LYS 95 far 0 73 0 - 6.1-8.6 HB3 ARG 90 - HE2 LYS 95 far 0 93 0 - 7.6-9.9 HB2 ARG 90 - HE2 LYS 95 far 0 73 0 - 7.8-10.1 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 98 100 100 98 3.2-4.6 5.3=57, 4.0/3043=22...(21) * HB3 LYS 95 + HE2 LYS 95 OK 97 100 100 97 2.9-4.5 5.3=57, 3.0/2958=24...(19) HB2 LYS 95 + HE2 LYS 95 OK 92 100 95 97 2.0-5.4 5.3=57, 3.0/2958=24...(21) HB3 LYS 95 + HE3 LYS 95 OK 73 100 75 97 4.1-5.3 5.3=57, 4.0/3032=22...(19) HB2 MET 11 - HE3 LYS 95 far 4 89 5 - 4.2-44.3 HB3 ARG 90 - HE3 LYS 95 far 0 97 0 - 5.8-8.4 HB2 MET 11 - HE2 LYS 95 far 0 89 0 - 5.8-44.5 HB2 ARG 90 - HE3 LYS 95 far 0 65 0 - 6.1-8.6 HB3 ARG 90 - HE2 LYS 95 far 0 97 0 - 7.6-9.9 HB2 ARG 90 - HE2 LYS 95 far 0 65 0 - 7.8-10.1 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 12 assignments used, quality = 1.00: * HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.0-3.5 3.7=100 HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.7 3.7=100 HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-3.7 3.7=100 HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.9-4.2 3.7=100 QB ALA 12 - HE3 LYS 95 far 0 63 0 - 5.5-33.5 QB ALA 12 - HE2 LYS 95 far 0 63 0 - 6.3-33.7 QB ALA 15 - HE2 LYS 95 far 0 100 0 - 6.4-39.6 HB2 LEU 96 - HE2 LYS 95 far 0 99 0 - 6.7-9.9 QB ALA 15 - HE3 LYS 95 far 0 100 0 - 7.5-39.5 HB2 LEU 96 - HE3 LYS 95 far 0 99 0 - 8.0-9.3 HG LEU 96 - HE2 LYS 95 far 0 97 0 - 8.2-10.8 HG LEU 96 - HE3 LYS 95 far 0 97 0 - 9.4-10.4 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 12 assignments used, quality = 1.00: * HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-3.7 3.7=100 HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.9-4.2 3.7=100 HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.0-3.5 3.7=100 HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.7 3.7=100 QB ALA 12 - HE3 LYS 95 far 0 68 0 - 5.5-33.5 QB ALA 12 - HE2 LYS 95 far 0 68 0 - 6.3-33.7 QB ALA 15 - HE2 LYS 95 far 0 100 0 - 6.4-39.6 HB2 LEU 96 - HE2 LYS 95 far 0 100 0 - 6.7-9.9 QB ALA 15 - HE3 LYS 95 far 0 100 0 - 7.5-39.5 HB2 LEU 96 - HE3 LYS 95 far 0 100 0 - 8.0-9.3 HG LEU 96 - HE2 LYS 95 far 0 96 0 - 8.2-10.8 HG LEU 96 - HE3 LYS 95 far 0 96 0 - 9.4-10.4 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 8 assignments used, quality = 1.00: HD2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-2.9 3.0=100 HD3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 88 - HE3 LYS 95 far 0 99 0 - 6.4-7.4 HB2 LEU 98 - HE2 LYS 95 far 0 100 0 - 7.0-7.8 QB ALA 88 - HE2 LYS 95 far 0 99 0 - 7.2-8.6 HB2 LEU 98 - HE3 LYS 95 far 0 100 0 - 7.7-8.7 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 8 assignments used, quality = 1.00: HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-2.9 3.0=100 * HD3 LYS 95 + HE2 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 2.2-3.0 3.0=100 HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 88 - HE3 LYS 95 far 0 100 0 - 6.4-7.4 HB2 LEU 98 - HE2 LYS 95 far 0 99 0 - 7.0-7.8 QB ALA 88 - HE2 LYS 95 far 0 100 0 - 7.2-8.6 HB2 LEU 98 - HE3 LYS 95 far 0 99 0 - 7.7-8.7 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): 2 out of 7 assignments used, quality = 1.00: * H LEU 96 + HE2 LYS 95 OK 100 100 100 100 4.7-7.1 3.1/3032=47, 3.6/2958=46...(16) H LEU 96 + HE3 LYS 95 OK 100 100 100 100 5.7-6.8 3.1/3032=47, 3.6/3044=42...(16) H VAL 126 - HE2 LYS 95 far 0 90 0 - 7.6-11.5 H SER 99 - HE2 LYS 95 far 0 89 0 - 7.7-9.6 H VAL 126 - HE3 LYS 95 far 0 90 0 - 9.0-10.8 H SER 99 - HE3 LYS 95 far 0 89 0 - 9.1-10.1 H LEU 123 - HE2 LYS 95 far 0 92 0 - 9.9-13.7 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 2 assignments used, quality = 1.00: H LYS 95 + HE2 LYS 95 OK 100 100 100 100 3.7-5.4 6.7=41, 7304/3.0=38...(35) * H LYS 95 + HE3 LYS 95 OK 100 100 100 100 4.1-4.9 6.7=41, 7304/3.0=38...(35) Violated in 0 structures by 0.00 A. Peak 3044 from cnoeabs.peaks (4.02, 2.88, 41.80 ppm; 3.92 A): 2 out of 12 assignments used, quality = 0.77: HA ALA 92 + HE3 LYS 95 OK 57 63 100 91 2.1-4.4 2.1/9950=32...(22) HA ALA 92 + HE2 LYS 95 OK 48 63 85 89 2.1-4.7 ~9950=24, ~11351=21...(21) HA LYS 95 - HE2 LYS 95 far 0 100 0 - 4.6-5.4 ! HA LYS 95 - HE3 LYS 95 far 0 100 0 - 5.1-6.1 HA LEU 96 - HE2 LYS 95 far 0 78 0 - 6.3-9.1 HB2 SER 124 - HE2 LYS 95 far 0 73 0 - 6.3-10.2 HB2 SER 124 - HE3 LYS 95 far 0 73 0 - 7.7-10.3 HA LEU 96 - HE3 LYS 95 far 0 78 0 - 7.7-8.8 HB3 SER 124 - HE2 LYS 95 far 0 97 0 - 8.0-11.9 HB3 SER 99 - HE2 LYS 95 far 0 93 0 - 8.4-12.0 HB3 SER 124 - HE3 LYS 95 far 0 97 0 - 9.4-12.1 HB3 SER 99 - HE3 LYS 95 far 0 93 0 - 9.9-12.2 Violated in 2 structures by 0.01 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 98 100 100 98 3.2-4.6 5.3=57, 4.0/3043=22...(21) HB3 LYS 95 + HE2 LYS 95 OK 97 100 100 97 2.9-4.5 5.3=57, 3.0/2958=24...(19) HB2 LYS 95 + HE2 LYS 95 OK 92 100 95 97 2.0-5.4 5.3=57, 3.0/2958=24...(21) HB3 LYS 95 + HE3 LYS 95 OK 73 100 75 97 4.1-5.3 5.3=57, 4.0/3032=22...(19) HB2 MET 11 - HE3 LYS 95 far 5 93 5 - 4.2-44.3 HB3 ARG 90 - HE3 LYS 95 far 0 93 0 - 5.8-8.4 HB2 MET 11 - HE2 LYS 95 far 0 93 0 - 5.8-44.5 HB2 ARG 90 - HE3 LYS 95 far 0 73 0 - 6.1-8.6 HB3 ARG 90 - HE2 LYS 95 far 0 93 0 - 7.6-9.9 HB2 ARG 90 - HE2 LYS 95 far 0 73 0 - 7.8-10.1 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 98 100 100 98 3.2-4.6 5.3=57, 4.0/3043=22...(21) HB3 LYS 95 + HE2 LYS 95 OK 97 100 100 97 2.9-4.5 5.3=57, 3.0/2958=24...(19) HB2 LYS 95 + HE2 LYS 95 OK 92 100 95 97 2.0-5.4 5.3=57, 3.0/2958=24...(21) * HB3 LYS 95 + HE3 LYS 95 OK 73 100 75 97 4.1-5.3 5.3=57, 4.0/3032=22...(19) HB2 MET 11 - HE3 LYS 95 far 4 89 5 - 4.2-44.3 HB3 ARG 90 - HE3 LYS 95 far 0 97 0 - 5.8-8.4 HB2 MET 11 - HE2 LYS 95 far 0 89 0 - 5.8-44.5 HB2 ARG 90 - HE3 LYS 95 far 0 65 0 - 6.1-8.6 HB3 ARG 90 - HE2 LYS 95 far 0 97 0 - 7.6-9.9 HB2 ARG 90 - HE2 LYS 95 far 0 65 0 - 7.8-10.1 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 12 assignments used, quality = 1.00: HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.0-3.5 3.7=100 * HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.7 3.7=100 HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-3.7 3.7=100 HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.9-4.2 3.7=100 QB ALA 12 - HE3 LYS 95 far 0 63 0 - 5.5-33.5 QB ALA 12 - HE2 LYS 95 far 0 63 0 - 6.3-33.7 QB ALA 15 - HE2 LYS 95 far 0 100 0 - 6.4-39.6 HB2 LEU 96 - HE2 LYS 95 far 0 99 0 - 6.7-9.9 QB ALA 15 - HE3 LYS 95 far 0 100 0 - 7.5-39.5 HB2 LEU 96 - HE3 LYS 95 far 0 99 0 - 8.0-9.3 HG LEU 96 - HE2 LYS 95 far 0 97 0 - 8.2-10.8 HG LEU 96 - HE3 LYS 95 far 0 97 0 - 9.4-10.4 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 12 assignments used, quality = 1.00: HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-3.7 3.7=100 * HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.9-4.2 3.7=100 HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.0-3.5 3.7=100 HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.7 3.7=100 QB ALA 12 - HE3 LYS 95 far 0 68 0 - 5.5-33.5 QB ALA 12 - HE2 LYS 95 far 0 68 0 - 6.3-33.7 QB ALA 15 - HE2 LYS 95 far 0 100 0 - 6.4-39.6 HB2 LEU 96 - HE2 LYS 95 far 0 100 0 - 6.7-9.9 QB ALA 15 - HE3 LYS 95 far 0 100 0 - 7.5-39.5 HB2 LEU 96 - HE3 LYS 95 far 0 100 0 - 8.0-9.3 HG LEU 96 - HE2 LYS 95 far 0 96 0 - 8.2-10.8 HG LEU 96 - HE3 LYS 95 far 0 96 0 - 9.4-10.4 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 8 assignments used, quality = 1.00: * HD2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-2.9 3.0=100 HD3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 88 - HE3 LYS 95 far 0 99 0 - 6.4-7.4 HB2 LEU 98 - HE2 LYS 95 far 0 100 0 - 7.0-7.8 QB ALA 88 - HE2 LYS 95 far 0 99 0 - 7.2-8.6 HB2 LEU 98 - HE3 LYS 95 far 0 100 0 - 7.7-8.7 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 8 assignments used, quality = 1.00: * HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-2.9 3.0=100 HD3 LYS 95 + HE2 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 2.2-3.0 3.0=100 HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 88 - HE3 LYS 95 far 0 100 0 - 6.4-7.4 HB2 LEU 98 - HE2 LYS 95 far 0 99 0 - 7.0-7.8 QB ALA 88 - HE2 LYS 95 far 0 100 0 - 7.2-8.6 HB2 LEU 98 - HE3 LYS 95 far 0 99 0 - 7.7-8.7 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): 2 out of 7 assignments used, quality = 1.00: H LEU 96 + HE2 LYS 95 OK 100 100 100 100 4.7-7.1 3.1/3032=47, 3.6/2958=46...(16) * H LEU 96 + HE3 LYS 95 OK 100 100 100 100 5.7-6.8 3.1/3032=47, 3.6/3044=42...(16) H VAL 126 - HE2 LYS 95 far 0 90 0 - 7.6-11.5 H SER 99 - HE2 LYS 95 far 0 89 0 - 7.7-9.6 H VAL 126 - HE3 LYS 95 far 0 90 0 - 9.0-10.8 H SER 99 - HE3 LYS 95 far 0 89 0 - 9.1-10.1 H LEU 123 - HE2 LYS 95 far 0 92 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 3054 from cnoeabs.peaks (8.27, 4.04, 58.64 ppm; 5.56 A): 8 out of 15 assignments used, quality = 1.00: * H LEU 96 + HA LEU 96 OK 100 100 100 100 2.8-2.9 2.9=100 H VAL 126 + HA LEU 96 OK 90 90 100 100 4.4-5.0 4.0/11689=62...(20) H SER 99 + HA LEU 96 OK 88 89 100 100 3.6-4.0 3.4/7388=77, 3.7/3208=44...(19) H LEU 96 + HA LEU 122 OK 88 89 100 99 4.7-5.5 3.8/3067=32, 4.6/3100=25...(25) 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 76 76 100 100 3.1-3.8 10405/3.0=70...(22) H LEU 43 + HA GLU 44 OK 72 73 100 99 5.5-5.5 6535/3.6=73...(8) H SER 99 + HA LEU 122 OK 64 74 100 86 4.6-5.9 3.7/3208=42...(9) H LEU 123 - HA LEU 96 far 14 92 15 - 5.4-6.5 H SER 99 - HA GLU 102 far 0 60 0 - 7.3-7.8 H LEU 49 - HA GLU 44 far 0 45 0 - 7.4-7.9 H GLU 40 - HA GLU 44 far 0 80 0 - 7.7-8.3 H LEU 49 - HA LEU 122 far 0 50 0 - 8.7-10.2 H LEU 69 - HA LEU 122 far 0 59 0 - 9.1-10.1 H LEU 69 - HA LEU 96 far 0 73 0 - 9.1-9.7 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): 6 out of 16 assignments used, quality = 1.00: * HB2 LEU 96 + HA LEU 96 OK 100 100 100 100 2.2-2.2 3.0=100 HB2 LEU 96 + HA LEU 122 OK 89 89 100 100 2.8-3.2 3067=50, 10337/3.9=41...(34) HG LEU 96 + HA LEU 96 OK 89 89 100 100 3.4-3.6 3.7=100 HG LEU 96 + HA LEU 122 OK 73 74 100 99 5.0-5.5 3.0/3067=38...(25) HG2 LYS 95 + HA LEU 96 OK 58 99 60 98 6.1-6.6 ~7316=28, ~7317=28...(28) HG3 LYS 95 + HA LEU 96 OK 53 100 55 97 5.8-6.7 ~7316=28, ~7317=28...(29) HB3 LEU 100 - HA LEU 96 far 0 100 0 - 6.8-7.6 HG2 LYS 95 - HA LEU 122 far 0 87 0 - 7.2-8.5 HB3 LEU 100 - HA GLU 102 far 0 75 0 - 7.3-7.4 QB ALA 108 - HA GLU 102 far 0 74 0 - 7.4-8.8 HB2 LEU 42 - HA GLU 44 far 0 82 0 - 7.5-7.7 HB3 LEU 100 - HA LEU 122 far 0 89 0 - 7.5-8.4 HG3 LYS 95 - HA LEU 122 far 0 88 0 - 7.6-8.7 QB ALA 15 - HA LEU 96 far 0 100 0 - 9.2-37.9 QB ALA 109 - HA GLU 102 far 0 71 0 - 9.3-10.3 QB ALA 15 - HA GLU 102 far 0 75 0 - 9.6-37.2 Violated in 0 structures by 0.00 A. Peak 3057 from cnoeabs.peaks (2.23, 4.04, 58.64 ppm; 4.30 A): 4 out of 17 assignments used, quality = 1.00: * HB3 LEU 96 + HA LEU 96 OK 100 100 100 100 2.8-2.9 3.0=100 HB3 LEU 96 + HA LEU 122 OK 86 89 100 97 4.2-4.8 1.8/3067=25...(35) HB3 GLU 102 + HA GLU 102 OK 72 72 100 100 2.4-2.9 3.0=100 HB VAL 105 + HA GLU 102 OK 38 38 100 100 4.2-4.5 2.1/10086=95...(12) HB2 GLN 101 - HA GLU 102 poor 16 36 45 - 4.5-5.6 HB3 GLU 97 - HA LEU 96 far 0 83 0 - 6.3-6.6 HB3 GLN 127 - HA LEU 122 far 0 84 0 - 7.1-7.7 HB3 GLN 104 - HA GLU 102 far 0 65 0 - 7.1-7.6 HB3 GLU 97 - HA LEU 122 far 0 68 0 - 8.1-9.2 HB3 GLU 102 - HA LEU 96 far 0 99 0 - 8.1-10.5 HG2 GLN 68 - HA GLU 44 far 0 81 0 - 8.3-9.7 HB3 GLN 127 - HA LEU 96 far 0 97 0 - 8.7-9.7 HB3 GLU 128 - HA LEU 122 far 0 83 0 - 9.0-9.6 HB3 GLU 102 - HA LEU 122 far 0 87 0 - 9.2-11.4 HB3 GLU 128 - HA LEU 96 far 0 97 0 - 9.3-10.0 HB3 GLU 97 - HA GLU 102 far 0 55 0 - 9.5-11.0 HB2 GLN 68 - HA GLU 44 far 0 67 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 3058 from cnoeabs.peaks (1.40, 4.04, 58.64 ppm; 6.80 A): 8 out of 16 assignments used, quality = 1.00: * HG LEU 96 + HA LEU 96 OK 100 100 100 100 3.4-3.6 3.7=100 HG2 LYS 95 + HA LEU 96 OK 97 97 100 100 6.1-6.6 ~7316=37, ~7317=37...(28) HG3 LYS 95 + HA LEU 96 OK 95 96 100 99 5.8-6.7 ~7316=37, ~7317=37...(29) HG LEU 96 + HA LEU 122 OK 89 89 100 99 5.0-5.5 3.0/3067=46...(25) HB2 LEU 96 + HA LEU 96 OK 89 89 100 100 2.2-2.2 3.0=100 HB3 LEU 100 + HA LEU 96 OK 78 87 90 100 6.8-7.6 3.9/7388=91, 3240/5.0=61...(12) HB2 LEU 96 + HA LEU 122 OK 74 74 100 100 2.8-3.2 10337/3.9=42, 3067=41...(34) HB3 LEU 100 + HA GLU 102 OK 57 59 100 97 7.3-7.4 10048/4.8=78, ~7445=74...(4) HG2 LYS 95 - HA LEU 122 far 4 84 5 - 7.2-8.5 QB ALA 108 - HA GLU 102 far 0 66 0 - 7.4-8.8 HB2 LEU 42 - HA GLU 44 far 0 63 0 - 7.5-7.7 HB3 LEU 100 - HA LEU 122 far 0 72 0 - 7.5-8.4 HG3 LYS 95 - HA LEU 122 far 0 82 0 - 7.6-8.7 QB ALA 15 - HA LEU 96 far 0 92 0 - 9.2-37.9 QB ALA 109 - HA GLU 102 far 0 71 0 - 9.3-10.3 QB ALA 15 - HA GLU 102 far 0 63 0 - 9.6-37.2 Violated in 0 structures by 0.00 A. Peak 3059 from cnoeabs.peaks (0.75, 4.04, 58.64 ppm; 5.47 A): 6 out of 13 assignments used, quality = 1.00: * QD2 LEU 96 + HA LEU 96 OK 100 100 100 100 4.1-4.1 4.0=100 QG1 VAL 93 + HA LEU 96 OK 100 100 100 100 5.7-5.9 11432/2.9=84...(26) QD2 LEU 96 + HA LEU 122 OK 87 89 100 97 4.7-5.3 9989/3994=36...(18) QD2 LEU 43 + HA GLU 44 OK 80 80 100 100 5.2-5.7 11900=88, 6524/2.8=83...(13) QD1 LEU 96 + HA LEU 96 OK 76 76 100 100 2.8-3.5 4.0=100 QD1 LEU 96 + HA LEU 122 OK 58 62 100 95 2.8-3.5 3.2/3067=34, 2.1/3084=28...(20) QD2 LEU 103 - HA LEU 122 poor 12 86 25 57 5.6-7.0 3386/3.0=21...(8) HG12 ILE 129 - HA LEU 96 far 0 100 0 - 6.7-7.5 HG12 ILE 129 - HA LEU 122 far 0 89 0 - 6.8-7.9 QD2 LEU 103 - HA LEU 96 far 0 99 0 - 6.8-7.8 QD2 LEU 103 - HA GLU 102 far 0 71 0 - 7.0-7.0 QG1 VAL 93 - HA LEU 122 far 0 89 0 - 7.3-7.7 QD1 LEU 96 - HA GLU 102 far 0 49 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 3060 from cnoeabs.peaks (0.77, 4.04, 58.64 ppm; 5.35 A): 11 out of 27 assignments used, quality = 1.00: * QD1 LEU 96 + HA LEU 96 OK 100 100 100 100 2.8-3.5 4.0=100 QD2 LEU 122 + HA LEU 96 OK 91 92 100 99 1.8-4.8 10337/3.0=38, 3901=37...(28) QD1 LEU 96 + HA LEU 122 OK 88 89 100 98 2.8-3.5 9987/3994=38...(22) QG1 VAL 93 + HA LEU 96 OK 78 78 100 100 5.7-5.9 11432/2.9=56...(26) QD2 LEU 122 + HA LEU 122 OK 77 77 100 100 1.8-4.0 3.9=100 QD2 LEU 96 + HA LEU 96 OK 76 76 100 100 4.1-4.1 4.0=100 QD2 LEU 43 + HA GLU 44 OK 67 67 100 100 5.2-5.7 6524/2.8=72...(13) QD2 LEU 96 + HA LEU 122 OK 59 62 100 95 4.7-5.3 3.2/3067=33, 2.1/3100=31...(18) QD1 LEU 53 + HA LEU 122 OK 52 64 95 85 4.3-7.1 3907/3.6=39, ~11749=26...(12) QD2 LEU 49 + HA LEU 122 OK 38 57 100 67 3.8-5.3 11681/10397=28...(11) QD2 LEU 49 + HA LEU 96 OK 31 71 100 44 5.3-5.9 11681/11689=27...(7) QD1 LEU 103 - HA GLU 102 far 0 70 0 - 6.1-6.4 QD1 LEU 53 - HA LEU 96 far 0 78 0 - 6.4-8.4 QD2 LEU 122 - HA GLU 102 far 0 63 0 - 6.7-7.9 HG12 ILE 129 - HA LEU 96 far 0 78 0 - 6.7-7.5 HG12 ILE 129 - HA LEU 122 far 0 64 0 - 6.8-7.9 QG1 VAL 63 - HA GLU 102 far 0 69 0 - 6.8-7.7 QD1 LEU 103 - HA LEU 122 far 0 84 0 - 7.1-8.0 QG1 VAL 93 - HA LEU 122 far 0 64 0 - 7.3-7.7 QD1 LEU 103 - HA LEU 96 far 0 97 0 - 8.0-9.0 QD2 LEU 119 - HA LEU 122 far 0 48 0 - 8.1-8.8 QG1 VAL 63 - HA LEU 122 far 0 83 0 - 8.4-9.2 QG1 VAL 63 - HA LEU 96 far 0 97 0 - 8.6-9.3 QD2 LEU 119 - HA GLU 102 far 0 38 0 - 9.3-10.7 QD2 LEU 49 - HA GLU 44 far 0 51 0 - 9.4-10.0 QD1 LEU 96 - HA GLU 102 far 0 75 0 - 9.7-10.4 QD2 LEU 119 - HA LEU 96 far 0 60 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 3061 from cnoeabs.peaks (8.50, 4.04, 58.64 ppm; 5.22 A): 3 out of 10 assignments used, quality = 1.00: * H GLU 97 + HA LEU 96 OK 100 100 100 100 3.5-3.5 3.6=100 H LEU 100 + HA LEU 96 OK 94 95 100 100 4.2-4.7 7388=91, 3.4/7372=36...(18) H LEU 100 + HA LEU 122 OK 40 80 55 90 5.0-6.1 10026/3.8=37...(14) H GLU 97 - HA LEU 122 far 4 89 5 - 5.3-6.3 H LEU 100 - HA GLU 102 far 0 66 0 - 6.6-7.0 H HIS 4 - HA GLU 102 far 0 51 0 - 7.8-55.1 H HIS 5 - HA GLU 102 far 0 38 0 - 8.1-52.0 H HIS 5 - HA LEU 122 far 0 48 0 - 8.4-55.9 H HIS 5 - HA LEU 96 far 0 60 0 - 9.2-54.9 H HIS 4 - HA GLU 44 far 0 57 0 - 9.3-68.3 Violated in 0 structures by 0.00 A. Peak 3062 from cnoeabs.peaks (8.29, 4.04, 58.64 ppm; 4.65 A): 5 out of 13 assignments used, quality = 1.00: * H SER 99 + HA LEU 96 OK 99 100 100 99 3.6-4.0 3.4/7388=57, 7372=45...(19) H VAL 126 + HA LEU 96 OK 98 100 100 98 4.4-5.0 4021/11689=53...(19) H VAL 126 + HA LEU 122 OK 89 89 100 100 3.1-3.8 10405/3.0=62...(22) H LEU 96 + HA LEU 96 OK 89 89 100 100 2.8-2.9 2.9=100 H LEU 96 + HA LEU 122 OK 35 74 50 94 4.7-5.5 3.8/3067=23, 4.6/3100=19...(23) H SER 99 - HA LEU 122 far 4 89 5 - 4.6-5.9 H LEU 43 - HA GLU 44 far 0 81 0 - 5.5-5.5 H SER 99 - HA GLU 102 far 0 75 0 - 7.3-7.8 H LEU 49 - HA GLU 44 far 0 76 0 - 7.4-7.9 H GLU 40 - HA GLU 44 far 0 76 0 - 7.7-8.3 H LEU 49 - HA LEU 122 far 0 83 0 - 8.7-10.2 H LEU 69 - HA LEU 122 far 0 87 0 - 9.1-10.1 H LEU 69 - HA LEU 96 far 0 99 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 3063 from cnoeabs.peaks (3.76, 4.04, 58.64 ppm; 5.87 A): 4 out of 9 assignments used, quality = 1.00: HA GLU 97 + HA LEU 96 OK 100 100 100 100 4.7-4.7 5.0=100 * HB2 SER 99 + HA LEU 96 OK 100 100 100 100 2.9-4.1 4.5/7388=70, 3208=52...(16) HB2 SER 99 + HA LEU 122 OK 89 89 100 100 3.2-5.0 10022/4.3=50, 3208=50...(24) HA LEU 43 + HA GLU 44 OK 57 57 100 100 4.8-4.9 4.9=100 HA GLU 97 - HA LEU 122 poor 18 89 20 - 5.9-7.1 HB3 SER 130 - HA GLU 44 far 0 70 0 - 7.2-8.6 HB2 SER 99 - HA GLU 102 far 0 75 0 - 7.4-8.3 HA SER 130 - HA GLU 44 far 0 55 0 - 7.8-8.5 HA GLU 97 - HA GLU 102 far 0 74 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 3064 from cnoeabs.peaks (4.00, 4.04, 58.64 ppm; 4.89 A increased from 4.35 A): 4 out of 20 assignments used, quality = 1.00: * HB3 SER 99 + HA LEU 96 OK 97 100 100 97 4.3-5.1 3219/7388=51, 3214=50...(13) HA LYS 95 + HA LEU 96 OK 93 93 100 100 4.7-4.8 4.9=97, 11341/3.6=49...(19) HB3 SER 99 + HA LEU 122 OK 88 89 100 99 4.3-5.2 11702/3.8=59, 3214=50...(17) HA LEU 103 + HA GLU 102 OK 66 69 100 96 4.7-4.8 ~7469=41, ~3347=40...(10) HB3 SER 106 - HA GLU 102 poor 17 42 55 75 4.9-5.7 4.0/11781=51...(10) HB2 SER 124 - HA LEU 122 far 0 84 0 - 5.6-7.0 HB3 SER 124 - HA LEU 122 far 0 59 0 - 6.2-7.1 HA LYS 95 - HA LEU 122 far 0 79 0 - 6.3-7.4 HA LEU 119 - HA LEU 122 far 0 68 0 - 6.3-6.7 HB2 SER 124 - HA LEU 96 far 0 97 0 - 6.6-8.2 HB3 SER 99 - HA GLU 102 far 0 75 0 - 7.1-7.8 HB3 SER 124 - HA LEU 96 far 0 73 0 - 7.6-8.8 HA SER 50 - HA LEU 122 far 0 85 0 - 7.7-9.2 HB3 SER 51 - HA GLU 44 far 0 53 0 - 7.9-9.9 HA LEU 119 - HA LEU 96 far 0 83 0 - 8.1-8.8 HA LEU 103 - HA LEU 122 far 0 83 0 - 9.3-10.4 HA GLU 91 - HA LEU 96 far 0 71 0 - 9.5-10.3 HB2 SER 38 - HA GLU 44 far 0 78 0 - 9.8-10.4 HA LEU 119 - HA GLU 102 far 0 55 0 - 10.0-11.3 HA SER 60 - HA GLU 102 far 0 74 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 3066 from cnoeabs.peaks (8.27, 1.38, 41.04 ppm; 4.83 A): 2 out of 11 assignments used, quality = 1.00: * H LEU 96 + HB2 LEU 96 OK 100 100 100 100 3.1-3.4 3.8=100 H VAL 126 + HB2 LEU 96 OK 89 90 100 98 2.8-3.6 ~11452=37, ~11807=37...(18) H LEU 123 - HB2 LEU 96 far 0 92 0 - 5.6-6.4 H SER 99 - HB2 LEU 96 far 0 89 0 - 5.6-6.1 H SER 99 - HB3 LEU 100 far 0 71 0 - 5.8-6.2 H LEU 69 - HB2 LEU 96 far 0 73 0 - 7.8-8.2 H LEU 69 - HB3 LEU 100 far 0 57 0 - 8.0-8.4 H LEU 96 - HB3 LEU 100 far 0 87 0 - 8.5-9.0 H LEU 49 - HB2 LEU 96 far 0 63 0 - 9.0-9.5 H LEU 123 - HB3 LEU 100 far 0 75 0 - 9.2-10.6 H ASP 131 - HB2 LEU 96 far 0 100 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 3067 from cnoeabs.peaks (4.04, 1.38, 41.04 ppm; 5.38 A): 2 out of 14 assignments used, quality = 1.00: * HA LEU 96 + HB2 LEU 96 OK 100 100 100 100 2.2-2.2 3.0=100 HA LEU 122 + HB2 LEU 96 OK 98 99 100 100 2.8-3.2 3.9/10337=39...(34) HA ALA 92 - HB2 LEU 96 far 0 99 0 - 6.1-7.0 HA LYS 95 - HB2 LEU 96 far 0 78 0 - 6.2-6.4 HA LEU 96 - HB3 LEU 100 far 0 87 0 - 6.8-7.6 HA LEU 103 - HB3 LEU 100 far 0 55 0 - 7.0-7.3 HA GLU 102 - HB3 LEU 100 far 0 82 0 - 7.3-7.4 HA LEU 122 - HB3 LEU 100 far 0 83 0 - 7.5-8.4 HB3 SER 124 - HB2 LEU 96 far 0 96 0 - 7.8-8.8 HA LEU 119 - HB3 LEU 100 far 0 73 0 - 8.2-9.6 HB THR 65 - HB3 LEU 100 far 0 57 0 - 8.3-8.9 HA LEU 119 - HB2 LEU 96 far 0 90 0 - 8.7-9.5 HB THR 65 - HB2 LEU 96 far 0 73 0 - 8.9-9.7 HA LYS 95 - HB3 LEU 100 far 0 61 0 - 9.4-9.9 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): 1 out of 13 assignments used, quality = 1.00: * HB3 LEU 96 + HB2 LEU 96 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 104 - HB3 LEU 100 far 11 76 15 - 5.0-5.9 HB3 GLU 97 - HB3 LEU 100 far 7 65 10 - 5.2-6.0 HB2 GLN 101 - HB3 LEU 100 far 2 43 5 - 5.0-5.9 HB3 GLU 102 - HB3 LEU 100 far 0 84 0 - 6.8-8.5 HB3 GLU 97 - HB2 LEU 96 far 0 83 0 - 6.8-7.4 HB3 GLN 127 - HB2 LEU 96 far 0 97 0 - 7.4-8.2 HB3 LEU 96 - HB3 LEU 100 far 0 87 0 - 8.1-8.9 HB3 GLU 128 - HB2 LEU 96 far 0 97 0 - 8.3-8.9 HG2 GLN 68 - HB3 LEU 100 far 0 85 0 - 9.0-11.0 HG2 GLN 68 - HB2 LEU 96 far 0 100 0 - 9.1-10.5 HB2 GLN 68 - HB3 LEU 100 far 0 71 0 - 9.4-10.9 HB VAL 105 - HB3 LEU 100 far 0 46 0 - 9.4-10.0 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): 4 out of 10 assignments used, quality = 1.00: * QD2 LEU 96 + HB2 LEU 96 OK 100 100 100 100 2.5-2.9 3.2=100 QD1 LEU 96 + HB2 LEU 96 OK 76 76 100 100 1.9-2.1 3.2=100 QD2 LEU 103 + HB3 LEU 100 OK 61 83 75 97 4.4-4.9 11832/9398=39...(30) QD1 LEU 96 + HB3 LEU 100 OK 41 59 75 92 4.5-5.2 ~11918=32, ~3268=19...(18) HG12 ILE 129 - HB2 LEU 96 far 15 100 15 - 4.8-5.9 QG1 VAL 93 - HB2 LEU 96 far 0 100 0 - 4.9-5.3 QD2 LEU 96 - HB3 LEU 100 far 0 87 0 - 6.5-7.3 QD2 LEU 103 - HB2 LEU 96 far 0 99 0 - 7.4-8.3 QG1 VAL 93 - HB3 LEU 100 far 0 87 0 - 8.0-8.5 QD2 LEU 43 - HB2 LEU 96 far 0 99 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 3072 from cnoeabs.peaks (0.77, 1.38, 41.04 ppm; 4.43 A): 6 out of 19 assignments used, quality = 1.00: * QD1 LEU 96 + HB2 LEU 96 OK 100 100 100 100 1.9-2.1 3.2=100 QG1 VAL 63 + HB3 LEU 100 OK 80 80 100 100 3.2-3.9 10964=93, 10974/3.2=72...(25) QD2 LEU 122 + HB2 LEU 96 OK 77 92 85 99 2.7-5.5 10337=41, 3901/3.0=29...(43) QD2 LEU 96 + HB2 LEU 96 OK 76 76 100 100 2.5-2.9 3.2=100 QD1 LEU 96 + HB3 LEU 100 OK 76 87 90 97 4.5-5.2 ~11918=35, 11388/3.2=30...(19) QD2 LEU 122 + HB3 LEU 100 OK 74 75 100 100 4.1-5.0 ~9487=48, ~9487=34...(38) HG12 ILE 129 - HB2 LEU 96 poor 20 78 25 - 4.8-5.9 QG1 VAL 93 - HB2 LEU 96 poor 20 78 25 - 4.9-5.3 QD2 LEU 49 - HB2 LEU 96 poor 15 71 100 21 4.4-4.8 10407/11690=8...(6) QD1 LEU 53 - HB2 LEU 96 far 0 78 0 - 5.9-7.9 QD2 LEU 49 - HB3 LEU 100 far 0 55 0 - 6.0-6.6 QD1 LEU 103 - HB3 LEU 100 far 0 81 0 - 6.5-6.9 QD2 LEU 96 - HB3 LEU 100 far 0 59 0 - 6.5-7.3 QG1 VAL 93 - HB3 LEU 100 far 0 61 0 - 8.0-8.5 QD2 LEU 119 - HB3 LEU 100 far 0 46 0 - 8.2-10.0 QD1 LEU 53 - HB3 LEU 100 far 0 61 0 - 8.3-9.9 QG1 VAL 63 - HB2 LEU 96 far 0 97 0 - 8.9-9.6 QD1 LEU 103 - HB2 LEU 96 far 0 97 0 - 9.1-9.9 QD2 LEU 43 - HB2 LEU 96 far 0 89 0 - 9.9-10.8 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 4 assignments used, quality = 1.00: * H GLU 97 + HB2 LEU 96 OK 100 100 100 100 4.2-4.3 4.4=100 H LEU 100 + HB2 LEU 96 OK 94 95 100 100 5.7-6.3 7388/3.0=89, 3106/3.2=47...(22) H GLU 97 + HB3 LEU 100 OK 87 87 100 100 6.5-7.0 ~3115=94, ~3115=91...(21) H LEU 100 + HB3 LEU 100 OK 78 78 100 100 3.5-3.6 3.9=100 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 2.1-2.5 2910=100, 10461/10492=96...(34) Violated in 0 structures by 0.00 A. Peak 3075 from cnoeabs.peaks (8.27, 2.23, 41.04 ppm; 5.00 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.0-2.1 3.8=100 H VAL 126 + HB3 LEU 96 OK 90 90 100 100 4.1-4.8 4.7/11655=54...(22) H SER 99 - HB3 LEU 96 far 0 89 0 - 5.9-6.3 H LEU 123 - HB3 LEU 96 far 0 92 0 - 7.2-8.1 H LEU 69 - HB3 LEU 96 far 0 73 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 3076 from cnoeabs.peaks (4.04, 2.23, 41.04 ppm; 6.80 A): 4 out of 7 assignments used, quality = 1.00: * HA LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.8-2.9 3.0=100 HA ALA 92 + HB3 LEU 96 OK 99 99 100 100 5.1-5.8 9942/10492=87...(18) HA LEU 122 + HB3 LEU 96 OK 99 99 100 100 4.2-4.8 3067/1.8=49...(36) HA LYS 95 + HB3 LEU 96 OK 78 78 100 100 5.5-5.5 2.9/9975=91...(24) HB2 SER 74 - HB3 LEU 96 far 0 68 0 - 8.7-10.8 HB3 SER 124 - HB3 LEU 96 far 0 96 0 - 8.8-10.1 HB3 SER 74 - HB3 LEU 96 far 0 65 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 3077 from cnoeabs.peaks (1.38, 2.23, 41.04 ppm; 4.49 A): 2 out of 7 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 2.6-2.8 3.0=100 HG3 LYS 95 - HB3 LEU 96 far 0 100 0 - 5.2-7.1 HG2 LYS 95 - HB3 LEU 96 far 0 99 0 - 5.5-7.2 QB ALA 15 - HB3 LEU 96 far 0 100 0 - 7.8-36.7 HB3 LEU 100 - HB3 LEU 96 far 0 100 0 - 8.1-8.9 QB ALA 12 - HB3 LEU 96 far 0 81 0 - 9.8-31.5 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): 2 out of 6 assignments used, quality = 1.00: * HG LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.6-2.8 3.0=100 HB2 LEU 96 + HB3 LEU 96 OK 89 89 100 100 1.8-1.8 1.8=100 HG2 LYS 95 - HB3 LEU 96 far 5 97 5 - 5.5-7.2 HG3 LYS 95 - HB3 LEU 96 far 5 96 5 - 5.2-7.1 QB ALA 15 - HB3 LEU 96 far 0 92 0 - 7.8-36.7 HB3 LEU 100 - HB3 LEU 96 far 0 87 0 - 8.1-8.9 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 6 assignments used, quality = 1.00: * QD2 LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.0-2.1 3.2=100 QG1 VAL 93 + HB3 LEU 96 OK 100 100 100 100 3.6-4.0 9973=74, 9974/3.0=73...(27) QD1 LEU 96 + HB3 LEU 96 OK 76 76 100 100 2.9-3.2 3.2=100 HG12 ILE 129 + HB3 LEU 96 OK 60 100 60 99 4.7-5.4 2.1/10492=87...(23) QD2 LEU 103 - HB3 LEU 96 far 0 99 0 - 8.6-9.5 QD2 LEU 43 - HB3 LEU 96 far 0 99 0 - 9.9-10.8 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 9 assignments used, quality = 1.00: * QD1 LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.9-3.2 3.2=100 QG1 VAL 93 + HB3 LEU 96 OK 78 78 100 100 3.6-4.0 2.1/9971=65, 9974/3.0=59...(27) HG12 ILE 129 + HB3 LEU 96 OK 78 78 100 100 4.7-5.4 2.1/10492=97...(23) QD2 LEU 122 + HB3 LEU 96 OK 78 92 85 100 3.8-6.6 10337/1.8=41...(44) QD2 LEU 96 + HB3 LEU 96 OK 76 76 100 100 2.0-2.1 3.2=100 QD2 LEU 49 - HB3 LEU 96 far 7 71 10 - 5.6-6.1 QD1 LEU 53 - HB3 LEU 96 far 0 78 0 - 7.4-9.3 QG1 VAL 63 - HB3 LEU 96 far 0 97 0 - 9.7-10.3 QD2 LEU 43 - HB3 LEU 96 far 0 89 0 - 9.9-10.8 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 2 assignments used, quality = 1.00: * H GLU 97 + HB3 LEU 96 OK 100 100 100 100 3.2-3.5 4.4=100 H LEU 100 + HB3 LEU 96 OK 94 95 100 100 6.3-6.8 7388/3.0=87, 3106/3.2=46...(21) Violated in 0 structures by 0.00 A. Peak 3083 from cnoeabs.peaks (8.27, 1.40, 27.00 ppm; 4.75 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 96 + HG LEU 96 OK 100 100 100 100 3.4-3.9 5.0=85, 11083/11106=59...(25) H SER 99 - HG LEU 96 far 4 89 5 - 5.1-6.1 H VAL 126 - HG LEU 96 far 0 90 0 - 5.7-6.3 H LEU 69 - HG LEU 96 far 0 73 0 - 6.3-6.9 H LEU 123 - HG LEU 96 far 0 92 0 - 7.9-8.7 H LEU 49 - HG LEU 96 far 0 63 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 3084 from cnoeabs.peaks (4.04, 1.40, 27.00 ppm; 4.42 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 96 + HG LEU 96 OK 100 100 100 100 3.4-3.6 3.7=100 HA LEU 122 - HG LEU 96 far 0 99 0 - 5.0-5.5 HA LYS 95 - HG LEU 96 far 0 78 0 - 6.2-6.6 HA ALA 92 - HG LEU 96 far 0 99 0 - 7.5-8.3 HB2 SER 74 - HG LEU 96 far 0 68 0 - 7.8-9.6 HB3 SER 74 - HG LEU 96 far 0 65 0 - 8.4-10.3 HB THR 65 - HG LEU 96 far 0 73 0 - 9.1-9.8 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 6 assignments used, quality = 1.00: * HB3 LEU 96 + HG LEU 96 OK 100 100 100 100 2.6-2.8 3.0=100 HB3 GLU 97 + HG LEU 96 OK 83 83 100 100 4.0-5.1 1.8/11363=76...(32) HG2 GLN 68 - HG LEU 96 far 0 100 0 - 8.0-9.5 HB2 GLN 101 - HG LEU 96 far 0 57 0 - 9.2-10.5 HB3 GLU 102 - HG LEU 96 far 0 99 0 - 9.4-12.3 HB2 GLN 68 - HG LEU 96 far 0 89 0 - 9.5-10.2 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 5 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 3.4-3.9 9974=44, 9973/3.0=30...(35) 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 - 5.7-7.6 QD2 LEU 103 - HG LEU 96 far 0 99 0 - 7.4-8.4 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 9 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 78 100 100 3.4-3.9 9974=44, ~11806=30...(34) 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 68 92 80 93 3.4-6.0 10337=32, 10337/3.0=26...(30) QD2 LEU 49 - HG LEU 96 far 0 71 0 - 4.9-5.4 HG12 ILE 129 - HG LEU 96 far 0 78 0 - 5.7-7.6 QD1 LEU 53 - HG LEU 96 far 0 78 0 - 7.4-9.3 QG1 VAL 63 - HG LEU 96 far 0 97 0 - 7.7-8.4 QD1 LEU 103 - HG LEU 96 far 0 97 0 - 9.3-10.2 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 2.5-3.0 3098/2.1=98...(28) H LEU 100 + HG LEU 96 OK 94 95 100 99 4.7-5.5 7388/3.7=65...(20) 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 8 assignments used, quality = 1.00: * H LEU 96 + QD2 LEU 96 OK 100 100 100 100 3.2-3.9 7330/3098=60...(25) H VAL 126 + QD2 LEU 96 OK 85 90 95 99 4.0-5.0 2.9/11807=54...(23) H LEU 69 + QD2 LEU 96 OK 50 73 70 98 4.4-5.3 3.7/11805=64...(11) H SER 99 - QD2 LEU 96 far 0 89 0 - 6.0-6.9 H LEU 123 - QD2 LEU 96 far 0 92 0 - 7.0-7.9 H LEU 49 - QD2 LEU 96 far 0 63 0 - 7.0-8.6 H ASP 131 - QD2 LEU 96 far 0 100 0 - 7.9-8.9 H LEU 43 - QD2 LEU 96 far 0 95 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 3092 from cnoeabs.peaks (4.04, 0.75, 26.15 ppm; 4.28 A): 2 out of 9 assignments used, quality = 1.00: * HA LEU 96 + QD2 LEU 96 OK 100 100 100 100 4.1-4.1 4.0=100 HA LEU 122 + QD2 LEU 96 OK 36 99 40 90 4.7-5.3 3100/2.1=31...(18) HA ALA 92 - QD2 LEU 96 far 0 99 0 - 5.7-6.5 HA LYS 95 - QD2 LEU 96 far 0 78 0 - 5.9-6.7 HB2 SER 74 - QD2 LEU 96 far 0 68 0 - 6.1-7.6 HB3 SER 74 - QD2 LEU 96 far 0 65 0 - 6.6-8.1 HB THR 65 - QD2 LEU 96 far 0 73 0 - 7.2-8.6 HB3 SER 124 - QD2 LEU 96 far 0 96 0 - 8.9-9.6 HA LEU 119 - QD2 LEU 96 far 0 90 0 - 9.4-10.3 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 9 assignments used, quality = 1.00: * HB2 LEU 96 + QD2 LEU 96 OK 100 100 100 100 2.5-2.9 3.2=100 HG LEU 96 + QD2 LEU 96 OK 89 89 100 100 2.1-2.1 2.1=100 QB ALA 15 - QD2 LEU 96 far 0 100 0 - 5.5-29.5 HG3 LYS 95 - QD2 LEU 96 far 0 100 0 - 6.3-8.1 HG2 LYS 95 - QD2 LEU 96 far 0 99 0 - 6.5-8.2 HB3 LEU 100 - QD2 LEU 96 far 0 100 0 - 6.5-7.3 HB2 LEU 42 - QD2 LEU 96 far 0 100 0 - 8.2-8.8 QB ALA 16 - QD2 LEU 96 far 0 73 0 - 8.4-32.0 QB ALA 12 - QD2 LEU 96 far 0 81 0 - 9.4-25.5 Violated in 0 structures by 0.00 A. Peak 3094 from cnoeabs.peaks (2.23, 0.75, 26.15 ppm; 3.90 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LEU 96 + QD2 LEU 96 OK 100 100 100 100 2.0-2.1 3.2=100 HB3 GLU 97 - QD2 LEU 96 far 4 83 5 - 4.1-5.8 HG2 GLN 68 - QD2 LEU 96 far 0 100 0 - 5.7-6.7 HB2 GLN 68 - QD2 LEU 96 far 0 89 0 - 7.4-8.2 HB3 GLN 127 - QD2 LEU 96 far 0 97 0 - 7.4-8.5 HB3 GLU 128 - QD2 LEU 96 far 0 97 0 - 7.5-8.4 HG2 GLU 91 - QD2 LEU 96 far 0 98 0 - 8.4-10.0 HB2 GLN 101 - QD2 LEU 96 far 0 57 0 - 9.5-10.7 HB3 GLU 102 - QD2 LEU 96 far 0 99 0 - 9.7-12.2 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 9 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 2.5-2.9 3.2=100 QB ALA 15 - QD2 LEU 96 far 0 92 0 - 5.5-29.5 HG3 LYS 95 - QD2 LEU 96 far 0 96 0 - 6.3-8.1 HG2 LYS 95 - QD2 LEU 96 far 0 97 0 - 6.5-8.2 HB3 LEU 100 - QD2 LEU 96 far 0 87 0 - 6.5-7.3 HB2 LEU 42 - QD2 LEU 96 far 0 85 0 - 8.2-8.8 QB ALA 16 - QD2 LEU 96 far 0 99 0 - 8.4-32.0 HG2 LYS 86 - QD2 LEU 96 far 0 76 0 - 9.9-10.9 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): 1 out of 3 assignments used, quality = 1.00: * H GLU 97 + QD2 LEU 96 OK 100 100 100 100 2.9-4.0 2.8/11809=63...(20) H LEU 100 - QD2 LEU 96 far 0 95 0 - 5.9-6.5 H VAL 132 - QD2 LEU 96 far 0 63 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 3099 from cnoeabs.peaks (8.27, 0.77, 23.84 ppm; 3.86 A): 2 out of 13 assignments used, quality = 1.00: * H LEU 96 + QD1 LEU 96 OK 98 100 100 98 4.3-4.4 4.6=57, 3083/2.1=49...(15) H VAL 126 + QD1 LEU 96 OK 89 90 100 98 3.6-3.9 2.9/11452=45...(22) H LEU 69 - QD1 LEU 96 poor 18 73 30 83 4.2-4.6 ~11811=29, 4.9/11061=18...(13) H SER 99 - QD1 LEU 96 far 0 89 0 - 4.9-5.6 H LEU 123 - QD1 LEU 96 far 0 92 0 - 5.1-6.0 H GLY 111 - QD1 LEU 103 far 0 36 0 - 5.5-8.2 H ALA 110 - QD1 LEU 103 far 0 40 0 - 5.7-8.5 H LEU 49 - QD1 LEU 96 far 0 63 0 - 6.3-6.7 H LEU 123 - QD1 LEU 103 far 0 58 0 - 6.7-7.6 H SER 99 - QD1 LEU 103 far 0 55 0 - 7.0-8.6 H ASP 131 - QD1 LEU 96 far 0 100 0 - 9.3-9.9 H VAL 126 - QD1 LEU 103 far 0 57 0 - 9.5-10.3 H LEU 43 - QD1 LEU 96 far 0 95 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 3100 from cnoeabs.peaks (4.04, 0.77, 23.84 ppm; 3.37 A): 4 out of 18 assignments used, quality = 1.00: * HA LEU 96 + QD1 LEU 96 OK 96 100 100 96 2.8-3.5 4.0=61, 2.9/3099=22...(23) HA LEU 122 + QD1 LEU 96 OK 77 99 100 78 2.8-3.5 3994/9987=16, 3861=15...(20) HA LEU 103 + QD1 LEU 103 OK 40 41 100 97 2.0-2.3 4.1=57, 3368/2.1=30...(15) HA LEU 119 + QD1 LEU 103 OK 34 57 95 63 3.0-4.0 3759=28, 3405/2.1=13...(9) HB THR 65 - QD1 LEU 96 far 0 73 0 - 5.7-6.3 HA GLU 102 - QD1 LEU 103 far 0 65 0 - 6.1-6.4 HA LYS 95 - QD1 LEU 96 far 0 78 0 - 6.6-7.0 HA LEU 119 - QD1 LEU 96 far 0 90 0 - 6.9-8.0 HA LEU 122 - QD1 LEU 103 far 0 66 0 - 7.1-8.0 HA ALA 92 - QD1 LEU 96 far 0 99 0 - 7.2-7.9 HB THR 65 - QD1 LEU 103 far 0 43 0 - 7.7-8.5 HB2 SER 74 - QD1 LEU 96 far 0 68 0 - 7.9-9.4 HA LEU 96 - QD1 LEU 103 far 0 69 0 - 8.0-9.0 HB3 SER 124 - QD1 LEU 96 far 0 96 0 - 8.1-8.7 HB3 SER 74 - QD1 LEU 96 far 0 65 0 - 8.2-10.0 HA LEU 103 - QD1 LEU 96 far 0 71 0 - 8.5-9.6 HA GLU 102 - QD1 LEU 96 far 0 98 0 - 9.7-10.4 HB3 SER 124 - QD1 LEU 103 far 0 62 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 3101 from cnoeabs.peaks (1.38, 0.77, 23.84 ppm; 3.38 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LEU 96 + QD1 LEU 96 OK 100 100 100 100 1.9-2.1 3.2=100 HG LEU 96 + QD1 LEU 96 OK 89 89 100 100 2.1-2.1 2.1=100 QB ALA 109 - QD1 LEU 103 far 0 66 0 - 4.0-4.9 HB3 LEU 100 - QD1 LEU 96 far 0 100 0 - 4.5-5.2 QB ALA 108 - QD1 LEU 103 far 0 68 0 - 5.8-6.3 HB3 LEU 100 - QD1 LEU 103 far 0 69 0 - 6.5-6.9 QB ALA 15 - QD1 LEU 96 far 0 100 0 - 6.7-30.2 QB ALA 110 - QD1 LEU 103 far 0 69 0 - 7.1-8.4 HG3 LYS 95 - QD1 LEU 96 far 0 100 0 - 7.2-8.4 HG2 LYS 95 - QD1 LEU 96 far 0 99 0 - 7.5-8.4 HB2 LEU 96 - QD1 LEU 103 far 0 69 0 - 9.1-9.9 HG LEU 96 - QD1 LEU 103 far 0 55 0 - 9.3-10.2 HB2 LEU 42 - QD1 LEU 96 far 0 100 0 - 9.4-10.3 QB ALA 16 - QD1 LEU 96 far 0 73 0 - 9.4-33.0 Violated in 0 structures by 0.00 A. Peak 3102 from cnoeabs.peaks (2.23, 0.77, 23.84 ppm; 3.87 A): 1 out of 13 assignments used, quality = 1.00: * HB3 LEU 96 + QD1 LEU 96 OK 100 100 100 100 2.9-3.2 3.2=100 HB3 GLU 97 - QD1 LEU 96 far 0 83 0 - 4.9-5.8 HB3 GLN 104 - QD1 LEU 103 far 0 59 0 - 5.2-6.0 HG2 GLN 68 - QD1 LEU 96 far 0 100 0 - 5.5-6.9 HB3 GLU 102 - QD1 LEU 103 far 0 67 0 - 5.7-6.1 HB2 GLN 68 - QD1 LEU 96 far 0 89 0 - 7.0-7.9 HB3 GLN 127 - QD1 LEU 96 far 0 97 0 - 7.3-7.7 HB VAL 105 - QD1 LEU 103 far 0 34 0 - 7.5-8.0 HB3 GLU 102 - QD1 LEU 96 far 0 99 0 - 8.1-10.2 HB2 GLN 101 - QD1 LEU 96 far 0 57 0 - 8.3-9.2 HB3 GLN 104 - QD1 LEU 96 far 0 93 0 - 8.3-9.3 HB3 GLU 128 - QD1 LEU 96 far 0 97 0 - 8.6-9.2 HB2 GLN 101 - QD1 LEU 103 far 0 33 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 3103 from cnoeabs.peaks (1.40, 0.77, 23.84 ppm; 3.40 A): 2 out of 14 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 1.9-2.1 3.2=100 QB ALA 109 - QD1 LEU 103 far 0 65 0 - 4.0-4.9 HB3 LEU 100 - QD1 LEU 96 far 0 87 0 - 4.5-5.2 QB ALA 108 - QD1 LEU 103 far 0 61 0 - 5.8-6.3 HB3 LEU 100 - QD1 LEU 103 far 0 53 0 - 6.5-6.9 QB ALA 15 - QD1 LEU 96 far 0 92 0 - 6.7-30.2 QB ALA 110 - QD1 LEU 103 far 0 58 0 - 7.1-8.4 HG3 LYS 95 - QD1 LEU 96 far 0 96 0 - 7.2-8.4 HG2 LYS 95 - QD1 LEU 96 far 0 97 0 - 7.5-8.4 HB2 LEU 96 - QD1 LEU 103 far 0 55 0 - 9.1-9.9 HG LEU 96 - QD1 LEU 103 far 0 69 0 - 9.3-10.2 HB2 LEU 42 - QD1 LEU 96 far 0 85 0 - 9.4-10.3 QB ALA 16 - QD1 LEU 96 far 0 99 0 - 9.4-33.0 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 6 assignments used, quality = 1.00: * H GLU 97 + QD1 LEU 96 OK 100 100 100 100 3.8-4.2 3098/2.1=83, 7330/4.6=56...(20) H LEU 100 + QD1 LEU 96 OK 88 95 100 93 4.0-4.7 7388/4.0=43, 3090/2.1=25...(19) H LEU 100 - QD1 LEU 103 far 0 61 0 - 6.1-7.1 H HIS 5 - QD1 LEU 103 far 0 34 0 - 8.6-47.8 H GLU 97 - QD1 LEU 103 far 0 69 0 - 9.7-10.7 H HIS 4 - QD1 LEU 103 far 0 47 0 - 9.9-47.8 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 2.9-2.9 2.8=100 H LEU 100 + HA GLU 97 OK 94 95 100 100 3.1-3.8 3.9/3115=59...(20) 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 2.3-2.9 3.0=100 HB3 LEU 69 - HA GLU 97 far 0 65 0 - 6.7-7.4 Violated in 0 structures by 0.00 A. Peak 3110 from cnoeabs.peaks (2.21, 3.76, 59.92 ppm; 3.65 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 97 + HA GLU 97 OK 100 100 100 100 2.2-2.7 3.0=100 HB3 LEU 96 - HA GLU 97 far 0 83 0 - 5.0-5.3 HB2 GLN 101 - HA GLU 97 far 0 97 0 - 6.2-7.5 HB3 GLU 102 - HA GLU 97 far 0 95 0 - 7.6-10.3 HB3 GLN 104 - HA GLU 97 far 0 99 0 - 9.1-10.1 HG2 GLN 68 - HA GLU 97 far 0 92 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 3111 from cnoeabs.peaks (2.27, 3.76, 59.92 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 97 + HA GLU 97 OK 100 100 100 100 3.0-3.8 3.8=100 HB3 GLN 101 - HA GLU 97 far 0 60 0 - 5.1-7.1 Violated in 0 structures by 0.00 A. Peak 3112 from cnoeabs.peaks (2.42, 3.76, 59.92 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 97 + HA GLU 97 OK 100 100 100 100 3.6-3.7 3.8=100 HG2 GLN 101 - HA GLU 97 far 5 100 5 - 4.2-8.2 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 3.1-3.8 7397/3115=58...(20) H GLU 97 + HA GLU 97 OK 95 95 100 100 2.9-2.9 2.8=100 H LEU 70 - HA GLU 97 far 0 78 0 - 5.8-6.2 Violated in 0 structures by 0.00 A. Peak 3115 from cnoeabs.peaks (1.82, 3.76, 59.92 ppm; 4.26 A): 1 out of 4 assignments used, quality = 0.99: * HB2 LEU 100 + HA GLU 97 OK 99 100 100 99 2.1-2.7 3.2/10036=65...(18) HB3 LEU 122 - HA GLU 97 far 0 63 0 - 5.0-8.3 HB3 LEU 103 - HA GLU 97 far 0 60 0 - 7.1-7.9 HB VAL 93 - HA GLU 97 far 0 99 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 3116 from cnoeabs.peaks (1.38, 3.76, 59.92 ppm; 4.38 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 100 + HA GLU 97 OK 100 100 100 100 3.7-4.3 1.8/3115=88...(23) HG LEU 96 + HA GLU 97 OK 87 87 100 100 2.8-3.1 11106/11090=70...(32) HB2 LEU 96 - HA GLU 97 far 0 100 0 - 5.3-5.5 QB ALA 15 - HA GLU 97 far 0 100 0 - 6.3-34.4 HG3 LYS 95 - HA GLU 97 far 0 99 0 - 8.3-9.3 HG2 LYS 95 - HA GLU 97 far 0 99 0 - 8.5-9.7 QB ALA 16 - HA GLU 97 far 0 71 0 - 8.5-37.7 Violated in 0 structures by 0.00 A. Peak 3117 from cnoeabs.peaks (4.23, 2.14, 28.66 ppm; 4.67 A increased from 4.40 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 94 + HB2 GLU 97 OK 100 100 100 100 3.9-4.6 2936=99, 11457/2.9=79...(11) HA HIS 67 - HB2 GLU 97 far 5 92 5 - 5.3-8.0 HA SER 99 - HB2 GLU 97 far 0 92 0 - 7.4-8.7 Violated in 0 structures by 0.00 A. Peak 3118 from cnoeabs.peaks (8.50, 2.14, 28.66 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 97 + HB2 GLU 97 OK 100 100 100 100 3.0-3.2 7345=100, 7348/2.9=58...(12) H LEU 100 - HB2 GLU 97 far 0 95 0 - 5.2-5.8 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 2.3-2.9 3.0=100 HB2 SER 99 - HB2 GLU 97 far 0 100 0 - 6.9-7.8 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): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 97 + HB2 GLU 97 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 96 - HB2 GLU 97 far 0 83 0 - 5.3-6.5 HB2 GLN 101 - HB2 GLU 97 far 0 97 0 - 6.6-8.7 HB3 GLU 102 - HB2 GLU 97 far 0 95 0 - 8.1-12.0 HG2 GLN 68 - HB2 GLU 97 far 0 92 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 3122 from cnoeabs.peaks (2.27, 2.14, 28.66 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 97 + HB2 GLU 97 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 GLN 101 - HB2 GLU 97 far 0 60 0 - 5.0-8.0 Violated in 0 structures by 0.00 A. Peak 3123 from cnoeabs.peaks (2.42, 2.14, 28.66 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 97 + HB2 GLU 97 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 GLN 101 - HB2 GLU 97 far 0 100 0 - 5.0-9.4 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 2.8-4.2 7358=100, 7359/1.8=82...(15) Violated in 0 structures by 0.00 A. Peak 3125 from cnoeabs.peaks (4.23, 2.21, 28.66 ppm; 4.72 A increased from 4.45 A): 4 out of 8 assignments used, quality = 1.00: * HA SER 94 + HB3 GLU 97 OK 100 100 100 100 4.5-4.9 11457/2.9=81...(10) HA SER 99 + HB3 GLU 102 OK 70 70 100 100 2.5-4.6 3207=80, 3206/1.8=72...(11) HA SER 124 + HB3 GLU 128 OK 30 72 50 83 5.1-6.1 4.9/3987=48, 7838/3.6=46...(6) HA ARG 84 + HB2 GLN 82 OK 23 66 35 100 5.1-6.0 2.8/9778=72...(13) HA HIS 67 - HB3 GLU 97 far 0 92 0 - 5.6-7.0 HA SER 99 - HB3 GLU 97 far 0 92 0 - 7.4-8.5 HA ALA 88 - HB3 GLU 128 far 0 38 0 - 7.7-8.6 HA ALA 88 - HB2 GLN 82 far 0 39 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 3126 from cnoeabs.peaks (8.50, 2.21, 28.66 ppm; 4.05 A): 1 out of 11 assignments used, quality = 1.00: * H GLU 97 + HB3 GLU 97 OK 100 100 100 100 3.4-3.5 4.0=100 H LEU 100 - HB3 GLU 102 far 0 73 0 - 4.8-7.1 H LEU 100 - HB3 GLU 97 far 0 95 0 - 4.9-5.7 H SER 9 - HB3 GLU 128 far 0 68 0 - 5.1-52.0 H VAL 132 - HB3 GLU 128 far 0 40 0 - 5.3-6.1 H HIS 5 - HB3 GLU 128 far 0 38 0 - 6.9-64.6 H HIS 4 - HB3 GLU 102 far 0 57 0 - 7.3-56.7 H HIS 5 - HB3 GLU 102 far 0 42 0 - 8.2-53.6 H GLU 97 - HB3 GLU 102 far 0 82 0 - 8.5-11.1 H VAL 132 - HB2 GLN 82 far 0 41 0 - 8.9-11.2 H SER 9 - HB3 GLU 97 far 0 96 0 - 9.8-41.8 Violated in 0 structures by 0.00 A. Peak 3127 from cnoeabs.peaks (3.76, 2.21, 28.66 ppm; 3.96 A): 1 out of 8 assignments used, quality = 1.00: * HA GLU 97 + HB3 GLU 97 OK 100 100 100 100 2.2-2.7 3.0=100 HA THR 83 - HB2 GLN 82 far 0 64 0 - 4.8-5.1 HB2 SER 99 - HB3 GLU 102 far 0 81 0 - 5.0-7.4 HA VAL 133 - HB2 GLN 82 far 0 76 0 - 5.6-8.6 HB2 SER 99 - HB3 GLU 97 far 0 100 0 - 6.7-8.5 HB3 SER 130 - HB3 GLU 128 far 0 68 0 - 7.0-7.7 HA GLU 97 - HB3 GLU 102 far 0 82 0 - 7.6-10.3 HA SER 130 - HB3 GLU 128 far 0 55 0 - 8.3-8.5 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 - 6.7-9.7 HB3 LEU 69 - HB3 GLU 97 far 0 65 0 - 7.4-9.2 HB2 GLU 97 - HB3 GLU 102 far 0 82 0 - 8.1-12.0 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): 1 out of 7 assignments used, quality = 1.00: * HG2 GLU 97 + HB3 GLU 97 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 GLN 101 - HB3 GLU 97 lone 4 60 50 13 4.6-6.5 3157/3156=13 HB3 GLN 101 - HB3 GLU 102 far 0 42 0 - 5.0-7.3 HB VAL 105 - HB3 GLU 102 far 0 80 0 - 6.0-7.3 HB2 PRO 81 - HB2 GLN 82 far 0 64 0 - 6.7-7.1 HB VAL 132 - HB2 GLN 82 far 0 73 0 - 6.9-9.4 HB VAL 132 - HB3 GLU 128 far 0 71 0 - 6.9-8.1 Violated in 0 structures by 0.00 A. Peak 3131 from cnoeabs.peaks (2.42, 2.21, 28.66 ppm; 3.66 A): 4 out of 7 assignments used, quality = 1.00: * HG3 GLU 97 + HB3 GLU 97 OK 100 100 100 100 2.6-3.0 2.9=100 HG3 GLU 128 + HB3 GLU 128 OK 75 75 100 100 2.7-3.0 3.0=100 HG2 GLN 82 + HB2 GLN 82 OK 57 57 100 100 2.2-2.8 2.9=100 HG3 GLN 82 + HB2 GLN 82 OK 39 39 100 100 2.2-3.0 2.9=100 HG2 GLN 101 - HB3 GLU 102 poor 13 81 30 55 3.8-6.3 7450/3.8=37, 4093/1.8=13...(5) HG2 GLN 101 - HB3 GLU 97 far 5 100 5 - 3.6-8.7 HG3 GLU 97 - HB3 GLU 102 far 0 82 0 - 8.6-12.4 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 3.1-4.2 4.7=100 H VAL 118 - HB3 GLU 102 far 0 63 0 - 5.7-7.8 H LEU 98 - HB3 GLU 102 far 0 82 0 - 6.5-9.4 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 3 assignments used, quality = 1.00: * H GLU 97 + HG2 GLU 97 OK 100 100 100 100 2.1-2.4 7348/1.8=79, 4.6=68...(19) H LEU 100 - HG2 GLU 97 far 0 95 0 - 6.1-6.7 H SER 9 - HG2 GLU 97 far 0 96 0 - 9.2-42.4 Violated in 0 structures by 0.00 A. Peak 3134 from cnoeabs.peaks (3.76, 2.27, 35.12 ppm; 4.01 A increased from 3.77 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 97 + HG2 GLU 97 OK 100 100 100 100 3.0-3.8 3.8=100 HB2 SER 99 - HG2 GLU 97 far 0 100 0 - 7.1-8.3 Violated in 0 structures by 0.00 A. Peak 3135 from cnoeabs.peaks (2.14, 2.27, 35.12 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 97 + HG2 GLU 97 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LEU 69 - HG2 GLU 97 far 0 65 0 - 7.0-8.5 HG3 GLU 91 - HG2 GLU 97 far 0 60 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 3136 from cnoeabs.peaks (2.21, 2.27, 35.12 ppm; 4.35 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLU 97 + HG2 GLU 97 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LEU 96 + HG2 GLU 97 OK 83 83 100 100 4.0-4.8 4.4/3133=50, ~10010=37...(28) HB2 GLN 101 - HG2 GLU 97 far 0 97 0 - 8.4-10.1 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 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 far 0 100 0 - 6.3-10.6 HG3 GLU 128 - HG2 GLU 97 far 0 100 0 - 9.7-11.9 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 1 assignment used, quality = 1.00: * H LEU 98 + HG2 GLU 97 OK 100 100 100 100 3.6-4.4 7360=100, 7361/1.8=82...(16) Violated in 0 structures by 0.00 A. Peak 3140 from cnoeabs.peaks (8.50, 2.42, 35.12 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 97 + HG3 GLU 97 OK 100 100 100 100 1.7-1.9 7348=100, 3133/1.8=72...(15) H LEU 100 - HG3 GLU 97 far 0 95 0 - 5.4-6.4 H SER 9 - HG3 GLU 97 far 0 96 0 - 8.4-42.2 Violated in 0 structures by 0.00 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 3.6-3.7 3.8=100 HB2 SER 99 - HG3 GLU 97 far 0 100 0 - 5.9-8.0 Violated in 0 structures by 0.00 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 2.4-3.0 2.9=100 HB3 LEU 69 - HG3 GLU 97 far 0 65 0 - 8.5-9.4 HG3 GLU 91 - HG3 GLU 97 far 0 60 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 3143 from cnoeabs.peaks (2.21, 2.42, 35.12 ppm; 3.13 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 97 + HG3 GLU 97 OK 100 100 100 100 2.6-3.0 2.9=100 HB3 LEU 96 - HG3 GLU 97 far 0 83 0 - 4.3-5.1 HB2 GLN 101 - HG3 GLU 97 far 0 97 0 - 7.7-9.7 HB3 GLU 102 - HG3 GLU 97 far 0 95 0 - 8.6-12.4 Violated in 0 structures by 0.00 A. Peak 3144 from cnoeabs.peaks (2.27, 2.42, 35.12 ppm; 2.54 A): 1 out of 2 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 far 0 60 0 - 6.6-8.2 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 1.9-3.4 7361=100, 7360/1.8=93...(17) 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 8 assignments used, quality = 1.00: * H LEU 98 + HA LEU 98 OK 100 100 100 100 2.7-2.8 2.9=100 H LEU 53 + HA LEU 49 OK 48 60 100 80 3.6-4.2 3.7/1631=30, 6657/4.8=22...(10) H LEU 53 - HA LEU 48 far 0 74 0 - 5.9-6.8 HE22 GLN 68 - HA LEU 48 far 0 69 0 - 6.0-9.3 HE22 GLN 68 - HA LEU 49 far 0 56 0 - 6.6-9.0 H GLU 55 - HA LEU 49 far 0 72 0 - 7.2-7.8 H GLU 55 - HA LEU 48 far 0 86 0 - 8.5-9.4 H VAL 118 - HA GLN 104 far 0 43 0 - 10.0-10.5 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 8 assignments used, quality = 1.00: * HB2 LEU 98 + HA LEU 98 OK 100 100 100 100 2.7-3.0 3.0=100 HG LEU 62 - HA LEU 49 far 0 84 0 - 5.7-6.3 HB2 LEU 123 - HA LEU 49 far 0 85 0 - 6.6-8.2 HD2 LYS 95 - HA LEU 98 far 0 100 0 - 7.4-10.1 HD3 LYS 95 - HA LEU 98 far 0 99 0 - 8.2-10.1 HB2 LEU 69 - HA LEU 49 far 0 70 0 - 8.2-9.0 HG LEU 62 - HA GLN 104 far 0 57 0 - 8.7-9.7 HG LEU 62 - HA LEU 48 far 0 98 0 - 9.6-10.2 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 10 assignments used, quality = 1.00: * HB3 LEU 98 + HA LEU 98 OK 100 100 100 100 2.2-2.7 3.0=100 HB2 LEU 48 + HA LEU 48 OK 98 98 100 100 2.5-2.7 3.0=100 HB2 LEU 48 + HA LEU 49 OK 82 84 100 98 3.8-4.2 6598/2.9=51, ~6600=21...(26) HB3 LEU 103 + HA GLN 104 OK 46 55 85 98 4.2-4.5 7488/3.0=56...(19) HB3 LEU 122 - HA LEU 49 far 0 81 0 - 5.8-9.0 HG LEU 100 - HA LEU 98 far 0 99 0 - 6.7-7.2 HB3 LEU 122 - HA LEU 98 far 0 98 0 - 7.2-10.8 HB3 LEU 103 - HA LEU 98 far 0 99 0 - 7.9-8.8 HG LEU 100 - HA GLN 104 far 0 55 0 - 8.0-8.7 HG LEU 100 - HA LEU 49 far 0 82 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 3151 from cnoeabs.peaks (1.71, 4.11, 57.89 ppm; 3.94 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 98 + HA LEU 98 OK 100 100 100 100 2.9-3.7 3.7=100 HG LEU 48 + HA LEU 48 OK 98 98 100 100 2.4-3.2 3.7=100 HG LEU 48 - HA LEU 49 far 0 84 0 - 6.5-6.5 HB3 LEU 70 - HA LEU 98 far 0 100 0 - 9.3-10.0 HB2 LEU 70 - HA LEU 98 far 0 100 0 - 9.4-9.8 HB2 LEU 43 - HA LEU 48 far 0 83 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 3152 from cnoeabs.peaks (0.86, 4.11, 57.89 ppm; 3.70 A): 2 out of 11 assignments used, quality = 1.00: * QD1 LEU 98 + HA LEU 98 OK 100 100 100 100 1.9-3.0 3185=100, 2.1/3193=50...(22) QD2 LEU 98 + HA LEU 98 OK 93 93 100 100 2.0-4.1 2.1/3185=85, 4.0=81...(20) QD2 LEU 69 - HA LEU 49 far 0 83 0 - 5.1-5.5 QG2 VAL 57 - HA LEU 49 far 0 85 0 - 5.3-5.9 QD2 LEU 69 - HA LEU 48 far 0 96 0 - 5.7-6.1 QD2 LEU 123 - HA LEU 49 far 0 60 0 - 5.9-6.7 QD2 LEU 70 - HA LEU 98 far 0 99 0 - 6.1-6.6 QG2 VAL 57 - HA LEU 48 far 0 98 0 - 7.4-7.9 QD2 LEU 123 - HA LEU 48 far 0 74 0 - 8.2-9.0 QD2 LEU 70 - HA LEU 49 far 0 83 0 - 8.8-9.4 QG2 VAL 57 - HA GLN 104 far 0 58 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 3153 from cnoeabs.peaks (0.88, 4.11, 57.89 ppm; 3.32 A): 2 out of 14 assignments used, quality = 0.99: QD1 LEU 98 + HA LEU 98 OK 93 93 100 100 1.9-3.0 3185=90, 2.1/3193=41...(22) * QD2 LEU 98 + HA LEU 98 OK 90 100 90 100 2.0-4.1 2.1/3185=73, 4.0=58...(20) QD2 LEU 69 - HA LEU 49 far 0 83 0 - 5.1-5.5 QG2 VAL 57 - HA LEU 49 far 0 75 0 - 5.3-5.9 QD2 LEU 69 - HA LEU 48 far 0 96 0 - 5.7-6.1 QD2 LEU 123 - HA LEU 49 far 0 82 0 - 5.9-6.7 QD2 LEU 70 - HA LEU 98 far 0 83 0 - 6.1-6.6 QG1 VAL 118 - HA GLN 104 far 0 37 0 - 6.1-6.3 QG1 VAL 118 - HA LEU 98 far 0 76 0 - 6.2-7.0 QG2 VAL 57 - HA LEU 48 far 0 89 0 - 7.4-7.9 QD2 LEU 123 - HA LEU 48 far 0 96 0 - 8.2-9.0 QG1 VAL 118 - HA LEU 49 far 0 58 0 - 8.6-9.4 QD2 LEU 70 - HA LEU 49 far 0 64 0 - 8.8-9.4 QG2 VAL 57 - HA GLN 104 far 0 49 0 - 9.9-10.5 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 9 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 3.6-3.6 3.6=100 H LEU 49 + HA LEU 49 OK 79 79 100 100 2.7-2.7 2.9=100 H ALA 110 - HA GLN 104 far 0 54 0 - 6.6-10.3 H LEU 96 - HA LEU 98 far 0 89 0 - 6.8-7.0 H VAL 126 - HA LEU 49 far 0 85 0 - 7.6-8.2 H LEU 69 - HA LEU 49 far 0 83 0 - 7.7-8.5 H GLY 111 - HA GLN 104 far 0 52 0 - 8.4-10.9 H LEU 69 - HA LEU 48 far 0 96 0 - 9.4-9.9 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 3.5-4.1 7418/3157=67...(21) H LYS 95 - HA LEU 98 far 0 65 0 - 7.1-7.5 H CYS 45 - HA LEU 48 far 0 95 0 - 7.2-7.5 H GLN 101 - HA GLN 104 far 0 58 0 - 7.7-8.1 H CYS 45 - HA LEU 49 far 0 81 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 3156 from cnoeabs.peaks (2.21, 4.11, 57.89 ppm; 3.66 A): 3 out of 16 assignments used, quality = 0.91: HB3 GLU 97 + HA LEU 98 OK 70 97 75 96 4.0-5.3 7359/2.9=47, ~7358=30...(14) HB3 GLN 104 + HA GLN 104 OK 47 47 100 100 2.3-2.4 3.0=100 HB2 GLN 104 + HA GLN 104 OK 45 45 100 100 2.5-2.6 3.0=100 HB3 GLU 102 - HA LEU 98 far 0 76 0 - 4.7-7.8 ! HB2 GLN 101 - HA LEU 98 far 0 100 0 - 4.9-5.4 HG2 GLN 68 - HA LEU 49 far 0 54 0 - 7.1-8.9 HB3 GLN 127 - HA LEU 49 far 0 64 0 - 7.4-9.1 HG2 GLN 68 - HA LEU 48 far 0 67 0 - 7.9-8.8 HB3 GLU 102 - HA GLN 104 far 0 37 0 - 8.0-8.6 HB3 LEU 96 - HA LEU 98 far 0 57 0 - 8.0-8.3 HB2 GLN 101 - HA GLN 104 far 0 58 0 - 8.1-8.9 HB2 GLN 68 - HA LEU 49 far 0 76 0 - 8.5-10.1 HB3 GLN 127 - HA LEU 48 far 0 79 0 - 8.8-10.9 HB2 GLN 68 - HA LEU 48 far 0 91 0 - 9.0-10.6 HB3 GLN 68 - HA LEU 49 far 0 47 0 - 9.5-10.6 HB3 GLN 68 - HA LEU 48 far 0 59 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 3157 from cnoeabs.peaks (2.30, 4.11, 57.89 ppm; 4.20 A increased from 3.96 A): 1 out of 7 assignments used, quality = 0.99: * HB3 GLN 101 + HA LEU 98 OK 99 100 100 99 3.5-4.7 7418/3155=51, 3295=49...(12) HG2 GLU 97 - HA LEU 98 far 0 60 0 - 5.8-6.5 HG2 GLN 61 - HA LEU 49 far 0 66 0 - 6.2-7.9 HG3 GLN 68 - HA LEU 49 far 0 58 0 - 7.8-9.4 HG2 GLN 61 - HA LEU 48 far 0 81 0 - 7.9-9.2 HG3 GLN 68 - HA LEU 48 far 0 72 0 - 8.3-9.4 HB3 GLN 101 - HA GLN 104 far 0 58 0 - 8.5-9.3 Violated in 1 structures by 0.02 A. Peak 3158 from cnoeabs.peaks (4.02, 1.65, 41.76 ppm; 3.97 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 95 + HB2 LEU 98 OK 100 100 100 100 2.5-3.1 11470/3.1=67...(15) HB3 SER 99 - HB2 LEU 98 far 0 93 0 - 4.8-6.8 HA LEU 96 - HB2 LEU 98 far 0 78 0 - 5.0-6.2 HA ALA 92 - HB2 LEU 98 far 0 63 0 - 8.1-8.6 HA LEU 103 - HB2 LEU 98 far 0 100 0 - 9.6-11.8 HB2 SER 124 - HB2 LEU 98 far 0 73 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 3159 from cnoeabs.peaks (7.74, 1.65, 41.76 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + HB2 LEU 98 OK 100 100 100 100 2.1-2.4 3.9=100 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 2.7-3.0 3.0=100 HA GLN 101 - HB2 LEU 98 far 0 100 0 - 8.2-8.7 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 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 98 0 - 6.4-10.7 HG LEU 100 - HB2 LEU 98 far 0 99 0 - 7.1-8.0 HB3 LEU 103 - HB2 LEU 98 far 0 99 0 - 8.9-10.5 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 1 assignment used, quality = 1.00: * HG LEU 98 + HB2 LEU 98 OK 100 100 100 100 2.3-2.6 3.0=100 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 3 assignments used, quality = 1.00: * QD1 LEU 98 + HB2 LEU 98 OK 100 100 100 100 3.1-3.2 3.1=100 QD2 LEU 98 + HB2 LEU 98 OK 93 93 100 100 2.1-2.7 3.1=100 QD2 LEU 70 - HB2 LEU 98 far 0 99 0 - 6.4-6.9 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 4 assignments used, quality = 1.00: * QD2 LEU 98 + HB2 LEU 98 OK 100 100 100 100 2.1-2.7 3.1=100 QD1 LEU 98 + HB2 LEU 98 OK 93 93 100 100 3.1-3.2 3.1=100 QG1 VAL 118 - HB2 LEU 98 far 0 76 0 - 6.2-7.5 QD2 LEU 70 - HB2 LEU 98 far 0 83 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 3166 from cnoeabs.peaks (8.29, 1.65, 41.76 ppm; 4.48 A): 2 out of 3 assignments used, quality = 1.00: * H SER 99 + HB2 LEU 98 OK 100 100 100 100 2.3-3.5 4.6=91, 7375/7363=65...(17) H LEU 96 + HB2 LEU 98 OK 29 89 35 93 4.9-5.4 3.6/3158=67, 3.7/9997=37...(9) H VAL 126 - HB2 LEU 98 far 0 100 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 3167 from cnoeabs.peaks (4.02, 1.78, 41.76 ppm; 4.30 A): 4 out of 23 assignments used, quality = 1.00: * HA LYS 95 + HB3 LEU 98 OK 100 100 100 100 4.1-4.6 3158/1.8=88, 2963=88...(23) HA LEU 103 + HB3 LEU 103 OK 91 91 100 100 3.0-3.0 3.0=100 HA LEU 119 + HB3 LEU 122 OK 77 84 95 97 3.6-5.0 3764=86, 3762/3.5=44...(10) HB3 SER 99 + HB3 LEU 122 OK 34 75 45 99 3.5-6.2 11702/3.1=53...(21) HB3 SER 99 - HB3 LEU 103 far 4 81 5 - 4.8-6.5 HA LEU 96 - HB3 LEU 122 far 3 60 5 - 3.3-5.7 HB3 SER 99 - HB3 LEU 98 far 0 93 0 - 5.1-7.2 HA SER 60 - HB3 LEU 103 far 0 87 0 - 5.6-7.0 HA LEU 119 - HB3 LEU 103 far 0 90 0 - 5.7-6.8 HA SER 50 - HB3 LEU 122 far 0 58 0 - 6.1-9.8 HA LEU 96 - HB3 LEU 98 far 0 78 0 - 6.4-7.5 HB3 SER 124 - HB3 LEU 122 far 0 80 0 - 7.0-8.0 HA LYS 95 - HB3 LEU 122 far 0 86 0 - 7.3-10.2 HB2 SER 124 - HB3 LEU 122 far 0 56 0 - 7.3-8.3 HA SER 50 - HB2 LEU 48 far 0 70 0 - 7.5-7.9 HA GLU 44 - HB2 LEU 48 far 0 55 0 - 7.5-8.0 HA LEU 103 - HB3 LEU 122 far 0 85 0 - 7.8-9.2 HA LEU 96 - HB3 LEU 103 far 0 66 0 - 8.2-9.1 HA LEU 103 - HB3 LEU 98 far 0 100 0 - 8.9-11.4 HA GLN 68 - HB2 LEU 48 far 0 63 0 - 9.3-10.3 HA ALA 92 - HB3 LEU 122 far 0 47 0 - 9.6-11.7 HA ALA 92 - HB3 LEU 98 far 0 63 0 - 9.7-10.2 HA SER 60 - HB3 LEU 122 far 0 80 0 - 9.8-11.4 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 3.4-3.6 7364=100, 7363/1.8=77...(22) HE22 GLN 68 - HB2 LEU 48 poor 17 68 25 - 3.9-6.7 H LEU 98 - HB3 LEU 122 far 0 86 0 - 5.9-9.5 H LEU 53 - HB2 LEU 48 far 0 73 0 - 6.4-7.2 H LEU 53 - HB3 LEU 122 far 0 60 0 - 6.7-10.5 H VAL 118 - HB3 LEU 103 far 0 73 0 - 6.9-7.7 H VAL 118 - HB3 LEU 122 far 0 67 0 - 7.5-8.4 H LEU 98 - HB3 LEU 103 far 0 92 0 - 8.5-9.4 H GLU 55 - HB2 LEU 48 far 0 85 0 - 9.3-10.0 H GLU 55 - HB3 LEU 122 far 0 72 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 3169 from cnoeabs.peaks (4.11, 1.78, 41.76 ppm; 4.15 A): 5 out of 14 assignments used, quality = 1.00: * HA LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.2-2.7 3.0=100 HA LEU 48 + HB2 LEU 48 OK 97 97 100 100 2.5-2.7 3.0=100 HA LEU 49 + HB2 LEU 48 OK 97 97 100 99 3.8-4.2 2.9/6598=61...(26) HA CYS 45 + HB2 LEU 48 OK 85 85 100 100 4.4-4.7 1438/1.8=62, 1437=62...(14) HA GLN 104 + HB3 LEU 103 OK 76 76 100 100 4.2-4.5 3.0/7488=66...(19) HA GLN 101 - HB3 LEU 103 far 0 91 0 - 5.2-5.4 HA LEU 49 - HB3 LEU 122 far 0 86 0 - 5.8-9.0 HA ALA 52 - HB2 LEU 48 far 0 63 0 - 6.3-6.9 HA LEU 98 - HB3 LEU 122 far 0 86 0 - 7.2-10.8 HA GLN 101 - HB3 LEU 98 far 0 100 0 - 7.6-8.2 HA LEU 98 - HB3 LEU 103 far 0 92 0 - 7.9-8.8 HA GLN 101 - HB3 LEU 122 far 0 85 0 - 8.5-11.3 HA3 GLY 114 - HB3 LEU 122 far 0 68 0 - 9.0-13.1 HA ALA 52 - HB3 LEU 122 far 0 52 0 - 9.6-13.2 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 11 assignments used, quality = 1.00: * HB2 LEU 98 + HB3 LEU 98 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 123 - HB3 LEU 122 far 0 85 0 - 4.3-6.2 HD2 LYS 95 - HB3 LEU 98 far 0 100 0 - 6.3-9.1 HB2 LEU 98 - HB3 LEU 122 far 0 86 0 - 6.4-10.7 HG LEU 62 - HB3 LEU 122 far 0 85 0 - 6.5-9.7 HD3 LYS 95 - HB3 LEU 98 far 0 99 0 - 7.0-9.0 HG LEU 62 - HB3 LEU 103 far 0 91 0 - 7.8-8.7 HB2 LEU 69 - HB3 LEU 122 far 0 70 0 - 8.0-8.6 HG LEU 62 - HB2 LEU 48 far 0 97 0 - 8.4-8.9 HB2 LEU 98 - HB3 LEU 103 far 0 92 0 - 8.9-10.5 HB2 LEU 69 - HB2 LEU 48 far 0 83 0 - 9.0-9.5 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 5 assignments used, quality = 1.00: * HG LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.6-3.0 3.0=100 HG LEU 48 + HB2 LEU 48 OK 97 97 100 100 3.0-3.0 3.0=100 HG LEU 98 - HB3 LEU 103 far 0 92 0 - 8.6-11.6 HG LEU 98 - HB3 LEU 122 far 0 86 0 - 8.7-11.9 HB3 LEU 70 - HB3 LEU 122 far 0 84 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 3173 from cnoeabs.peaks (0.86, 1.78, 41.76 ppm; 3.76 A): 2 out of 17 assignments used, quality = 1.00: * QD1 LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.2-2.4 3.1=100 QD2 LEU 98 + HB3 LEU 98 OK 93 93 100 100 2.3-3.1 3.1=100 QD2 LEU 69 - HB2 LEU 48 far 0 95 0 - 4.8-5.2 QD2 LEU 123 - HB3 LEU 122 far 0 60 0 - 5.8-7.4 QD2 LEU 70 - HB3 LEU 122 far 0 84 0 - 5.9-7.5 QG2 VAL 57 - HB2 LEU 48 far 0 97 0 - 6.9-7.4 QD2 LEU 69 - HB3 LEU 122 far 0 83 0 - 7.1-8.2 QD2 LEU 98 - HB3 LEU 122 far 0 75 0 - 7.1-10.5 QD1 LEU 98 - HB3 LEU 103 far 0 92 0 - 7.4-9.3 QD2 LEU 70 - HB3 LEU 98 far 0 99 0 - 7.4-8.0 QG2 VAL 57 - HB3 LEU 122 far 0 86 0 - 7.6-10.4 QD2 LEU 70 - HB3 LEU 103 far 0 90 0 - 7.9-8.5 QD1 LEU 98 - HB3 LEU 122 far 0 86 0 - 8.0-10.9 QD2 LEU 98 - HB3 LEU 103 far 0 81 0 - 8.6-10.2 QD2 LEU 123 - HB2 LEU 48 far 0 73 0 - 8.9-9.5 QG2 VAL 57 - HB3 LEU 103 far 0 92 0 - 9.4-10.1 QD2 LEU 70 - HB2 LEU 48 far 0 96 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 3174 from cnoeabs.peaks (0.88, 1.78, 41.76 ppm; 3.57 A): 3 out of 20 assignments used, quality = 1.00: * QD2 LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.3-3.1 3.1=100 QD1 LEU 98 + HB3 LEU 98 OK 93 93 100 100 2.2-2.4 3.1=100 QG1 VAL 118 + HB3 LEU 103 OK 64 64 100 100 2.7-3.2 ~10263=42, ~10263=41...(26) QG1 VAL 118 - HB3 LEU 122 poor 15 58 25 - 3.7-4.7 QD2 LEU 69 - HB2 LEU 48 far 0 95 0 - 4.8-5.2 QD2 LEU 123 - HB3 LEU 122 far 0 82 0 - 5.8-7.4 QG1 VAL 118 - HB3 LEU 98 far 0 76 0 - 5.9-7.6 QD2 LEU 70 - HB3 LEU 122 far 0 65 0 - 5.9-7.5 QG2 VAL 57 - HB2 LEU 48 far 0 88 0 - 6.9-7.4 QD2 LEU 69 - HB3 LEU 122 far 0 83 0 - 7.1-8.2 QD2 LEU 98 - HB3 LEU 122 far 0 86 0 - 7.1-10.5 QD1 LEU 98 - HB3 LEU 103 far 0 81 0 - 7.4-9.3 QD2 LEU 70 - HB3 LEU 98 far 0 83 0 - 7.4-8.0 QG2 VAL 57 - HB3 LEU 122 far 0 75 0 - 7.6-10.4 QD2 LEU 70 - HB3 LEU 103 far 0 71 0 - 7.9-8.5 QD1 LEU 98 - HB3 LEU 122 far 0 75 0 - 8.0-10.9 QD2 LEU 98 - HB3 LEU 103 far 0 92 0 - 8.6-10.2 QD2 LEU 123 - HB2 LEU 48 far 0 95 0 - 8.9-9.5 QG2 VAL 57 - HB3 LEU 103 far 0 81 0 - 9.4-10.1 QD2 LEU 70 - HB2 LEU 48 far 0 77 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 3175 from cnoeabs.peaks (8.29, 1.78, 41.76 ppm; 4.42 A): 3 out of 12 assignments used, quality = 1.00: * H SER 99 + HB3 LEU 98 OK 100 100 100 100 3.0-4.2 4.6=88, 3166/1.8=80...(18) H LEU 49 + HB2 LEU 48 OK 92 92 100 100 2.6-3.1 6598=94, 6589/6584=65...(22) H VAL 126 + HB3 LEU 122 OK 53 86 65 95 4.7-5.5 10405/1.8=68...(13) H SER 99 - HB3 LEU 122 far 4 86 5 - 3.9-7.5 H LEU 96 - HB3 LEU 122 far 0 70 0 - 6.0-8.4 H LEU 96 - HB3 LEU 98 far 0 89 0 - 6.6-7.1 H SER 99 - HB3 LEU 103 far 0 92 0 - 6.8-7.4 H LEU 49 - HB3 LEU 122 far 0 79 0 - 7.4-9.9 H LEU 69 - HB2 LEU 48 far 0 95 0 - 7.5-8.2 H ALA 110 - HB3 LEU 103 far 0 88 0 - 8.8-13.2 H LEU 69 - HB3 LEU 122 far 0 83 0 - 9.0-9.5 H GLY 111 - HB3 LEU 103 far 0 85 0 - 10.0-13.2 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 4 assignments used, quality = 1.00: * H LEU 98 + HG LEU 98 OK 100 100 100 100 2.4-3.6 7365=93, 3192/2.1=61...(19) HE22 GLN 68 - HG LEU 48 poor 18 71 25 - 3.8-8.2 H LEU 53 - HG LEU 48 far 0 76 0 - 8.3-9.4 H VAL 118 - HG LEU 98 far 0 85 0 - 9.6-13.4 Violated in 0 structures by 0.00 A. Peak 3177 from cnoeabs.peaks (4.11, 1.71, 26.74 ppm; 3.74 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 98 + HG LEU 98 OK 100 100 100 100 2.9-3.7 3.7=100 HA LEU 48 + HG LEU 48 OK 99 99 100 100 2.4-3.2 3.7=100 HA CYS 45 + HG LEU 48 OK 86 88 100 98 2.0-4.3 1529/2.1=58, 1438/3.0=41...(14) HA LEU 49 - HG LEU 48 far 0 99 0 - 6.5-6.5 HA ALA 52 - HG LEU 48 far 0 66 0 - 7.8-9.2 HA GLN 101 - HG LEU 98 far 0 100 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 3178 from cnoeabs.peaks (1.65, 1.71, 26.74 ppm; 4.35 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 98 + HG LEU 98 OK 100 100 100 100 2.3-2.6 3.0=100 HD2 LYS 95 - HG LEU 98 far 10 100 10 - 4.1-8.1 HD3 LYS 95 - HG LEU 98 far 0 99 0 - 5.4-7.9 HB2 LEU 69 - HG LEU 48 far 0 86 0 - 9.1-10.9 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 5 assignments used, quality = 1.00: * HB3 LEU 98 + HG LEU 98 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 LEU 48 + HG LEU 48 OK 99 99 100 100 3.0-3.0 3.0=100 HG LEU 100 - HG LEU 98 far 0 99 0 - 7.2-9.7 HB3 LEU 103 - HG LEU 98 far 0 99 0 - 8.6-11.6 HB3 LEU 122 - HG LEU 98 far 0 98 0 - 8.7-11.9 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 5 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 QD2 LEU 69 - HG LEU 48 far 0 98 0 - 4.5-6.1 QD2 LEU 70 - HG LEU 98 far 0 99 0 - 6.4-8.0 QG2 VAL 57 - HG LEU 48 far 0 99 0 - 8.9-9.8 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 6 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 0 98 0 - 4.5-6.1 QG1 VAL 118 - HG LEU 98 far 0 76 0 - 5.7-8.7 QD2 LEU 70 - HG LEU 98 far 0 83 0 - 6.4-8.0 QG2 VAL 57 - HG LEU 48 far 0 91 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 3183 from cnoeabs.peaks (8.29, 1.71, 26.74 ppm; 4.92 A increased from 4.38 A): 2 out of 6 assignments used, quality = 1.00: * H SER 99 + HG LEU 98 OK 100 100 100 100 2.3-5.1 3191/2.1=79, 3166/3.0=77...(14) H LEU 49 + HG LEU 48 OK 95 95 100 100 4.2-4.7 6600=94, 6589/6586=77...(26) H LEU 96 - HG LEU 98 far 9 89 10 - 5.4-6.4 H LEU 69 - HG LEU 48 far 0 98 0 - 7.6-9.6 H LEU 43 - HG LEU 48 far 0 99 0 - 8.6-10.5 H VAL 126 - HG LEU 98 far 0 100 0 - 9.6-11.6 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 3.3-4.2 2.9/3185=80, 3176/2.1=78...(20) H LEU 98 + QD2 LEU 98 OK 44 44 100 100 1.9-3.9 3176/2.1=78, 7364/3.1=66...(18) H VAL 118 - QD1 LEU 98 far 0 85 0 - 7.9-11.2 H VAL 118 - QD2 LEU 98 far 0 32 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 3185 from cnoeabs.peaks (4.11, 0.86, 23.66 ppm; 3.01 A): 1 out of 4 assignments used, quality = 0.98: * HA LEU 98 + QD1 LEU 98 OK 98 100 100 98 1.9-3.0 4.0=44, 3153/2.1=27...(22) HA LEU 98 - QD2 LEU 98 poor 18 44 40 - 2.0-4.1 HA GLN 101 - QD2 LEU 98 far 0 44 0 - 6.5-8.8 HA GLN 101 - QD1 LEU 98 far 0 100 0 - 6.6-7.1 Violated in 1 structures by 0.00 A. Peak 3186 from cnoeabs.peaks (1.65, 0.86, 23.66 ppm; 3.12 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 98 + QD1 LEU 98 OK 100 100 100 100 3.1-3.2 3.1=100 HB2 LEU 98 + QD2 LEU 98 OK 44 44 100 100 2.1-2.7 3.1=100 HD2 LYS 95 - QD2 LEU 98 far 2 44 5 - 3.7-7.1 HD3 LYS 95 - QD2 LEU 98 far 0 42 0 - 3.8-7.3 HD2 LYS 95 - QD1 LEU 98 far 0 100 0 - 5.3-8.6 HD3 LYS 95 - QD1 LEU 98 far 0 99 0 - 6.2-8.4 HD2 LYS 24 - QD2 LEU 98 far 0 41 0 - 8.0-30.5 HD3 LYS 24 - QD2 LEU 98 far 0 42 0 - 9.2-29.6 HB2 LEU 69 - QD2 LEU 98 far 0 34 0 - 9.2-11.4 HD2 LYS 24 - QD1 LEU 98 far 0 98 0 - 9.6-30.7 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 9 assignments used, quality = 1.00: * HB3 LEU 98 + QD1 LEU 98 OK 100 100 100 100 2.2-2.4 3.1=100 HB3 LEU 98 + QD2 LEU 98 OK 44 44 100 100 2.3-3.1 3.1=100 HG LEU 100 - QD2 LEU 98 far 0 42 0 - 6.8-8.8 HB3 LEU 122 - QD2 LEU 98 far 0 41 0 - 7.1-10.5 HG LEU 100 - QD1 LEU 98 far 0 99 0 - 7.1-8.5 HB3 LEU 103 - QD1 LEU 98 far 0 99 0 - 7.4-9.3 HB3 LEU 122 - QD1 LEU 98 far 0 98 0 - 8.0-10.9 HB3 LEU 103 - QD2 LEU 98 far 0 42 0 - 8.6-10.2 HB3 LYS 24 - QD2 LEU 98 far 0 21 0 - 9.3-30.4 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 - 7.6-10.6 HB3 LEU 70 - QD2 LEU 98 far 0 43 0 - 7.9-10.7 HG3 ARG 90 - QD2 LEU 98 far 0 28 0 - 8.6-11.2 HB2 LEU 70 - QD1 LEU 98 far 0 100 0 - 8.9-10.8 HB3 LEU 70 - QD1 LEU 98 far 0 100 0 - 9.1-10.7 HG3 ARG 90 - QD1 LEU 98 far 0 76 0 - 9.9-13.3 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; 4.71 A increased from 4.19 A): 2 out of 9 assignments used, quality = 1.00: * H SER 99 + QD1 LEU 98 OK 100 100 100 100 3.3-4.8 3.6/3185=84, 3166/3.1=70...(16) H SER 99 + QD2 LEU 98 OK 44 44 100 100 3.9-4.7 3166/3.1=70, 7375/4.8=56...(19) H LEU 96 - QD2 LEU 98 poor 17 34 50 - 4.8-5.8 H LEU 96 - QD1 LEU 98 far 0 89 0 - 6.6-7.1 H GLY 17 - QD1 LEU 98 far 0 63 0 - 8.8-34.8 H GLY 17 - QD2 LEU 98 far 0 22 0 - 8.9-36.4 H VAL 126 - QD2 LEU 98 far 0 44 0 - 8.9-10.3 H VAL 126 - QD1 LEU 98 far 0 100 0 - 9.9-11.2 H ALA 21 - QD2 LEU 98 far 0 35 0 - 10.0-33.4 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 1.9-3.9 3176/2.1=85, 4.8=74...(18) H LEU 98 + QD1 LEU 98 OK 44 44 100 100 3.3-4.2 3176/2.1=85, 4.8=74...(20) H VAL 118 - QD1 LEU 98 far 0 32 0 - 7.9-11.2 H VAL 118 - QD2 LEU 98 far 0 85 0 - 9.4-11.5 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 4 assignments used, quality = 0.94: * HA LEU 98 + QD2 LEU 98 OK 90 100 90 99 2.0-4.1 4.0=67, 2.9/3192=45...(20) HA LEU 98 + QD1 LEU 98 OK 44 44 100 100 1.9-3.0 4.0=67, 3153/2.1=35...(22) HA GLN 101 - QD2 LEU 98 far 0 100 0 - 6.5-8.8 HA GLN 101 - QD1 LEU 98 far 0 44 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 3194 from cnoeabs.peaks (1.65, 0.88, 24.02 ppm; 3.48 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 98 + QD2 LEU 98 OK 100 100 100 100 2.1-2.7 3.1=100 HB2 LEU 98 + QD1 LEU 98 OK 44 44 100 100 3.1-3.2 3.1=100 HD2 LYS 95 - QD2 LEU 98 far 5 100 5 - 3.7-7.1 HD3 LYS 95 - QD2 LEU 98 far 5 99 5 - 3.8-7.3 HD2 LYS 95 - QD1 LEU 98 far 0 44 0 - 5.3-8.6 HD3 LYS 95 - QD1 LEU 98 far 0 42 0 - 6.2-8.4 HD2 LYS 24 - QD2 LEU 98 far 0 98 0 - 8.0-30.5 HD3 LYS 24 - QD2 LEU 98 far 0 99 0 - 9.2-29.6 HB2 LEU 69 - QD2 LEU 98 far 0 89 0 - 9.2-11.4 HD2 LYS 24 - QD1 LEU 98 far 0 41 0 - 9.6-30.7 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 9 assignments used, quality = 1.00: * HB3 LEU 98 + QD2 LEU 98 OK 100 100 100 100 2.3-3.1 3.1=100 HB3 LEU 98 + QD1 LEU 98 OK 44 44 100 100 2.2-2.4 3.1=100 HG LEU 100 - QD2 LEU 98 far 0 99 0 - 6.8-8.8 HB3 LEU 122 - QD2 LEU 98 far 0 98 0 - 7.1-10.5 HG LEU 100 - QD1 LEU 98 far 0 42 0 - 7.1-8.5 HB3 LEU 103 - QD1 LEU 98 far 0 42 0 - 7.4-9.3 HB3 LEU 122 - QD1 LEU 98 far 0 41 0 - 8.0-10.9 HB3 LEU 103 - QD2 LEU 98 far 0 99 0 - 8.6-10.2 HB3 LYS 24 - QD2 LEU 98 far 0 60 0 - 9.3-30.4 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 - 7.6-10.6 HB3 LEU 70 - QD2 LEU 98 far 0 100 0 - 7.9-10.7 HG3 ARG 90 - QD2 LEU 98 far 0 76 0 - 8.6-11.2 HB2 LEU 70 - QD1 LEU 98 far 0 44 0 - 8.9-10.8 HB3 LEU 70 - QD1 LEU 98 far 0 43 0 - 9.1-10.7 HG3 ARG 90 - QD1 LEU 98 far 0 28 0 - 9.9-13.3 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): 3 out of 9 assignments used, quality = 1.00: * H SER 99 + QD2 LEU 98 OK 100 100 100 100 3.9-4.7 3166/3.1=89...(19) H LEU 96 + QD2 LEU 98 OK 88 89 100 100 4.8-5.8 3.6/11470=94...(8) H SER 99 + QD1 LEU 98 OK 44 44 100 100 3.3-4.8 3166/3.1=89, 7375/4.8=76...(16) H LEU 96 - QD1 LEU 98 far 0 34 0 - 6.6-7.1 H GLY 17 - QD1 LEU 98 far 0 22 0 - 8.8-34.8 H GLY 17 - QD2 LEU 98 far 0 63 0 - 8.9-36.4 H VAL 126 - QD2 LEU 98 far 0 100 0 - 8.9-10.3 H VAL 126 - QD1 LEU 98 far 0 44 0 - 9.9-11.2 H ALA 21 - QD2 LEU 98 far 0 90 0 - 10.0-33.4 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 3 assignments used, quality = 1.00: * H SER 99 + HA SER 99 OK 100 100 100 100 2.7-2.9 2.9=100 H LEU 96 - HA SER 99 far 0 89 0 - 7.4-8.0 H VAL 126 - HA SER 99 far 0 100 0 - 9.7-10.3 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 2.4-3.0 3.0=100 HA GLU 97 - HA SER 99 far 0 100 0 - 6.3-6.9 Violated in 0 structures by 0.00 A. Peak 3203 from cnoeabs.peaks (4.00, 4.22, 62.42 ppm; 4.02 A): 1 out of 5 assignments used, quality = 1.00: * HB3 SER 99 + HA SER 99 OK 100 100 100 100 2.2-2.8 3.0=100 HA LEU 103 - HA SER 99 far 0 97 0 - 5.4-6.8 HA LYS 95 - HA SER 99 far 0 93 0 - 6.0-6.9 HA LEU 119 - HA SER 99 far 0 83 0 - 7.1-8.5 HB3 SER 106 - HA SER 99 far 0 65 0 - 7.7-9.1 Violated in 0 structures by 0.00 A. Peak 3204 from cnoeabs.peaks (8.49, 4.22, 62.42 ppm; 5.33 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 far 0 95 0 - 6.7-7.1 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 3.4-3.7 7443=100, 7455/3206=64...(14) 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 4 assignments used, quality = 1.00: * HB2 GLU 102 + HA SER 99 OK 100 100 100 100 2.8-4.3 1.8/3207=91...(7) HB VAL 118 + HA SER 99 OK 32 71 45 100 5.2-6.0 2.1/11482=90...(11) HG2 PRO 117 - HA SER 99 far 0 63 0 - 6.8-7.7 HB2 LEU 62 - HA SER 99 far 0 71 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 3207 from cnoeabs.peaks (2.23, 4.22, 62.42 ppm; 4.59 A increased from 4.32 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 102 + HA SER 99 OK 100 100 100 100 2.5-4.6 1.8/3206=79, 3.8/7443=61...(11) HB2 GLN 101 - HA SER 99 far 0 76 0 - 6.6-7.5 HB3 GLU 97 - HA SER 99 far 0 95 0 - 7.4-8.5 HB3 LEU 96 - HA SER 99 far 0 99 0 - 8.3-8.8 HB3 GLN 104 - HA SER 99 far 0 99 0 - 9.3-9.7 Violated in 1 structures by 0.00 A. Peak 3208 from cnoeabs.peaks (4.04, 3.76, 63.21 ppm; 3.93 A): 2 out of 9 assignments used, quality = 0.98: * HA LEU 96 + HB2 SER 99 OK 87 100 100 87 2.9-4.1 7388/4.5=32, 3214/1.8=25...(15) HA LEU 122 + HB2 SER 99 OK 86 99 95 91 3.2-5.0 3.9/11479=27...(23) HA LYS 95 - HB2 SER 99 far 0 78 0 - 4.8-6.9 HA LEU 119 - HB2 SER 99 far 0 90 0 - 5.9-7.6 HA LEU 103 - HB2 SER 99 far 0 71 0 - 6.1-8.1 HA GLU 102 - HB2 SER 99 far 0 98 0 - 7.4-8.3 HB3 SER 124 - HB2 SER 99 far 0 96 0 - 8.3-9.5 HA ALA 92 - HB2 SER 99 far 0 99 0 - 8.4-10.4 HB THR 65 - HB2 SER 99 far 0 73 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 3209 from cnoeabs.peaks (8.29, 3.76, 63.21 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: * H SER 99 + HB2 SER 99 OK 100 100 100 100 2.1-3.2 3.7=100 H LEU 96 - HB2 SER 99 far 0 89 0 - 5.0-6.6 H VAL 126 - HB2 SER 99 far 0 100 0 - 6.8-7.9 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 2.4-3.0 3.0=100 HA SER 94 - HB2 SER 99 far 0 92 0 - 7.9-9.9 HA HIS 67 - HB2 SER 99 far 0 100 0 - 9.1-10.6 HA SER 124 - HB2 SER 99 far 0 76 0 - 9.4-10.3 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 far 0 93 0 - 4.8-6.9 HA LEU 119 - HB2 SER 99 far 0 83 0 - 5.9-7.6 HA LEU 103 - HB2 SER 99 far 0 97 0 - 6.1-8.1 HB2 SER 124 - HB2 SER 99 far 0 97 0 - 7.8-9.2 HB3 SER 124 - HB2 SER 99 far 0 73 0 - 8.3-9.5 HB3 SER 106 - HB2 SER 99 far 0 65 0 - 9.0-11.3 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 2 assignments used, quality = 1.00: * H LEU 100 + HB2 SER 99 OK 100 100 100 100 2.8-4.0 4.5=100 H GLU 97 + HB2 SER 99 OK 68 95 85 85 4.8-6.3 3.6/3208=38, 7385/3.7=35...(11) Violated in 0 structures by 0.00 A. Peak 3214 from cnoeabs.peaks (4.04, 4.00, 63.21 ppm; 4.89 A increased from 4.35 A): 2 out of 9 assignments used, quality = 1.00: HA LEU 122 + HB3 SER 99 OK 97 99 100 99 4.3-5.2 3.8/11702=59...(17) * HA LEU 96 + HB3 SER 99 OK 96 100 100 96 4.3-5.1 7388/3219=51...(13) HA LEU 119 - HB3 SER 99 far 0 90 0 - 5.6-7.0 HA LEU 103 - HB3 SER 99 far 0 71 0 - 5.7-7.0 HA LYS 95 - HB3 SER 99 far 0 78 0 - 5.8-7.4 HA GLU 102 - HB3 SER 99 far 0 98 0 - 7.1-7.8 HB3 SER 124 - HB3 SER 99 far 0 96 0 - 8.4-9.8 HA ALA 92 - HB3 SER 99 far 0 99 0 - 9.7-11.4 HB THR 65 - HB3 SER 99 far 0 73 0 - 10.0-12.1 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 3 assignments used, quality = 1.00: * H SER 99 + HB3 SER 99 OK 100 100 100 100 3.0-3.6 3.7=100 H LEU 96 - HB3 SER 99 far 0 89 0 - 6.5-7.4 H VAL 126 - HB3 SER 99 far 0 100 0 - 7.6-8.3 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 2.2-2.8 3.0=100 HA HIS 67 - HB3 SER 99 far 0 100 0 - 9.4-11.2 HA SER 94 - HB3 SER 99 far 0 92 0 - 9.5-10.5 HA SER 124 - HB3 SER 99 far 0 76 0 - 9.9-10.8 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 0 100 0 - 6.0-7.5 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): 1 out of 2 assignments used, quality = 1.00: * H LEU 100 + HB3 SER 99 OK 100 100 100 100 3.1-4.3 4.5=100 H GLU 97 - HB3 SER 99 far 0 95 0 - 6.4-7.3 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 2.7-2.8 2.9=100 H GLU 97 - HA LEU 100 far 0 95 0 - 7.0-7.5 H LEU 70 - HA LEU 100 far 0 78 0 - 8.7-9.3 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): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 100 + HA LEU 100 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 103 + HA LEU 100 OK 58 60 100 97 2.2-2.6 3.9/7463=55, 1.8/3229=45...(17) HB3 LEU 122 - HA LEU 100 far 3 63 5 - 4.4-6.6 HB3 LEU 123 - HA LEU 100 far 0 81 0 - 9.2-11.0 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 6 assignments used, quality = 1.00: * HB3 LEU 100 + HA LEU 100 OK 100 100 100 100 2.6-2.7 3.0=100 HG LEU 96 - HA LEU 100 far 0 87 0 - 6.5-7.4 HB2 LEU 96 - HA LEU 100 far 0 100 0 - 7.3-7.9 QB ALA 109 - HA LEU 100 far 0 98 0 - 9.5-10.5 QB ALA 108 - HA LEU 100 far 0 100 0 - 9.8-11.1 QB ALA 15 - HA LEU 100 far 0 100 0 - 9.9-36.8 Violated in 0 structures by 0.00 A. Peak 3224 from cnoeabs.peaks (1.78, 3.96, 57.71 ppm; 4.55 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 100 + HA LEU 100 OK 100 100 100 100 2.4-2.8 3.7=100 HB3 LEU 103 + HA LEU 100 OK 90 90 100 99 2.2-2.6 3.9/7463=57, 1.8/3229=46...(19) HB3 LEU 122 - HA LEU 100 far 4 89 5 - 4.4-6.6 HB3 LEU 98 - HA LEU 100 far 0 99 0 - 7.5-8.4 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 2.0-2.5 3258=100, 3260/3.0=63...(26) QD2 LEU 62 - HA LEU 100 far 0 100 0 - 7.6-8.1 Violated in 0 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 3.8-3.8 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 1 assignment used, quality = 1.00: * H GLN 101 + HA LEU 100 OK 100 100 100 100 3.6-3.6 3.6=100 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 3.1-3.2 7463=100, 3.0/7445=84...(20) H ALA 108 - HA LEU 100 far 0 100 0 - 8.6-10.7 H ASN 120 - HA LEU 100 far 0 100 0 - 8.7-9.6 H ALA 109 - HA LEU 100 far 0 100 0 - 10.0-11.9 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 98 100 100 98 2.9-3.4 7473/7463=54, 3370=46...(18) HG LEU 103 + HA LEU 100 OK 58 81 80 90 4.3-5.1 5.0/7463=40, 3.0/3370=33...(15) HG LEU 122 + HA LEU 100 OK 58 65 95 93 3.4-5.5 2.1/11489=32...(20) HG LEU 49 - HA LEU 100 far 0 100 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 3230 from cnoeabs.peaks (1.79, 3.96, 57.71 ppm; 4.66 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LEU 103 + HA LEU 100 OK 100 100 100 100 2.2-2.6 7474/7463=63...(20) HG LEU 100 + HA LEU 100 OK 90 90 100 100 2.4-2.8 3.7=100 HB2 LEU 100 + HA LEU 100 OK 60 60 100 100 3.0-3.0 3.0=100 HB3 LEU 122 - HA LEU 100 far 5 100 5 - 4.4-6.6 HB3 LEU 98 - HA LEU 100 far 0 99 0 - 7.5-8.4 HB3 LEU 123 - HA LEU 100 far 0 38 0 - 9.2-11.0 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 3 assignments used, quality = 1.00: * HA GLU 97 + HB2 LEU 100 OK 100 100 100 100 2.1-2.7 3115=100, 10036/3.2=79...(19) HB2 SER 99 + HB2 LEU 100 OK 91 100 95 96 4.8-6.2 4.5/7397=64...(12) HB2 SER 99 - HB3 LEU 123 far 0 77 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 3232 from cnoeabs.peaks (8.49, 1.82, 41.28 ppm; 3.99 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.1-2.3 3.9=100 H GLU 97 - HB2 LEU 100 far 0 95 0 - 4.8-5.3 H LEU 70 - HB2 LEU 100 far 0 78 0 - 6.8-7.3 H LEU 100 - HB3 LEU 123 far 0 78 0 - 9.2-11.4 H ASP 47 - HB3 LEU 123 far 0 38 0 - 9.6-11.2 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 9 assignments used, quality = 1.00: * HA LEU 100 + HB2 LEU 100 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLN 127 - HB3 LEU 123 far 0 74 0 - 6.6-7.6 HB3 SER 51 - HB3 LEU 123 far 0 57 0 - 7.8-9.8 HB2 SER 51 - HB3 LEU 123 far 0 59 0 - 7.9-9.5 HB3 SER 107 - HB2 LEU 100 far 0 100 0 - 9.0-11.4 HA LEU 100 - HB3 LEU 123 far 0 78 0 - 9.2-11.0 HA THR 65 - HB2 LEU 100 far 0 98 0 - 9.7-10.4 HB3 SER 94 - HB2 LEU 100 far 0 97 0 - 9.8-10.6 HB2 SER 106 - HB2 LEU 100 far 0 100 0 - 10.0-12.6 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): 1 out of 8 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 far 0 87 0 - 4.5-5.3 HB2 LEU 96 - HB2 LEU 100 far 0 100 0 - 6.3-7.1 HB2 LEU 96 - HB3 LEU 123 far 0 78 0 - 7.5-8.5 QB ALA 15 - HB2 LEU 100 far 0 100 0 - 7.6-34.9 HG3 LYS 95 - HB2 LEU 100 far 0 99 0 - 9.6-10.8 QB ALA 16 - HB2 LEU 100 far 0 71 0 - 9.7-38.4 HG LEU 96 - HB3 LEU 123 far 0 61 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 3236 from cnoeabs.peaks (1.78, 1.82, 41.28 ppm; 4.35 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.5-2.6 3.0=100 HB3 LEU 122 + HB3 LEU 123 OK 24 63 90 42 4.4-6.3 7744/3.9=37, ~1970=7 HB3 LEU 122 - HB2 LEU 100 far 4 89 5 - 4.8-7.7 HB3 LEU 103 - HB2 LEU 100 far 0 90 0 - 5.0-5.5 HB3 LEU 98 - HB2 LEU 100 far 0 99 0 - 6.5-7.1 HG LEU 100 - HB3 LEU 123 far 0 78 0 - 8.0-9.8 HB2 LEU 48 - HB3 LEU 123 far 0 77 0 - 9.0-10.4 HB3 LEU 103 - HB3 LEU 123 far 0 64 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 3237 from cnoeabs.peaks (0.68, 1.82, 41.28 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 100 + HB2 LEU 100 OK 100 100 100 100 3.1-3.2 3.2=100 QD2 LEU 62 - HB3 LEU 123 far 12 77 15 - 4.6-5.5 QD2 LEU 100 - HB3 LEU 123 far 0 78 0 - 7.3-9.2 QD2 LEU 62 - HB2 LEU 100 far 0 100 0 - 9.1-9.7 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 2.0-2.2 3.2=100 QD1 LEU 100 - HB3 LEU 123 far 0 78 0 - 7.9-9.5 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 2.4-2.6 4.6=100 H LYS 95 - HB2 LEU 100 far 0 65 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 3240 from cnoeabs.peaks (3.76, 1.38, 41.28 ppm; 5.05 A): 3 out of 6 assignments used, quality = 1.00: * HA GLU 97 + HB3 LEU 100 OK 100 100 100 100 3.7-4.3 3115/1.8=98...(23) HA GLU 97 + HB2 LEU 96 OK 87 87 100 100 5.3-5.5 11809/3.2=70...(34) HB2 SER 99 + HB2 LEU 96 OK 70 86 85 96 5.1-6.1 3208/3.0=43...(16) HB2 SER 99 - HB3 LEU 100 far 0 100 0 - 5.8-7.4 HB3 SER 130 - HB2 LEU 96 far 0 79 0 - 9.1-10.6 HA SER 130 - HB2 LEU 96 far 0 65 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 3241 from cnoeabs.peaks (8.49, 1.38, 41.28 ppm; 4.37 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 100 + HB3 LEU 100 OK 100 100 100 100 3.5-3.6 3.9=100 H GLU 97 + HB2 LEU 96 OK 77 78 100 99 4.2-4.3 4.4=99 H LEU 100 - HB2 LEU 96 far 0 87 0 - 5.7-6.3 H GLU 97 - HB3 LEU 100 far 0 95 0 - 6.5-7.0 H LEU 70 - HB3 LEU 100 far 0 78 0 - 7.0-7.7 H LEU 70 - HB2 LEU 96 far 0 61 0 - 7.0-7.5 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 9 assignments used, quality = 1.00: * HA LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.6-2.7 3.0=100 HA LEU 100 - HB2 LEU 96 far 0 87 0 - 7.3-7.9 HB3 SER 107 - HB3 LEU 100 far 0 100 0 - 7.9-10.3 HA GLN 127 - HB2 LEU 96 far 0 83 0 - 7.9-8.5 HB3 SER 94 - HB2 LEU 96 far 0 80 0 - 8.1-9.0 HA THR 65 - HB3 LEU 100 far 0 98 0 - 8.9-9.6 HB2 SER 106 - HB3 LEU 100 far 0 100 0 - 9.6-11.9 HA GLU 91 - HB2 LEU 96 far 0 67 0 - 9.7-10.3 HB3 SER 106 - HB3 LEU 100 far 0 89 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 3243 from cnoeabs.peaks (1.82, 1.38, 41.28 ppm; 3.40 A): 1 out of 8 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 far 0 60 0 - 4.1-4.6 HB3 LEU 122 - HB2 LEU 96 far 0 48 0 - 4.3-5.7 HB3 LEU 122 - HB3 LEU 100 far 0 63 0 - 5.8-8.1 HB2 LEU 100 - HB2 LEU 96 far 0 87 0 - 6.3-7.1 HB VAL 93 - HB2 LEU 96 far 0 85 0 - 6.7-7.1 HB3 LEU 123 - HB2 LEU 96 far 0 64 0 - 7.5-8.5 HB3 LEU 103 - HB2 LEU 96 far 0 46 0 - 9.4-10.2 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): 2 out of 8 assignments used, quality = 1.00: * HG LEU 100 + HB3 LEU 100 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 103 + HB3 LEU 100 OK 21 90 25 91 4.1-4.6 3261/3260=22...(22) HB3 LEU 122 - HB2 LEU 96 far 4 71 5 - 4.3-5.7 HG LEU 100 - HB2 LEU 96 far 0 87 0 - 5.0-5.9 HB3 LEU 122 - HB3 LEU 100 far 0 89 0 - 5.8-8.1 HB3 LEU 98 - HB3 LEU 100 far 0 99 0 - 7.9-8.5 HB3 LEU 98 - HB2 LEU 96 far 0 83 0 - 8.6-9.4 HB3 LEU 103 - HB2 LEU 96 far 0 73 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 3246 from cnoeabs.peaks (0.68, 1.38, 41.28 ppm; 3.91 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.1-2.3 3.2=100 QD2 LEU 100 - HB2 LEU 96 far 0 87 0 - 5.8-6.6 QD2 LEU 62 - HB2 LEU 96 far 0 86 0 - 8.6-9.3 QD2 LEU 62 - HB3 LEU 100 far 0 100 0 - 8.6-9.2 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 2.5-2.7 3.2=100 QD1 LEU 100 - HB2 LEU 96 far 4 87 5 - 4.3-4.8 Violated in 0 structures by 0.00 A. Peak 3248 from cnoeabs.peaks (7.68, 1.38, 41.28 ppm; 4.77 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 101 + HB3 LEU 100 OK 100 100 100 100 2.8-3.1 4.6=100 H LYS 95 - HB2 LEU 96 far 3 50 5 - 5.3-5.7 H GLN 101 - HB2 LEU 96 far 0 87 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 3249 from cnoeabs.peaks (8.49, 1.78, 26.11 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 100 + HG LEU 100 OK 100 100 100 100 2.6-3.1 7399=100, 3257/2.1=77...(36) H GLU 97 - HG LEU 100 far 0 95 0 - 5.3-6.2 H LEU 70 - HG LEU 100 far 0 78 0 - 6.5-7.3 Violated in 0 structures by 0.00 A. Peak 3250 from cnoeabs.peaks (3.96, 1.78, 26.11 ppm; 5.12 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 100 + HG LEU 100 OK 100 100 100 100 2.4-2.8 3.7=100 HA THR 65 - HG LEU 100 far 0 98 0 - 8.1-8.7 HB3 SER 107 - HG LEU 100 far 0 100 0 - 8.3-10.7 Violated in 0 structures by 0.00 A. Peak 3251 from cnoeabs.peaks (1.82, 1.78, 26.11 ppm; 4.35 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 100 + HG LEU 100 OK 100 100 100 100 2.5-2.6 3.0=100 HB3 LEU 103 + HG LEU 100 OK 29 60 65 75 4.4-5.1 3259/2.1=26, 3222/3.7=21...(9) HB3 LEU 122 - HG LEU 100 poor 16 63 25 - 3.1-5.3 HB3 LEU 123 - HG LEU 100 far 0 81 0 - 8.0-9.8 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 5 assignments used, quality = 1.00: * HB3 LEU 100 + HG LEU 100 OK 100 100 100 100 3.0-3.0 3.0=100 HG LEU 96 + HG LEU 100 OK 71 87 85 96 4.1-5.3 11918/2.1=55...(18) HB2 LEU 96 - HG LEU 100 far 15 100 15 - 5.0-5.9 QB ALA 15 - HG LEU 100 far 0 100 0 - 8.6-36.3 HG3 LYS 95 - HG LEU 100 far 0 99 0 - 10.0-11.2 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): 1 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 far 0 100 0 - 7.0-7.7 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; 4.06 A increased from 3.82 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 100 + QD2 LEU 100 OK 100 100 100 100 3.9-4.2 7400=95, 7399/2.1=82...(26) H LEU 70 - QD2 LEU 100 far 0 78 0 - 5.3-5.9 H GLU 97 - QD2 LEU 100 far 0 95 0 - 6.4-6.7 H ASP 47 - QD2 LEU 62 far 0 31 0 - 8.8-9.2 H LEU 100 - QD2 LEU 62 far 0 66 0 - 8.9-9.6 H LEU 70 - QD2 LEU 62 far 0 45 0 - 9.9-10.3 Violated in 2 structures by 0.01 A. Peak 3258 from cnoeabs.peaks (3.96, 0.68, 23.54 ppm; 3.08 A): 1 out of 16 assignments used, quality = 0.99: * HA LEU 100 + QD2 LEU 100 OK 99 100 100 99 2.0-2.5 3225=72, 3.0/3260=47...(23) HA THR 65 - QD2 LEU 100 far 0 98 0 - 5.4-5.9 HB2 SER 51 - QD2 LEU 62 far 0 50 0 - 5.7-6.2 HB3 SER 107 - QD2 LEU 100 far 0 100 0 - 6.0-7.8 HA THR 65 - QD2 LEU 62 far 0 62 0 - 6.0-6.5 HB3 SER 51 - QD2 LEU 62 far 0 48 0 - 6.3-7.1 HA2 GLY 111 - QD2 LEU 62 far 0 31 0 - 6.5-8.6 HA3 GLY 111 - QD2 LEU 62 far 0 54 0 - 7.5-10.1 HA LEU 100 - QD2 LEU 62 far 0 66 0 - 7.6-8.1 HB3 SER 107 - QD2 LEU 62 far 0 66 0 - 7.8-9.3 HB2 SER 106 - QD2 LEU 100 far 0 100 0 - 8.3-10.1 HB3 SER 106 - QD2 LEU 100 far 0 89 0 - 8.4-10.3 HD3 PRO 113 - QD2 LEU 62 far 0 41 0 - 8.7-10.9 HA GLN 127 - QD2 LEU 62 far 0 63 0 - 8.9-9.6 HA2 GLY 111 - QD2 LEU 100 far 0 57 0 - 9.8-12.6 HD3 PRO 117 - QD2 LEU 100 far 0 98 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 3259 from cnoeabs.peaks (1.82, 0.68, 23.54 ppm; 3.31 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 100 + QD2 LEU 100 OK 100 100 100 100 3.1-3.2 3.2=100 HB3 LEU 103 + QD2 LEU 100 OK 38 60 100 64 3.0-3.6 3222/3258=14...(11) HB3 LEU 122 - QD2 LEU 100 far 0 63 0 - 3.9-5.6 HB3 LEU 122 - QD2 LEU 62 far 0 35 0 - 4.4-7.5 HB3 LEU 123 - QD2 LEU 62 far 0 47 0 - 4.6-5.5 HB3 LEU 123 - QD2 LEU 100 far 0 81 0 - 7.3-9.2 HB3 LEU 103 - QD2 LEU 62 far 0 33 0 - 7.3-7.9 HB2 LEU 100 - QD2 LEU 62 far 0 66 0 - 9.1-9.7 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 11 assignments used, quality = 1.00: * HB3 LEU 100 + QD2 LEU 100 OK 100 100 100 100 2.1-2.3 3.2=100 HG LEU 96 - QD2 LEU 100 far 0 87 0 - 5.0-5.8 HB2 LEU 96 - QD2 LEU 100 far 0 100 0 - 5.8-6.6 QB ALA 109 - QD2 LEU 62 far 0 62 0 - 7.2-8.3 QB ALA 15 - QD2 LEU 100 far 0 100 0 - 7.5-29.8 QB ALA 109 - QD2 LEU 100 far 0 98 0 - 8.5-9.4 HB2 LEU 96 - QD2 LEU 62 far 0 66 0 - 8.6-9.3 HB3 LEU 100 - QD2 LEU 62 far 0 66 0 - 8.6-9.2 QB ALA 110 - QD2 LEU 62 far 0 66 0 - 9.1-10.3 QB ALA 108 - QD2 LEU 100 far 0 100 0 - 9.1-9.9 HG LEU 96 - QD2 LEU 62 far 0 51 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 3261 from cnoeabs.peaks (1.78, 0.68, 23.54 ppm; 2.97 A): 2 out of 9 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 50 90 90 61 3.0-3.6 3224/3258=12...(14) HB3 LEU 122 - QD2 LEU 100 far 0 89 0 - 3.9-5.6 HB3 LEU 122 - QD2 LEU 62 far 0 53 0 - 4.4-7.5 HB2 LEU 48 - QD2 LEU 62 far 0 66 0 - 5.3-5.8 HG LEU 100 - QD2 LEU 62 far 0 66 0 - 7.0-7.7 HB3 LEU 103 - QD2 LEU 62 far 0 54 0 - 7.3-7.9 HB3 LEU 98 - QD2 LEU 100 far 0 99 0 - 8.1-8.8 HB2 LEU 48 - QD2 LEU 100 far 0 100 0 - 8.1-9.0 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 0 66 0 - 6.7-7.3 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 2 assignments used, quality = 1.00: * H GLN 101 + QD2 LEU 100 OK 100 100 100 100 4.4-4.6 3.6/3258=82, 7411/3.2=71...(28) H LYS 95 - QD2 LEU 100 far 0 65 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 3265 from cnoeabs.peaks (8.49, 0.60, 25.62 ppm; 4.00 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 100 + QD1 LEU 100 OK 100 100 100 100 3.3-3.7 7401=89, 7399/2.1=81...(31) H GLU 97 + QD1 LEU 100 OK 94 95 100 100 4.1-4.4 2.8/10036=64...(25) H LEU 70 + QD1 LEU 100 OK 76 78 100 97 3.6-4.1 11094=54, 2268/11115=47...(14) H ASP 47 - QD1 LEU 100 far 0 57 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 3266 from cnoeabs.peaks (3.96, 0.60, 25.62 ppm; 4.23 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 100 + QD1 LEU 100 OK 100 100 100 100 3.8-3.8 4.0=100 HA THR 65 - QD1 LEU 100 far 0 98 0 - 6.1-6.5 HB3 SER 107 - QD1 LEU 100 far 0 100 0 - 8.5-10.4 HB3 SER 94 - QD1 LEU 100 far 0 97 0 - 8.7-9.1 HA GLN 127 - QD1 LEU 100 far 0 99 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 3267 from cnoeabs.peaks (1.82, 0.60, 25.62 ppm; 3.57 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 100 + QD1 LEU 100 OK 100 100 100 100 2.0-2.2 3.2=100 HB3 LEU 122 - QD1 LEU 100 far 3 63 5 - 4.0-5.9 HB3 LEU 103 - QD1 LEU 100 far 0 60 0 - 5.4-5.8 HB VAL 93 - QD1 LEU 100 far 0 99 0 - 7.8-8.2 HB3 LEU 123 - QD1 LEU 100 far 0 81 0 - 7.9-9.5 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 8 assignments used, quality = 1.00: * HB3 LEU 100 + QD1 LEU 100 OK 100 100 100 100 2.5-2.7 3.2=100 HG LEU 96 + QD1 LEU 100 OK 83 87 100 96 2.7-3.3 11106/11115=43...(28) HB2 LEU 96 - QD1 LEU 100 far 0 100 0 - 4.3-4.8 QB ALA 15 - QD1 LEU 100 far 0 100 0 - 5.6-28.7 QB ALA 16 - QD1 LEU 100 far 0 71 0 - 8.2-31.6 HG3 LYS 95 - QD1 LEU 100 far 0 99 0 - 8.6-9.6 HG2 LYS 95 - QD1 LEU 100 far 0 99 0 - 8.9-9.7 QB ALA 12 - QD1 LEU 100 far 0 83 0 - 9.4-25.1 Violated in 0 structures by 0.00 A. Peak 3269 from cnoeabs.peaks (1.78, 0.60, 25.62 ppm; 3.47 A): 1 out of 5 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 122 - QD1 LEU 100 far 4 89 5 - 4.0-5.9 HB3 LEU 103 - QD1 LEU 100 far 0 90 0 - 5.4-5.8 HB3 LEU 98 - QD1 LEU 100 far 0 99 0 - 7.1-7.6 HB2 LEU 48 - QD1 LEU 100 far 0 100 0 - 8.7-9.6 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 0 100 0 - 6.7-7.3 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 4.1-4.4 7415=100, 3264/2.1=95...(27) H LYS 95 - QD1 LEU 100 far 0 65 0 - 7.3-7.6 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): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 101 + HA GLN 101 OK 100 100 100 100 2.3-2.5 3.0=100 HB3 GLN 104 - HA GLN 101 far 0 90 0 - 4.8-5.9 HB2 GLN 104 - HA GLN 101 far 0 89 0 - 4.9-5.7 HB3 GLU 102 - HA GLN 101 far 0 76 0 - 5.5-6.6 HB3 GLU 97 - HA GLN 101 far 0 97 0 - 6.5-7.7 HB2 GLN 82 - HA CYS 79 far 0 83 0 - 9.6-11.4 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 2 assignments used, quality = 1.00: * HB3 GLN 101 + HA GLN 101 OK 100 100 100 100 2.4-2.7 3.0=100 HG2 GLU 97 - HA GLN 101 far 0 60 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 3277 from cnoeabs.peaks (2.42, 4.10, 58.80 ppm; 3.77 A increased from 3.55 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 101 + HA GLN 101 OK 100 100 100 100 3.5-4.0 3.8=99, 1.8/3278=75...(14) HG3 GLU 97 - HA GLN 101 far 0 100 0 - 8.6-9.8 HG3 GLN 82 - HA CYS 79 far 0 51 0 - 9.8-11.6 Violated in 2 structures by 0.02 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 3.6-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 3281 from cnoeabs.peaks (7.85, 4.10, 58.80 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 102 + HA GLN 101 OK 100 100 100 100 3.4-3.5 3.5=100 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 3 assignments used, quality = 0.98: * H GLN 104 + HA GLN 101 OK 98 100 100 98 3.8-4.6 7482=48, 7483/3.5=45...(14) H SER 106 - HA GLN 101 far 0 100 0 - 6.2-6.7 HD22 ASN 116 - HA GLN 101 far 0 83 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 3283 from cnoeabs.peaks (2.19, 4.10, 58.80 ppm; 3.76 A): 1 out of 4 assignments used, quality = 0.89: HB2 GLN 101 + HA GLN 101 OK 89 89 100 100 2.3-2.5 3.0=100 ! HB2 GLN 104 - HA GLN 101 far 0 100 0 - 4.9-5.7 HB3 GLU 97 - HA GLN 101 far 0 65 0 - 6.5-7.7 HB2 GLN 82 - HA CYS 79 far 0 75 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 3284 from cnoeabs.peaks (2.22, 4.10, 58.80 ppm; 3.92 A): 1 out of 5 assignments used, quality = 0.90: HB2 GLN 101 + HA GLN 101 OK 90 90 100 100 2.3-2.5 3.0=100 ! HB3 GLN 104 - HA GLN 101 far 0 100 0 - 4.8-5.9 HB3 GLU 102 - HA GLN 101 far 0 99 0 - 5.5-6.6 HB3 GLU 97 - HA GLN 101 far 0 99 0 - 6.5-7.7 HB2 GLN 82 - HA CYS 79 far 0 63 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 3285 from cnoeabs.peaks (4.11, 2.21, 27.91 ppm; 3.85 A): 1 out of 6 assignments used, quality = 1.00: HA GLN 101 + HB2 GLN 101 OK 100 100 100 100 2.3-2.5 3.0=100 ! HA LEU 98 - HB2 GLN 101 far 0 100 0 - 4.9-5.4 HA CYS 45 - HB2 GLN 68 far 0 41 0 - 5.9-6.6 HA GLN 104 - HB2 GLN 101 far 0 89 0 - 8.1-8.9 HA LEU 49 - HB2 GLN 68 far 0 51 0 - 8.5-10.1 HA LEU 48 - HB2 GLN 68 far 0 51 0 - 9.0-10.6 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 2 assignments used, quality = 1.00: * H GLN 101 + HB2 GLN 101 OK 100 100 100 100 3.0-3.6 7417=100, 7418/1.8=83...(24) H CYS 45 - HB2 GLN 68 far 0 48 0 - 6.5-8.1 Violated in 0 structures by 0.00 A. Peak 3287 from cnoeabs.peaks (4.10, 2.21, 27.91 ppm; 3.86 A): 1 out of 6 assignments used, quality = 1.00: * HA GLN 101 + HB2 GLN 101 OK 100 100 100 100 2.3-2.5 3.0=100 HA LEU 98 - HB2 GLN 101 far 0 100 0 - 4.9-5.4 HA CYS 45 - HB2 GLN 68 far 0 37 0 - 5.9-6.6 HA GLN 104 - HB2 GLN 101 far 0 93 0 - 8.1-8.9 HA LEU 49 - HB2 GLN 68 far 0 50 0 - 8.5-10.1 HA LEU 48 - HB2 GLN 68 far 0 49 0 - 9.0-10.6 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 4 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 2.3-3.0 3.0=82, 2160/3.0=21...(17) HG2 GLU 97 - HB2 GLN 101 far 0 60 0 - 8.4-10.1 HG2 GLN 61 - HB2 GLN 68 far 0 37 0 - 9.2-13.2 Violated in 0 structures by 0.00 A. Peak 3290 from cnoeabs.peaks (2.42, 2.21, 27.91 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 101 + HB2 GLN 101 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 GLU 97 - HB2 GLN 101 far 0 100 0 - 7.7-9.7 HG3 GLN 61 - HB2 GLN 68 far 0 47 0 - 9.3-11.6 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 2.6-3.0 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 2 assignments used, quality = 1.00: * HE21 GLN 101 + HB2 GLN 101 OK 100 100 100 100 4.1-4.6 4.5=100 QE TYR 72 + HB2 GLN 68 OK 43 43 100 100 1.9-5.0 9550/1.8=90, 9549/3.0=86...(15) 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 3.3-4.2 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 2 assignments used, quality = 1.00: * H GLU 102 + HB2 GLN 101 OK 100 100 100 100 3.8-4.4 7449/1.8=80, 4.7=72...(17) H GLN 68 + HB2 GLN 68 OK 44 44 100 100 2.1-3.6 3.7=100 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 GLN 101 + HB3 GLN 101 OK 100 100 100 100 2.4-2.7 3.0=100 * HA LEU 98 + HB3 GLN 101 OK 94 100 95 99 3.5-4.7 3157=79, 3155/7418=44...(12) HA GLN 104 - HB3 GLN 101 far 0 89 0 - 8.5-9.3 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 1 assignment used, quality = 1.00: * H GLN 101 + HB3 GLN 101 OK 100 100 100 100 2.2-3.5 7418=100, 7417/1.8=74...(25) 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 2.4-2.7 3.0=100 HA LEU 98 + HB3 GLN 101 OK 94 100 95 99 3.5-4.7 3157=79, 3155/7418=44...(12) HA GLN 104 - HB3 GLN 101 far 0 93 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 3298 from cnoeabs.peaks (2.21, 2.30, 27.91 ppm; 2.85 A): 1 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 far 0 97 0 - 4.6-6.5 HB3 GLU 102 - HB3 GLN 101 far 0 76 0 - 5.0-7.3 HB3 GLN 104 - HB3 GLN 101 far 0 90 0 - 7.1-8.4 HB2 GLN 104 - HB3 GLN 101 far 0 89 0 - 7.2-8.3 HB3 LEU 96 - HB3 GLN 101 far 0 57 0 - 10.0-11.7 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): 1 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 far 0 100 0 - 6.6-8.2 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 2.5-3.0 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 1 assignment used, quality = 1.00: * H GLU 102 + HB3 GLN 101 OK 100 100 100 100 3.6-4.0 7449=100, 3.1/7418=71...(16) Violated in 1 structures by 0.00 A. Peak 3305 from cnoeabs.peaks (7.68, 2.42, 33.80 ppm; 4.09 A increased from 3.64 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HG2 GLN 101 OK 100 100 100 100 1.9-4.1 7419=95, 3314/1.8=90...(24) H LYS 95 - HG2 GLN 101 far 0 65 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 3306 from cnoeabs.peaks (4.10, 2.42, 33.80 ppm; 3.87 A increased from 3.26 A): 2 out of 10 assignments used, quality = 1.00: * HA GLN 101 + HG2 GLN 101 OK 100 100 100 100 3.5-4.0 3.8=100 HA LEU 98 + HG2 GLN 101 OK 44 100 45 99 2.2-4.9 3157/2.9=53, 3315/1.8=43...(10) HA ALA 52 - HG3 GLN 61 far 0 46 0 - 5.4-6.8 HA LEU 49 - HG3 GLN 61 far 0 86 0 - 5.6-6.7 HA ILE 80 - HG2 GLN 82 far 0 40 0 - 7.8-9.2 HA LEU 48 - HG3 GLN 61 far 0 85 0 - 7.9-8.6 HA GLN 104 - HG2 GLN 101 far 0 93 0 - 8.6-9.7 HA PHE 89 - HG2 GLN 82 far 0 48 0 - 9.2-12.4 HA GLN 104 - HG3 GLN 61 far 0 77 0 - 9.8-10.8 HA CYS 45 - HG3 GLN 61 far 0 68 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 3307 from cnoeabs.peaks (2.21, 2.42, 33.80 ppm; 3.04 A): 2 out of 11 assignments used, quality = 1.00: * HB2 GLN 101 + HG2 GLN 101 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 GLN 82 + HG2 GLN 82 OK 60 60 100 100 2.2-2.8 2.9=100 HB3 GLU 97 - HG2 GLN 101 far 5 97 5 - 3.6-8.7 HB3 GLU 102 - HG2 GLN 101 far 0 76 0 - 3.8-6.3 HB2 GLN 104 - HG2 GLN 101 far 0 89 0 - 8.1-9.2 HB3 GLN 104 - HG2 GLN 101 far 0 90 0 - 8.3-9.0 HB3 LEU 96 - HG2 GLN 101 far 0 57 0 - 8.9-12.4 HB VAL 133 - HG2 GLN 82 far 0 49 0 - 9.0-12.1 HB2 GLN 68 - HG3 GLN 61 far 0 78 0 - 9.3-11.6 HG2 GLN 68 - HG3 GLN 61 far 0 55 0 - 9.5-11.3 HB3 GLN 104 - HG3 GLN 61 far 0 73 0 - 9.8-10.6 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 5 assignments used, quality = 0.99: * HB3 GLN 101 + HG2 GLN 101 OK 98 100 100 98 2.2-3.0 2.9=91, 3.0/3277=31...(10) 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 0 60 0 - 6.3-10.6 HB VAL 132 - HG2 GLN 82 far 0 44 0 - 7.5-10.5 HB3 GLN 134 - HG2 GLN 82 far 0 29 0 - 9.6-12.6 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 1 assignment used, quality = 1.00: * HE21 GLN 101 + HG2 GLN 101 OK 100 100 100 100 3.4-4.1 3.5=100 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 - 9.8-12.0 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 2.8-3.9 7450=100, 7451/1.8=90...(17) H ALA 88 - HG2 GLN 82 far 0 58 0 - 7.3-9.7 H GLN 68 - HG3 GLN 61 far 0 78 0 - 9.3-10.5 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 2.1-3.0 7420=94, 7418/2.9=57...(23) H LYS 95 - HG3 GLN 101 far 0 65 0 - 9.4-10.8 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 3.6-3.8 3278=69, 3277/1.8=58...(15) HA LEU 98 + HG3 GLN 101 OK 94 100 100 94 2.5-3.9 3157/2.9=38...(11) HA GLN 104 - HG3 GLN 101 far 0 93 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 3316 from cnoeabs.peaks (2.21, 2.56, 33.80 ppm; 3.11 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 101 + HG3 GLN 101 OK 100 100 100 100 2.6-3.0 2.9=100 HB3 GLU 102 - HG3 GLN 101 poor 13 76 30 59 3.2-4.9 3.8/7451=28, 3.0/3317=8...(15) HB3 GLU 97 - HG3 GLN 101 far 0 97 0 - 4.9-7.6 HB3 GLN 104 - HG3 GLN 101 far 0 90 0 - 7.9-9.1 HB2 GLN 104 - HG3 GLN 101 far 0 89 0 - 8.2-9.0 HB3 LEU 96 - HG3 GLN 101 far 0 57 0 - 9.4-10.9 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 2.5-3.0 2.9=100 HG2 GLU 97 - HG3 GLN 101 far 0 60 0 - 7.3-9.2 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 0 100 0 - 6.1-8.7 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 3.4-3.9 3.5=100 Violated in 0 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 2.1-3.2 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 1.9-2.7 7451=100, 7450/1.8=78...(20) 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 3 assignments used, quality = 1.00: * H GLU 102 + HA GLU 102 OK 100 100 100 100 2.9-2.9 2.9=100 H GLU 102 - HA LEU 96 far 0 75 0 - 7.9-8.4 H GLU 102 - HA LEU 122 far 0 99 0 - 8.6-9.6 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): 2 out of 15 assignments used, quality = 1.00: * HB2 GLU 102 + HA GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HB VAL 126 + HA LEU 122 OK 32 73 50 88 4.5-5.4 2.1/10397=36...(15) HB VAL 126 - HA LEU 96 far 0 49 0 - 6.1-6.8 HB VAL 118 - HA GLU 102 far 0 71 0 - 6.3-7.8 HB2 LEU 62 - HA LEU 122 far 0 68 0 - 7.2-10.0 HB2 GLU 128 - HA LEU 122 far 0 99 0 - 7.4-7.9 HB2 GLU 128 - HA LEU 96 far 0 75 0 - 7.7-8.3 HB VAL 118 - HA LEU 122 far 0 68 0 - 7.8-8.5 HG2 PRO 117 - HA GLU 102 far 0 63 0 - 7.9-9.7 HB2 GLU 102 - HA LEU 96 far 0 75 0 - 8.3-10.4 HB2 GLN 127 - HA LEU 122 far 0 68 0 - 8.6-9.3 HB2 GLU 102 - HA LEU 122 far 0 99 0 - 8.6-11.4 HB VAL 118 - HA LEU 96 far 0 46 0 - 8.9-9.5 HB2 LEU 62 - HA LEU 96 far 0 46 0 - 9.3-11.1 HG3 GLU 91 - HA LEU 96 far 0 42 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 3326 from cnoeabs.peaks (2.23, 4.05, 58.39 ppm; 3.82 A): 2 out of 14 assignments used, quality = 1.00: * HB3 GLU 102 + HA GLU 102 OK 100 100 100 100 2.4-2.9 3.0=100 HB3 LEU 96 + HA LEU 96 OK 72 72 100 100 2.8-2.9 3.0=100 HB3 LEU 96 - HA LEU 122 poor 19 97 20 - 4.2-4.8 HB2 GLN 101 - HA GLU 102 far 0 76 0 - 4.5-5.6 HB3 GLU 97 - HA LEU 96 far 0 66 0 - 6.3-6.6 HB3 GLN 127 - HA LEU 122 far 0 99 0 - 7.1-7.7 HB3 GLN 104 - HA GLU 102 far 0 99 0 - 7.1-7.6 HB3 GLU 97 - HA LEU 122 far 0 92 0 - 8.1-9.2 HB3 GLU 102 - HA LEU 96 far 0 75 0 - 8.1-10.5 HB3 GLN 127 - HA LEU 96 far 0 74 0 - 8.7-9.7 HB3 GLU 128 - HA LEU 122 far 0 98 0 - 9.0-9.6 HB3 GLU 102 - HA LEU 122 far 0 99 0 - 9.2-11.4 HB3 GLU 128 - HA LEU 96 far 0 74 0 - 9.3-10.0 HB3 GLU 97 - HA GLU 102 far 0 95 0 - 9.5-11.0 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 8 assignments used, quality = 1.00: * HG2 GLU 102 + HA GLU 102 OK 100 100 100 100 3.0-4.0 3.7=100 HG2 GLN 104 - HA GLU 102 far 0 76 0 - 4.8-5.9 HG2 GLU 102 - HA LEU 96 far 0 75 0 - 7.3-10.8 HG2 GLN 127 - HA LEU 122 far 0 98 0 - 7.5-9.9 HG2 GLU 102 - HA LEU 122 far 0 99 0 - 8.1-11.4 HG2 GLU 128 - HA LEU 122 far 0 87 0 - 8.1-10.1 HG2 GLU 128 - HA LEU 96 far 0 62 0 - 8.2-10.2 HG2 GLN 127 - HA LEU 96 far 0 74 0 - 8.7-12.1 Violated in 1 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 2.8-3.8 3.7=100 HG3 GLU 102 - HA LEU 96 far 0 75 0 - 8.2-9.7 HG3 GLU 102 - HA LEU 122 far 0 99 0 - 8.4-10.1 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 7 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 0 100 0 - 7.1-8.6 H ASN 120 - HA LEU 122 far 0 98 0 - 7.2-7.3 H LEU 103 - HA LEU 96 far 0 75 0 - 8.4-9.0 H LEU 103 - HA LEU 122 far 0 99 0 - 8.5-9.4 H ASN 120 - HA LEU 96 far 0 74 0 - 9.1-9.6 H ALA 109 - HA GLU 102 far 0 100 0 - 9.6-11.3 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 4 assignments used, quality = 1.00: * H VAL 105 + HA GLU 102 OK 100 100 100 100 3.5-4.1 7518=100, 3478/10086=96...(7) HD21 ASN 120 - HA LEU 122 far 0 87 0 - 7.5-10.7 HD21 ASN 120 - HA LEU 96 far 0 62 0 - 9.0-13.2 HD21 ASN 13 - HA GLU 102 far 0 78 0 - 9.4-38.0 Violated in 0 structures by 0.00 A. Peak 3331 from cnoeabs.peaks (2.26, 4.05, 58.39 ppm; 4.01 A): 3 out of 5 assignments used, quality = 1.00: * HB VAL 105 + HA GLU 102 OK 100 100 100 100 4.2-4.5 2.1/10086=89, 3465=68...(12) HB3 LEU 96 + HA LEU 96 OK 38 38 100 100 2.8-2.9 3.0=100 HB3 LEU 96 + HA LEU 122 OK 27 57 50 93 4.2-4.8 3.2/3100=27, 1.8/3067=24...(32) HG2 GLU 97 - HA LEU 96 far 0 73 0 - 5.3-5.8 HG2 GLU 97 - HA LEU 122 far 0 98 0 - 7.5-8.5 Violated in 0 structures by 0.00 A. Peak 3332 from cnoeabs.peaks (4.22, 2.08, 28.58 ppm; 4.27 A): 3 out of 6 assignments used, quality = 1.00: * HA SER 99 + HB2 GLU 102 OK 99 100 100 99 2.8-4.3 3206=81, 3207/1.8=71...(7) HA GLU 128 + HB2 GLU 128 OK 72 72 100 100 2.7-3.0 3.0=100 HA SER 124 + HB2 GLU 128 OK 24 68 45 79 4.5-5.4 4.9/3986=44...(6) HA VAL 105 - HB2 GLU 102 far 0 65 0 - 7.6-8.3 HA ALA 88 - HB2 GLU 128 far 0 85 0 - 7.9-9.6 HB3 SER 38 - HB3 GLU 44 far 0 79 0 - 8.2-10.2 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 3 assignments used, quality = 1.00: * H GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.6-3.4 3.8=100 H ALA 88 - HB3 GLN 82 far 0 79 0 - 8.5-9.9 H ALA 88 - HB2 GLU 128 far 0 93 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 3334 from cnoeabs.peaks (4.05, 2.08, 28.58 ppm; 4.97 A): 3 out of 13 assignments used, quality = 1.00: * HA GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HA GLU 44 + HB3 GLU 44 OK 81 81 100 100 2.3-3.0 3.0=100 HA ALA 92 + HB2 GLU 128 OK 61 95 65 100 5.0-6.1 2.1/10444=87, ~10447=58...(25) HD3 PRO 81 - HB3 GLN 82 far 0 72 0 - 5.7-7.4 HB3 SER 124 - HB2 GLU 128 far 0 72 0 - 6.3-7.0 HB THR 65 - HB3 GLN 61 far 0 51 0 - 6.7-7.6 HB THR 65 - HB2 GLN 61 far 0 62 0 - 7.2-7.9 HA LEU 122 - HB2 GLU 128 far 0 95 0 - 7.4-7.9 HA LEU 96 - HB2 GLU 128 far 0 91 0 - 7.7-8.3 HA LEU 119 - HB2 GLU 102 far 0 71 0 - 7.8-11.1 HA LEU 96 - HB2 GLU 102 far 0 98 0 - 8.3-10.4 HA LEU 119 - HB3 GLN 61 far 0 36 0 - 8.6-9.9 HA LEU 122 - HB2 GLU 102 far 0 100 0 - 8.6-11.4 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 14 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 0 95 0 - 4.8-5.9 HB2 GLN 101 - HB2 GLU 102 far 0 76 0 - 5.1-6.5 HB2 PRO 81 - HB3 GLN 82 far 0 48 0 - 5.2-6.0 HB3 LEU 96 - HB2 GLU 128 far 0 93 0 - 6.4-7.4 HG2 GLN 68 - HB3 GLU 44 far 0 81 0 - 6.8-9.8 HG2 GLU 91 - HB2 GLU 128 far 0 95 0 - 7.0-10.4 HB2 GLN 68 - HB3 GLU 44 far 0 75 0 - 7.9-11.0 HB3 GLN 104 - HB2 GLU 102 far 0 99 0 - 8.3-9.4 HB3 GLU 97 - HB2 GLU 102 far 0 95 0 - 8.6-10.4 HB3 GLN 104 - HB3 GLN 61 far 0 59 0 - 9.2-10.3 HB3 GLN 104 - HB2 GLN 61 far 0 71 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 3337 from cnoeabs.peaks (2.36, 2.08, 28.58 ppm; 4.25 A): 4 out of 7 assignments used, quality = 1.00: * HG2 GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.2-2.6 3.0=100 HG2 GLU 128 + HB2 GLU 128 OK 82 82 100 100 2.2-3.0 3.0=100 HG2 GLU 44 + HB3 GLU 44 OK 58 58 100 100 2.2-2.9 3.0=100 HG2 GLN 127 + HB2 GLU 128 OK 26 94 40 69 3.0-7.2 7846/3.6=28, 4081/3.0=18...(10) HG2 GLN 104 - HB2 GLU 102 far 0 76 0 - 6.0-7.4 HB2 PRO 117 - HB2 GLU 102 far 0 100 0 - 8.6-11.5 HB3 GLN 134 - HB3 GLN 82 far 0 42 0 - 9.1-12.5 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 4 assignments used, quality = 1.00: * HG3 GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 GLU 44 + HB3 GLU 44 OK 70 70 100 100 2.2-2.9 3.0=100 HG3 MET 11 - HB3 GLN 82 far 0 81 0 - 9.0-49.8 HG3 MET 11 - HB2 GLU 128 far 0 95 0 - 9.1-48.6 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 6 assignments used, quality = 1.00: * H LEU 103 + HB2 GLU 102 OK 100 100 100 100 2.9-4.4 4.6=100 HD22 ASN 85 + HB3 GLN 82 OK 81 81 100 100 2.3-4.8 9805=100, 1.7/9798=89...(18) H ASN 120 - HB2 GLU 102 far 0 100 0 - 8.4-11.8 H ALA 109 - HB3 GLN 61 far 0 61 0 - 8.7-10.8 H ALA 108 - HB2 GLU 102 far 0 100 0 - 8.9-10.5 H ALA 109 - HB2 GLN 61 far 0 73 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 3340 from cnoeabs.peaks (4.22, 2.23, 28.58 ppm; 4.52 A): 3 out of 9 assignments used, quality = 1.00: * HA SER 99 + HB3 GLU 102 OK 100 100 100 100 2.5-4.6 3207=99, 3206/1.8=77...(10) HA GLU 128 + HB3 GLU 128 OK 70 70 100 100 2.2-2.3 3.0=100 HA SER 94 + HB3 GLU 97 OK 69 70 100 100 4.5-4.9 11457/2.9=73...(10) HA SER 124 - HB3 GLU 128 far 7 66 10 - 5.1-6.1 HA HIS 67 - HB2 GLN 68 far 0 61 0 - 5.6-6.6 HA HIS 67 - HB3 GLU 97 far 0 82 0 - 5.6-7.0 HA VAL 105 - HB3 GLU 102 far 0 65 0 - 7.2-8.3 HA SER 99 - HB3 GLU 97 far 0 82 0 - 7.4-8.5 HA ALA 88 - HB3 GLU 128 far 0 83 0 - 7.7-8.6 Violated in 0 structures by 0.00 A. Peak 3341 from cnoeabs.peaks (7.85, 2.23, 28.58 ppm; 4.35 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.1-3.7 3.8=100 H GLN 68 + HB2 GLN 68 OK 53 53 100 100 2.1-3.6 3.7=100 H GLU 102 - HB3 GLU 97 far 0 82 0 - 6.9-8.3 H GLN 68 - HB3 GLU 97 far 0 73 0 - 8.9-10.4 H ALA 88 - HB3 GLU 128 far 0 91 0 - 9.5-10.4 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 2.4-2.9 3.0=100 HB THR 65 - HB2 GLN 68 far 0 51 0 - 5.9-7.9 HA ALA 92 - HB3 GLU 128 far 0 93 0 - 6.0-6.7 HA LEU 96 - HB3 GLU 97 far 0 77 0 - 6.3-6.6 HB2 SER 74 - HB3 GLU 97 far 0 66 0 - 6.9-9.0 HB3 SER 124 - HB3 GLU 128 far 0 70 0 - 6.9-7.9 HB3 SER 74 - HB3 GLU 97 far 0 65 0 - 7.6-9.5 HA LEU 122 - HB3 GLU 97 far 0 82 0 - 8.1-9.2 HA LEU 96 - HB3 GLU 102 far 0 98 0 - 8.1-10.5 HA LEU 122 - HB3 GLU 128 far 0 93 0 - 9.0-9.6 HA LEU 119 - HB3 GLU 102 far 0 71 0 - 9.0-10.2 HA LEU 122 - HB3 GLU 102 far 0 100 0 - 9.2-11.4 HA LEU 96 - HB3 GLU 128 far 0 89 0 - 9.3-10.0 HA GLU 102 - HB3 GLU 97 far 0 82 0 - 9.5-11.0 HA GLU 44 - HB2 GLN 68 far 0 61 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 3343 from cnoeabs.peaks (2.08, 2.23, 28.58 ppm; 2.84 A): 2 out of 10 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 far 0 61 0 - 4.9-6.4 HB VAL 118 - HB3 GLU 102 far 0 71 0 - 5.0-6.7 HG2 PRO 117 - HB3 GLU 102 far 0 63 0 - 5.6-7.9 HG3 GLU 91 - HB3 GLU 128 far 0 56 0 - 6.7-9.7 HB VAL 126 - HB3 GLU 128 far 0 66 0 - 7.8-8.4 HB3 GLU 44 - HB2 GLN 68 far 0 60 0 - 7.9-11.0 HB2 GLU 102 - HB3 GLU 97 far 0 82 0 - 8.6-10.4 HG3 GLN 134 - HB3 GLU 128 far 0 93 0 - 8.9-12.1 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): 3 out of 9 assignments used, quality = 1.00: * HG2 GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 128 + HB3 GLU 128 OK 80 80 100 100 2.2-3.0 3.0=100 HG2 GLN 127 + HB3 GLU 128 OK 22 93 40 61 3.6-7.9 7846/3.6=22, 4062=15...(8) HG2 GLN 104 - HB3 GLU 102 far 0 76 0 - 6.2-7.6 HG2 GLU 102 - HB3 GLU 97 far 0 82 0 - 7.6-11.8 HG2 GLN 104 - HB3 GLU 97 far 0 55 0 - 8.6-9.6 HB2 PRO 117 - HB3 GLU 102 far 0 100 0 - 8.6-10.7 HG2 GLU 44 - HB2 GLN 68 far 0 42 0 - 8.8-11.8 HB3 GLN 134 - HB3 GLU 128 far 0 51 0 - 9.8-12.3 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 4 assignments used, quality = 1.00: * HG3 GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLU 102 - HB3 GLU 97 far 0 82 0 - 7.6-10.7 HG3 MET 11 - HB3 GLU 128 far 0 93 0 - 8.6-49.2 HG3 MET 11 - HB3 GLU 97 far 0 82 0 - 9.4-36.1 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 5 assignments used, quality = 1.00: * H LEU 103 + HB3 GLU 102 OK 100 100 100 100 3.3-4.2 7469=100, 7471/3.0=58...(18) H ALA 108 - HB3 GLU 102 far 0 100 0 - 7.7-10.2 H LEU 103 - HB3 GLU 97 far 0 82 0 - 8.4-9.5 H ASN 120 - HB3 GLU 102 far 0 100 0 - 9.3-11.2 H ALA 109 - HB3 GLU 102 far 0 100 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 3348 from cnoeabs.peaks (7.85, 2.36, 34.65 ppm; 4.37 A increased from 4.11 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 102 + HG2 GLU 102 OK 100 100 100 100 1.9-4.4 7458/1.8=92, 7455/3.0=79...(12) Violated in 1 structures by 0.00 A. Peak 3349 from cnoeabs.peaks (4.05, 2.36, 34.65 ppm; 3.87 A increased from 3.64 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 102 + HG2 GLU 102 OK 100 100 100 100 3.0-4.0 3.7=100 HA LEU 96 - HG2 GLU 102 far 0 98 0 - 7.3-10.8 HA LEU 122 - HG2 GLU 102 far 0 100 0 - 8.1-11.4 HA LEU 119 - HG2 GLU 102 far 0 71 0 - 8.3-9.8 Violated in 2 structures by 0.01 A. Peak 3350 from cnoeabs.peaks (2.08, 2.36, 34.65 ppm; 3.68 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 102 + HG2 GLU 102 OK 100 100 100 100 2.2-2.6 3.0=100 HB VAL 118 - HG2 GLU 102 far 0 71 0 - 5.3-6.5 HG2 PRO 117 - HG2 GLU 102 far 0 63 0 - 5.4-8.1 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 2.3-3.0 3.0=100 HB2 GLN 101 - HG2 GLU 102 far 0 76 0 - 5.5-8.4 HB3 GLU 97 - HG2 GLU 102 far 0 95 0 - 7.6-11.8 HB3 GLN 104 - HG2 GLU 102 far 0 99 0 - 8.3-10.3 HB3 LEU 96 - HG2 GLU 102 far 0 99 0 - 9.8-13.4 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 4 assignments used, quality = 1.00: * H LEU 103 + HG2 GLU 102 OK 100 100 100 100 3.0-5.0 7471/1.8=92, 7469/3.0=86...(14) H ALA 108 - HG2 GLU 102 far 0 100 0 - 7.3-11.9 H ASN 120 - HG2 GLU 102 far 0 100 0 - 9.2-10.2 H ALA 109 - HG2 GLU 102 far 0 100 0 - 9.3-13.5 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 2.1-3.8 7458=100, 7455/3.0=67...(12) 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 5 assignments used, quality = 1.00: * HA GLU 102 + HG3 GLU 102 OK 100 100 100 100 2.8-3.8 3.7=100 HA GLU 44 + HG3 GLU 44 OK 80 80 100 100 2.4-4.0 3.7=100 HA LEU 119 - HG3 GLU 102 far 0 71 0 - 7.6-10.3 HA LEU 96 - HG3 GLU 102 far 0 98 0 - 8.2-9.7 HA LEU 122 - HG3 GLU 102 far 0 100 0 - 8.4-10.1 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 7 assignments used, quality = 1.00: * HB2 GLU 102 + HG3 GLU 102 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 GLU 44 + HG3 GLU 44 OK 80 80 100 100 2.2-2.9 3.0=100 HB VAL 118 - HG3 GLU 102 poor 18 71 25 - 4.2-7.1 HG2 PRO 117 - HG3 GLU 102 far 0 63 0 - 5.7-8.9 HB3 LYS 39 - HG3 GLU 44 far 0 80 0 - 7.2-8.6 HG3 GLN 134 - HG3 GLU 44 far 0 81 0 - 8.3-12.6 HB2 LEU 62 - HG3 GLU 102 far 0 71 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 3358 from cnoeabs.peaks (2.23, 2.52, 34.65 ppm; 3.50 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 102 + HG3 GLU 102 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 101 - HG3 GLU 102 far 0 76 0 - 4.3-8.0 HB3 GLU 97 - HG3 GLU 102 far 0 95 0 - 7.6-10.7 HB3 GLN 104 - HG3 GLU 102 far 0 99 0 - 8.1-9.1 HG2 GLN 68 - HG3 GLU 44 far 0 80 0 - 9.1-11.0 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 5 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 104 - HG3 GLU 102 far 0 76 0 - 6.1-6.9 HB2 PRO 117 - HG3 GLU 102 far 0 100 0 - 8.5-11.6 HB3 GLN 134 - HG3 GLU 44 far 0 41 0 - 8.8-13.2 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 4 assignments used, quality = 1.00: * H LEU 103 + HG3 GLU 102 OK 100 100 100 100 2.7-4.3 7471=100, 3.0/7458=94...(15) H ALA 108 - HG3 GLU 102 far 0 100 0 - 7.6-11.3 H ASN 120 - HG3 GLU 102 far 0 100 0 - 8.5-11.1 H ALA 109 - HG3 GLU 102 far 0 100 0 - 9.3-13.3 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 2.8-2.9 3.0=100 H ALA 108 - HA LEU 103 far 10 100 10 - 4.5-6.5 H ALA 109 - HA LEU 103 far 0 100 0 - 6.1-7.7 H ASN 120 - HA LEU 103 far 0 100 0 - 8.0-9.0 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 2.4-2.5 3.0=100 HG LEU 103 + HA LEU 103 OK 81 81 100 100 2.9-3.4 4.3=90, 2.1/3367=87...(17) HG LEU 122 - HA LEU 103 far 0 65 0 - 6.2-7.9 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 5 assignments used, quality = 1.00: * HB3 LEU 103 + HA LEU 103 OK 100 100 100 100 3.0-3.0 3.0=100 HG LEU 100 - HA LEU 103 far 0 90 0 - 7.1-7.8 HB2 LEU 100 - HA LEU 103 far 0 60 0 - 7.5-7.9 HB3 LEU 122 - HA LEU 103 far 0 100 0 - 7.8-9.2 HB3 LEU 98 - HA LEU 103 far 0 99 0 - 8.9-11.4 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 2.9-3.4 4.3=100 HB2 LEU 103 + HA LEU 103 OK 81 81 100 100 2.4-2.5 3.0=100 HB2 LEU 119 - HA LEU 103 far 0 97 0 - 7.7-8.9 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 = 0.99: * QD1 LEU 103 + HA LEU 103 OK 99 100 100 99 2.0-2.3 3397=66, 3398/3.0=33...(18) QD2 LEU 122 - HA LEU 103 far 0 100 0 - 4.7-6.8 QD2 LEU 119 - HA LEU 103 far 0 85 0 - 5.4-6.7 QD1 LEU 122 - HA LEU 103 far 0 71 0 - 5.4-7.8 QG1 VAL 63 - HA LEU 103 far 0 100 0 - 5.5-6.4 QD2 LEU 49 - HA LEU 103 far 0 92 0 - 8.4-9.2 QD1 LEU 96 - HA LEU 103 far 0 97 0 - 8.5-9.6 QD1 LEU 53 - HA LEU 103 far 0 96 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 3368 from cnoeabs.peaks (0.74, 4.02, 57.03 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 103 + HA LEU 103 OK 100 100 100 100 3.9-4.0 4.1=89, 2.1/3397=60...(17) Violated in 1 structures by 0.00 A. Peak 3369 from cnoeabs.peaks (7.90, 4.02, 57.03 ppm; 4.36 A): 3 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 86 100 100 86 3.3-3.8 7535/7520=44...(6) HD22 ASN 116 + HA LEU 103 OK 60 83 100 72 3.2-4.9 3403/3367=28...(6) H THR 115 - HA LEU 103 far 0 99 0 - 9.3-12.2 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 6 assignments used, quality = 1.00: * HA LEU 100 + HB2 LEU 103 OK 100 100 100 100 2.9-3.4 7463/7473=73...(19) HB3 SER 107 + HB2 LEU 103 OK 75 100 80 94 3.7-6.6 10106/3.2=65...(14) HB2 SER 106 + HB2 LEU 103 OK 62 100 70 90 5.2-7.7 11536=46, 10096/3.2=38...(9) HB3 SER 106 - HB2 LEU 103 far 9 89 10 - 5.5-7.6 HD3 PRO 117 - HB2 LEU 103 far 0 98 0 - 7.2-8.1 HA2 GLY 111 - HB2 LEU 103 far 0 57 0 - 9.6-13.2 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 2.6-2.8 3.9=100 H ALA 108 - HB2 LEU 103 far 0 100 0 - 6.6-8.4 H ASN 120 - HB2 LEU 103 far 0 100 0 - 6.7-7.8 H ALA 109 - HB2 LEU 103 far 0 100 0 - 7.7-9.5 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 2.4-2.5 3.0=100 HB3 SER 99 + HB2 LEU 103 OK 32 97 70 47 3.8-5.4 10270/10263=20...(6) HA LEU 119 - HB2 LEU 103 far 10 98 10 - 4.4-5.7 HA SER 60 - HB2 LEU 103 far 0 99 0 - 6.7-8.1 HA LEU 96 - HB2 LEU 103 far 0 71 0 - 7.8-8.6 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 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 far 0 90 0 - 4.8-5.7 HB3 LEU 122 - HB2 LEU 103 far 0 100 0 - 5.6-6.9 HB2 LEU 100 - HB2 LEU 103 far 0 60 0 - 5.7-6.4 HB3 LEU 98 - HB2 LEU 103 far 0 99 0 - 8.2-10.6 HB3 LEU 123 - HB2 LEU 103 far 0 38 0 - 9.0-10.8 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): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 103 + HB2 LEU 103 OK 100 100 100 100 2.2-2.4 3.2=100 QD2 LEU 122 + HB2 LEU 103 OK 24 100 40 61 2.7-4.9 11612/10261=11, ~3895=8...(23) QD1 LEU 122 - HB2 LEU 103 poor 20 71 55 51 3.4-5.8 3895/1.8=7, 3409/3.1=7...(19) QG1 VAL 63 - HB2 LEU 103 far 0 100 0 - 4.8-5.6 QD2 LEU 119 - HB2 LEU 103 far 0 85 0 - 4.8-6.3 QD2 LEU 49 - HB2 LEU 103 far 0 92 0 - 6.5-7.2 QD1 LEU 96 - HB2 LEU 103 far 0 97 0 - 6.6-7.6 QD1 LEU 53 - HB2 LEU 103 far 0 96 0 - 7.0-8.8 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 2.3-2.6 3.1=100 QD2 LEU 96 - HB2 LEU 103 far 0 99 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 3378 from cnoeabs.peaks (7.90, 1.58, 41.89 ppm; 4.43 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 104 + HB2 LEU 103 OK 100 100 100 100 3.5-3.9 7488/1.8=92, 4.6=89...(24) HD22 ASN 116 + HB2 LEU 103 OK 27 83 35 95 4.7-5.7 10278/10263=59...(10) H SER 106 - HB2 LEU 103 far 0 100 0 - 5.5-5.9 H THR 115 - HB2 LEU 103 far 0 99 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 3379 from cnoeabs.peaks (3.96, 1.79, 41.89 ppm; 5.19 A): 5 out of 17 assignments used, quality = 1.00: * HA LEU 100 + HB3 LEU 103 OK 100 100 100 100 2.2-2.6 7463/7474=75...(20) HB3 SER 107 + HB3 LEU 103 OK 86 100 90 95 3.8-6.4 10106/3.2=66...(15) HA THR 65 + HB2 LEU 48 OK 66 66 100 100 4.8-5.5 3.2/10991=65, ~9441=46...(33) HB2 SER 51 + HB2 LEU 48 OK 53 53 100 99 4.5-5.1 1615/3.0=66, ~1621=65...(8) HB3 SER 51 + HB2 LEU 48 OK 41 51 80 99 5.5-6.2 1621/3.0=66, ~1615=63...(8) HA LEU 100 - HB3 LEU 122 far 15 100 15 - 4.4-6.6 HB2 SER 106 - HB3 LEU 103 far 0 100 0 - 5.9-8.2 HB3 SER 94 - HB3 LEU 98 far 0 85 0 - 6.1-8.0 HB3 SER 106 - HB3 LEU 103 far 0 89 0 - 6.1-8.3 HA LEU 100 - HB3 LEU 98 far 0 92 0 - 7.5-8.4 HA GLN 127 - HB3 LEU 122 far 0 98 0 - 8.7-10.5 HD3 PRO 117 - HB3 LEU 103 far 0 98 0 - 8.7-9.7 HB3 SER 107 - HB3 LEU 122 far 0 100 0 - 9.2-11.5 HA THR 65 - HB3 LEU 122 far 0 98 0 - 9.2-10.7 HA GLN 127 - HB2 LEU 48 far 0 67 0 - 9.4-10.4 HB2 SER 106 - HB3 LEU 98 far 0 90 0 - 9.6-14.6 HA2 GLY 111 - HB3 LEU 103 far 0 57 0 - 10.0-13.1 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 7 assignments used, quality = 1.00: * H LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.3-2.5 3.9=100 H ASN 120 - HB3 LEU 122 far 0 99 0 - 5.5-6.8 H ALA 108 - HB3 LEU 103 far 0 100 0 - 6.3-8.2 H LEU 103 - HB3 LEU 122 far 0 100 0 - 6.5-8.9 H LEU 103 - HB3 LEU 98 far 0 92 0 - 7.0-8.8 H ALA 109 - HB3 LEU 103 far 0 100 0 - 7.7-9.7 H ASN 120 - HB3 LEU 103 far 0 100 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 3381 from cnoeabs.peaks (4.02, 1.79, 41.89 ppm; 4.43 A): 4 out of 20 assignments used, quality = 1.00: * HA LEU 103 + HB3 LEU 103 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 119 + HB3 LEU 122 OK 96 98 100 99 3.6-5.0 3764=95, 3762/3.5=46...(11) HA LYS 95 + HB3 LEU 98 OK 91 91 100 100 4.1-4.6 2963=94, 3158/1.8=91...(23) HB3 SER 99 + HB3 LEU 122 OK 48 96 50 100 3.5-6.2 11702/3.1=58...(21) HB3 SER 99 - HB3 LEU 103 poor 19 97 30 64 4.8-6.5 3372/1.8=21...(9) HA LEU 96 - HB3 LEU 122 far 4 70 5 - 3.3-5.7 HB3 SER 99 - HB3 LEU 98 far 0 85 0 - 5.1-7.2 HA SER 60 - HB3 LEU 103 far 0 99 0 - 5.6-7.0 HA LEU 119 - HB3 LEU 103 far 0 98 0 - 5.7-6.8 HA SER 50 - HB3 LEU 122 far 0 82 0 - 6.1-9.8 HA LEU 96 - HB3 LEU 98 far 0 59 0 - 6.4-7.5 HB3 SER 124 - HB3 LEU 122 far 0 94 0 - 7.0-8.0 HA LYS 95 - HB3 LEU 122 far 0 100 0 - 7.3-10.2 HB2 SER 124 - HB3 LEU 122 far 0 80 0 - 7.3-8.3 HA SER 50 - HB2 LEU 48 far 0 51 0 - 7.5-7.9 HA LEU 103 - HB3 LEU 122 far 0 100 0 - 7.8-9.2 HA LEU 96 - HB3 LEU 103 far 0 71 0 - 8.2-9.1 HA LEU 103 - HB3 LEU 98 far 0 92 0 - 8.9-11.4 HA GLN 68 - HB2 LEU 48 far 0 46 0 - 9.3-10.3 HA SER 60 - HB3 LEU 122 far 0 99 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 3382 from cnoeabs.peaks (1.58, 1.79, 41.89 ppm; 3.20 A): 3 out of 13 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 2.4-2.6 3.0=100 HG LEU 122 + HB3 LEU 122 OK 65 65 100 100 2.2-2.8 3.0=100 HG LEU 49 - HB2 LEU 48 far 0 69 0 - 3.9-4.7 HG LEU 122 - HB3 LEU 103 far 0 65 0 - 4.8-6.5 HG LEU 49 - HB3 LEU 122 far 0 99 0 - 5.3-8.0 HB2 LEU 103 - HB3 LEU 122 far 0 100 0 - 5.6-6.9 HG LEU 123 - HB3 LEU 122 far 0 97 0 - 6.3-8.1 HG LEU 103 - HB3 LEU 122 far 0 80 0 - 7.2-8.4 HG LEU 122 - HB3 LEU 98 far 0 55 0 - 8.0-10.2 HB2 LEU 103 - HB3 LEU 98 far 0 92 0 - 8.2-10.6 HG LEU 49 - HB3 LEU 103 far 0 100 0 - 9.1-10.0 HG LEU 122 - HB2 LEU 48 far 0 39 0 - 9.5-11.9 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 11 assignments used, quality = 1.00: * HG LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.4-2.6 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 53 58 95 97 3.9-4.7 11025/10991=37...(19) HG LEU 49 - HB3 LEU 122 far 0 90 0 - 5.3-8.0 HB2 LEU 119 - HB3 LEU 122 far 0 96 0 - 5.5-7.2 HB2 LEU 103 - HB3 LEU 122 far 0 80 0 - 5.6-6.9 HG LEU 123 - HB3 LEU 122 far 0 96 0 - 6.3-8.1 HG LEU 103 - HB3 LEU 122 far 0 100 0 - 7.2-8.4 HB2 LEU 119 - HB3 LEU 103 far 0 97 0 - 7.5-8.8 HB2 LEU 103 - HB3 LEU 98 far 0 68 0 - 8.2-10.6 HG LEU 49 - HB3 LEU 103 far 0 90 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 3385 from cnoeabs.peaks (0.78, 1.79, 41.89 ppm; 3.92 A): 9 out of 29 assignments used, quality = 1.00: * QD1 LEU 103 + HB3 LEU 103 OK 100 100 100 100 3.2-3.2 3.2=100 QG1 VAL 63 + HB3 LEU 103 OK 100 100 100 100 3.2-4.2 10965/3.0=45, 10963=38...(33) QD2 LEU 122 + HB3 LEU 122 OK 99 99 100 100 2.0-3.2 3.1=100 QD1 LEU 96 + HB3 LEU 122 OK 89 97 95 96 3.4-4.7 3100/3.0=28...(40) QD1 LEU 122 + HB3 LEU 122 OK 70 70 100 100 2.4-3.2 3.1=100 QD1 LEU 53 + HB3 LEU 122 OK 56 95 95 62 2.3-6.4 3907/4.3=23, 3903=16...(8) QD2 LEU 49 + HB3 LEU 122 OK 35 91 95 40 2.7-4.8 11681/11678=15...(9) QD1 LEU 122 + HB3 LEU 103 OK 30 71 65 66 3.3-6.1 3376/1.8=13, 3895=11...(20) QD2 LEU 122 + HB3 LEU 103 OK 20 100 30 67 3.0-5.5 3376/1.8=14, 2.1/3895=13...(20) QD1 LEU 103 - HB3 LEU 122 far 0 100 0 - 5.3-6.3 QD2 LEU 49 - HB2 LEU 48 far 0 59 0 - 5.3-5.9 QD2 LEU 119 - HB3 LEU 103 far 0 85 0 - 5.5-6.9 QD2 LEU 122 - HB3 LEU 98 far 0 90 0 - 5.6-8.3 QD2 LEU 119 - HB3 LEU 122 far 0 84 0 - 5.6-7.1 QD1 LEU 122 - HB3 LEU 98 far 0 59 0 - 5.6-9.0 QD1 LEU 53 - HB2 LEU 48 far 0 63 0 - 5.9-6.7 QD2 LEU 49 - HB3 LEU 103 far 0 92 0 - 6.4-7.1 QD1 LEU 96 - HB3 LEU 103 far 0 97 0 - 6.4-7.5 QD1 LEU 122 - HB2 LEU 48 far 0 43 0 - 7.1-10.5 QG1 VAL 63 - HB3 LEU 122 far 0 100 0 - 7.2-8.0 QD1 LEU 53 - HB3 LEU 103 far 0 96 0 - 7.5-9.3 QD1 LEU 96 - HB3 LEU 98 far 0 87 0 - 7.6-8.5 QD1 LEU 96 - HB2 LEU 48 far 0 65 0 - 8.1-8.5 QD2 LEU 122 - HB2 LEU 48 far 0 69 0 - 8.7-10.5 QD1 LEU 103 - HB3 LEU 98 far 0 92 0 - 8.8-11.2 QG1 VAL 63 - HB3 LEU 98 far 0 92 0 - 9.5-10.6 QG1 VAL 63 - HB2 LEU 48 far 0 71 0 - 9.7-10.3 QD2 LEU 119 - HB2 LEU 48 far 0 53 0 - 9.8-10.5 QD2 LEU 43 - HB2 LEU 48 far 0 39 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 3386 from cnoeabs.peaks (0.74, 1.79, 41.89 ppm; 4.01 A): 2 out of 12 assignments used, quality = 1.00: * QD2 LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.1-2.4 3.1=100 QD2 LEU 103 + HB3 LEU 122 OK 32 100 55 58 4.0-5.1 3405/3764=15, 3407=10...(15) QD2 LEU 96 - HB3 LEU 122 far 0 98 0 - 5.8-7.1 QG1 VAL 93 - HB3 LEU 98 far 0 88 0 - 7.8-8.6 QG1 VAL 93 - HB3 LEU 122 far 0 98 0 - 8.0-9.7 QD2 LEU 96 - HB3 LEU 98 far 0 88 0 - 8.1-8.8 HG12 ILE 129 - HB3 LEU 122 far 0 98 0 - 8.5-10.2 QD2 LEU 103 - HB3 LEU 98 far 0 92 0 - 8.7-10.4 QD2 LEU 96 - HB2 LEU 48 far 0 67 0 - 8.8-10.2 QD2 LEU 103 - HB2 LEU 48 far 0 71 0 - 8.9-9.7 QD2 LEU 96 - HB3 LEU 103 far 0 99 0 - 9.0-9.7 QD2 LEU 43 - HB2 LEU 48 far 0 61 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 3387 from cnoeabs.peaks (7.90, 1.79, 41.89 ppm; 4.60 A): 1 out of 8 assignments used, quality = 0.99: * H GLN 104 + HB3 LEU 103 OK 99 100 100 99 1.9-2.5 4.6=99 H SER 106 - HB3 LEU 103 far 0 100 0 - 5.3-5.8 HD22 ASN 116 - HB3 LEU 103 far 0 83 0 - 5.9-6.6 H GLN 104 - HB3 LEU 122 far 0 100 0 - 7.9-9.9 H GLU 128 - HB3 LEU 122 far 0 96 0 - 8.4-9.5 HD22 ASN 116 - HB3 LEU 122 far 0 82 0 - 8.9-10.0 H GLN 104 - HB3 LEU 98 far 0 92 0 - 9.6-10.9 H SER 106 - HB3 LEU 98 far 0 91 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 3388 from cnoeabs.peaks (8.08, 1.56, 26.63 ppm; 4.54 A increased from 4.27 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 103 + HG LEU 103 OK 100 100 100 100 4.3-4.5 7474/3.0=80, 7473/3.0=79...(25) H ALA 108 - HG LEU 103 poor 20 100 25 80 4.6-6.8 11486/2.1=56...(5) H THR 25 - HG2 ARG 23 far 0 23 0 - 5.2-7.3 H ALA 109 - HG LEU 103 far 0 100 0 - 5.3-8.0 H VAL 20 - HG2 ARG 23 far 0 25 0 - 6.1-8.8 H ASN 120 - HG LEU 123 far 0 86 0 - 6.6-7.2 H ASN 120 - HG LEU 103 far 0 100 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 3389 from cnoeabs.peaks (4.02, 1.56, 26.63 ppm; 3.91 A): 3 out of 15 assignments used, quality = 1.00: * HA LEU 103 + HG LEU 103 OK 100 100 100 100 2.9-3.4 3367/2.1=82, 4.3=77...(17) HB3 SER 124 + HG LEU 123 OK 68 78 100 88 3.2-4.2 10372/2.1=43...(10) HA SER 50 + HG LEU 123 OK 23 66 35 99 4.2-5.1 11636/2.1=73...(22) HA SER 60 - HG LEU 103 poor 18 99 45 40 3.8-5.5 10978/10965=18, 1077=11...(6) HB2 SER 124 - HG LEU 123 far 0 64 0 - 4.6-5.5 HA LEU 119 - HG LEU 103 far 0 98 0 - 5.8-6.4 HA SER 50 - HG LEU 49 far 0 27 0 - 6.3-6.5 HB3 SER 99 - HG LEU 103 far 0 97 0 - 6.6-8.4 HA LEU 119 - HG LEU 123 far 0 83 0 - 7.5-8.3 HA LEU 119 - HG LEU 49 far 0 36 0 - 7.9-8.3 HA GLN 68 - HG LEU 49 far 0 24 0 - 8.6-8.9 HA LEU 96 - HG LEU 123 far 0 55 0 - 8.8-10.1 HA LEU 96 - HG LEU 49 far 0 22 0 - 8.8-9.5 HB3 SER 99 - HG LEU 49 far 0 35 0 - 9.4-11.3 HB3 SER 99 - HG LEU 123 far 0 81 0 - 9.5-10.8 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 14 assignments used, quality = 1.00: * HB3 LEU 103 + HG LEU 103 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 LEU 123 + HG LEU 123 OK 29 29 100 100 2.9-3.0 3.0=100 HB2 LEU 48 - HG LEU 49 far 5 34 15 - 3.9-4.7 HB3 LYS 24 - HG2 ARG 23 far 0 23 0 - 4.7-7.9 HB3 LYS 31 - HG2 ARG 23 far 0 25 0 - 5.2-20.8 HB3 LEU 122 - HG LEU 49 far 0 39 0 - 5.3-8.0 HB3 LYS 19 - HG2 ARG 23 far 0 25 0 - 5.8-11.6 HG LEU 100 - HG LEU 103 far 0 90 0 - 6.2-7.2 HB3 LEU 122 - HG LEU 123 far 0 87 0 - 6.3-8.1 HG LEU 100 - HG LEU 49 far 0 31 0 - 6.8-7.4 HB2 LEU 100 - HG LEU 103 far 0 60 0 - 7.1-8.0 HB3 LEU 122 - HG LEU 103 far 0 100 0 - 7.2-8.4 HB2 LYS 36 - HG2 ARG 23 far 0 20 0 - 8.2-21.3 HB3 LEU 103 - HG LEU 49 far 0 39 0 - 9.1-10.0 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): 2 out of 25 assignments used, quality = 1.00: * QD1 LEU 103 + HG LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 49 + HG LEU 49 OK 32 32 100 100 2.1-2.1 2.1=100 QG1 VAL 63 - HG LEU 103 far 5 100 5 - 3.6-4.9 QD1 LEU 53 - HG LEU 49 far 0 34 0 - 3.7-4.6 QD1 LEU 53 - HG LEU 123 far 0 79 0 - 3.7-5.4 QD1 LEU 122 - HG LEU 49 far 0 22 0 - 4.0-6.7 QD1 LEU 122 - HG LEU 103 far 0 71 0 - 4.2-7.3 QD2 LEU 119 - HG LEU 103 far 0 85 0 - 4.3-5.4 QD2 LEU 122 - HG LEU 103 far 0 100 0 - 4.4-6.9 QD1 LEU 96 - HG LEU 49 far 0 36 0 - 4.8-5.4 QD1 LEU 122 - HG LEU 123 far 0 55 0 - 5.2-8.4 QD2 LEU 122 - HG LEU 49 far 0 38 0 - 5.4-6.9 QD1 ILE 32 - HG2 ARG 23 far 0 33 0 - 6.4-13.7 QD2 LEU 49 - HG LEU 123 far 0 75 0 - 6.7-7.5 QD2 LEU 49 - HG LEU 103 far 0 92 0 - 6.8-7.9 QD2 LEU 122 - HG LEU 123 far 0 86 0 - 7.1-8.0 QG1 VAL 63 - HG LEU 49 far 0 39 0 - 7.1-7.7 QD1 ILE 37 - HG2 ARG 23 far 0 34 0 - 7.2-19.1 QD1 LEU 53 - HG LEU 103 far 0 96 0 - 7.5-9.3 QD1 LEU 96 - HG LEU 103 far 0 97 0 - 7.7-8.9 QD2 LEU 119 - HG LEU 49 far 0 28 0 - 7.7-8.5 QD1 LEU 96 - HG LEU 123 far 0 82 0 - 7.8-8.8 QD1 LEU 103 - HG LEU 49 far 0 39 0 - 8.0-9.0 QD2 LEU 119 - HG LEU 123 far 0 68 0 - 8.2-8.9 QD1 LEU 103 - HG LEU 123 far 0 87 0 - 9.7-10.8 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 8 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 49 far 0 39 0 - 5.9-6.7 QD2 LEU 96 - HG LEU 49 far 0 37 0 - 6.2-7.6 HG12 ILE 129 - HG LEU 49 far 0 36 0 - 8.5-11.7 HG12 ILE 129 - HG LEU 123 far 0 83 0 - 8.9-10.8 QD2 LEU 96 - HG LEU 123 far 0 84 0 - 9.0-10.4 QD2 LEU 103 - HG LEU 123 far 0 87 0 - 9.0-10.2 QG1 VAL 93 - HG LEU 49 far 0 36 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 3395 from cnoeabs.peaks (7.90, 1.56, 26.63 ppm; 4.69 A): 2 out of 6 assignments used, quality = 1.00: * H GLN 104 + HG LEU 103 OK 100 100 100 100 2.6-3.7 7491/2.1=86, 7488/3.0=80...(21) HD22 ASN 116 + HG LEU 103 OK 46 83 60 93 4.5-5.8 ~10219=60, ~11425=43...(8) H SER 106 - HG LEU 103 far 5 100 5 - 5.3-6.2 H GLU 128 - HG LEU 123 far 0 81 0 - 6.6-7.1 H THR 115 - HG LEU 103 far 0 99 0 - 9.3-12.5 H GLU 128 - HG LEU 49 far 0 35 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 3396 from cnoeabs.peaks (8.08, 0.78, 24.12 ppm; 4.37 A increased from 3.89 A): 3 out of 6 assignments used, quality = 1.00: * H LEU 103 + QD1 LEU 103 OK 100 100 100 100 4.0-4.2 3.0/3367=81, 7477/2.1=74...(26) H ALA 108 + QD1 LEU 103 OK 56 100 60 93 4.3-5.3 11486=54, 7557/10106=45...(10) H ALA 109 + QD1 LEU 103 OK 25 100 40 62 4.4-5.7 4.6/11486=35...(5) H ASN 120 - QD1 LEU 103 far 0 100 0 - 5.3-5.9 H LEU 103 - QD1 LEU 96 far 0 69 0 - 7.2-8.1 H ASN 120 - QD1 LEU 96 far 0 68 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 3397 from cnoeabs.peaks (4.02, 0.78, 24.12 ppm; 3.34 A): 3 out of 17 assignments used, quality = 1.00: * HA LEU 103 + QD1 LEU 103 OK 100 100 100 100 2.0-2.3 3367=98, 3368/2.1=51...(18) HA LEU 119 + QD1 LEU 103 OK 71 98 95 76 3.0-4.0 3759=39, 2.8/11426=21...(11) HA LEU 96 + QD1 LEU 96 OK 39 41 100 93 2.8-3.5 4.0=60, ~3083=20...(24) HA SER 60 - QD1 LEU 103 far 0 99 0 - 4.4-6.2 HB3 SER 99 - QD1 LEU 103 far 0 97 0 - 4.6-6.4 HB3 SER 99 - QD1 LEU 96 far 0 63 0 - 4.9-6.2 HA LYS 95 - QD1 LEU 96 far 0 69 0 - 6.6-7.0 HA GLN 68 - QD1 LEU 96 far 0 45 0 - 6.8-7.3 HA LEU 119 - QD1 LEU 96 far 0 65 0 - 6.9-8.0 HA SER 50 - QD1 LEU 96 far 0 50 0 - 7.4-8.2 HB2 SER 124 - QD1 LEU 96 far 0 49 0 - 7.5-8.4 HA LEU 96 - QD1 LEU 103 far 0 71 0 - 8.0-9.0 HB3 SER 124 - QD1 LEU 96 far 0 61 0 - 8.1-8.7 HA LEU 103 - QD1 LEU 96 far 0 69 0 - 8.5-9.6 HA SER 60 - QD1 LEU 96 far 0 67 0 - 9.8-10.4 HB3 SER 124 - QD1 LEU 103 far 0 95 0 - 9.9-10.9 HA SER 50 - QD1 LEU 103 far 0 83 0 - 9.9-11.0 Violated in 0 structures by 0.00 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 2.2-2.4 3.2=98, 3.0/3367=46...(22) 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 6 38 15 - 2.6-4.7 HG LEU 122 - QD1 LEU 103 far 0 65 0 - 4.3-6.1 HG LEU 49 - QD1 LEU 96 far 0 68 0 - 4.8-5.4 HB2 LEU 103 - QD1 LEU 96 far 0 69 0 - 6.6-7.6 HG LEU 103 - QD1 LEU 96 far 0 49 0 - 7.7-8.9 HG LEU 123 - QD1 LEU 96 far 0 64 0 - 7.8-8.8 HG LEU 49 - QD1 LEU 103 far 0 100 0 - 8.0-9.0 HG LEU 123 - QD1 LEU 103 far 0 97 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 3399 from cnoeabs.peaks (1.79, 0.78, 24.12 ppm; 3.46 A): 4 out of 13 assignments used, quality = 1.00: * HB3 LEU 103 + QD1 LEU 103 OK 100 100 100 100 3.2-3.2 3.2=100 HG LEU 100 + QD1 LEU 96 OK 51 57 100 91 2.3-3.3 2.1/11388=29, ~11918=26...(20) HB3 LEU 122 + QD1 LEU 96 OK 34 69 55 90 3.4-4.7 3.0/3100=17, 1.8/3873=12...(40) HB2 LEU 100 + QD1 LEU 96 OK 24 34 85 83 3.6-4.4 3.2/11388=22, ~11918=20...(16) HB3 LEU 122 - QD1 LEU 103 far 0 100 0 - 5.3-6.3 HG LEU 100 - QD1 LEU 103 far 0 90 0 - 5.7-6.8 HB3 LEU 103 - QD1 LEU 96 far 0 69 0 - 6.4-7.5 HB3 LEU 123 - QD1 LEU 96 far 0 21 0 - 6.5-7.5 HB2 LEU 100 - QD1 LEU 103 far 0 60 0 - 6.9-7.5 HB3 LEU 123 - QD1 LEU 103 far 0 38 0 - 7.5-8.6 HB3 LEU 98 - QD1 LEU 96 far 0 66 0 - 7.6-8.5 HB2 LEU 48 - QD1 LEU 96 far 0 62 0 - 8.1-8.5 HB3 LEU 98 - QD1 LEU 103 far 0 99 0 - 8.8-11.2 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 2.2-2.4 3.2=76, 3.0/3367=39...(19) HB2 LEU 119 - QD1 LEU 103 far 0 97 0 - 4.0-5.2 HG LEU 49 - QD1 LEU 96 far 0 57 0 - 4.8-5.4 HB2 LEU 103 - QD1 LEU 96 far 0 49 0 - 6.6-7.6 HG LEU 103 - QD1 LEU 96 far 0 69 0 - 7.7-8.9 HG LEU 123 - QD1 LEU 96 far 0 63 0 - 7.8-8.8 HG LEU 49 - QD1 LEU 103 far 0 90 0 - 8.0-9.0 HB2 LEU 119 - QD1 LEU 96 far 0 63 0 - 8.5-9.7 HB3 LEU 42 - QD1 LEU 96 far 0 62 0 - 8.8-10.1 HG LEU 123 - QD1 LEU 103 far 0 97 0 - 9.7-10.8 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): 2 out of 7 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 1.9-2.0 2.1=100 QG1 VAL 93 - QD1 LEU 96 far 0 65 0 - 4.1-4.8 HG12 ILE 129 - QD1 LEU 96 far 0 65 0 - 4.4-6.6 QD2 LEU 103 - QD1 LEU 96 far 0 69 0 - 5.0-6.1 QD2 LEU 43 - QD1 LEU 96 far 0 59 0 - 8.5-9.3 QD2 LEU 96 - QD1 LEU 103 far 0 99 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 3403 from cnoeabs.peaks (7.90, 0.78, 24.12 ppm; 4.03 A): 2 out of 6 assignments used, quality = 1.00: * H GLN 104 + QD1 LEU 103 OK 100 100 100 100 3.8-4.5 7491/2.1=69, 3.6/3367=62...(24) HD22 ASN 116 + QD1 LEU 103 OK 80 83 100 97 2.3-3.1 1.7/10219=60...(16) H SER 106 - QD1 LEU 103 poor 20 100 20 - 4.5-5.3 H THR 115 - QD1 LEU 103 far 0 99 0 - 6.0-8.5 H GLU 128 - QD1 LEU 96 far 0 63 0 - 6.6-7.1 H GLN 104 - QD1 LEU 96 far 0 69 0 - 7.6-8.6 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 9 assignments used, quality = 1.00: * HA LEU 103 + QD2 LEU 103 OK 100 100 100 100 3.9-4.0 3368=87, 3367/2.1=79...(17) HA LEU 119 + QD2 LEU 103 OK 71 98 100 73 3.2-3.7 3759/2.1=32, ~11426=22...(10) HA SER 60 + QD2 LEU 103 OK 21 99 40 52 3.9-4.8 10977/11832=24...(8) HB3 SER 99 - QD2 LEU 103 poor 11 97 30 39 4.2-6.0 11475/11822=19...(7) HA LEU 96 - QD2 LEU 103 far 0 71 0 - 6.8-7.8 HA SER 50 - QD2 LEU 103 far 0 83 0 - 8.6-9.5 HB3 SER 124 - QD2 LEU 103 far 0 95 0 - 9.5-10.7 HB2 SER 124 - QD2 LEU 103 far 0 81 0 - 9.8-10.9 HA LYS 95 - QD2 LEU 103 far 0 100 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 3406 from cnoeabs.peaks (1.58, 0.74, 25.24 ppm; 3.53 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.3-2.6 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 OK 29 65 95 47 2.7-4.5 3.0/3386=11, 2.1/3409=9...(19) HG LEU 49 - QD2 LEU 103 far 0 100 0 - 5.9-6.7 HG LEU 123 - QD2 LEU 103 far 0 97 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 3407 from cnoeabs.peaks (1.79, 0.74, 25.24 ppm; 3.57 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.1-2.4 3.1=100 HG LEU 100 + QD2 LEU 103 OK 34 90 55 68 3.6-4.5 9399/11832=10, ~3261=10...(16) HB3 LEU 122 - QD2 LEU 103 poor 14 100 25 57 4.0-5.1 3386=17, 3764/3405=12...(17) HB2 LEU 100 - QD2 LEU 103 far 0 60 0 - 5.1-5.6 HB3 LEU 123 - QD2 LEU 103 far 0 38 0 - 6.8-7.9 HB3 LEU 98 - QD2 LEU 103 far 0 99 0 - 8.7-10.4 HB2 LEU 48 - QD2 LEU 103 far 0 96 0 - 8.9-9.7 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 2.3-2.6 3.1=100 HB2 LEU 119 - QD2 LEU 103 far 0 97 0 - 4.3-5.2 HG LEU 49 - QD2 LEU 103 far 0 90 0 - 5.9-6.7 HG LEU 123 - QD2 LEU 103 far 0 97 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 3409 from cnoeabs.peaks (0.78, 0.74, 25.24 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 103 + QD2 LEU 103 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 122 - QD2 LEU 103 poor 20 100 20 - 2.1-4.5 QD1 LEU 122 - QD2 LEU 103 poor 11 71 60 25 1.9-4.7 3.1/3386=5, 2.1/3406=4...(9) QG1 VAL 63 - QD2 LEU 103 far 10 100 10 - 3.0-3.6 QD2 LEU 119 - QD2 LEU 103 far 8 85 10 - 2.7-3.9 QD2 LEU 49 - QD2 LEU 103 far 0 92 0 - 4.1-4.9 QD1 LEU 53 - QD2 LEU 103 far 0 96 0 - 4.7-6.1 QD1 LEU 96 - QD2 LEU 103 far 0 97 0 - 5.0-6.1 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): 1 out of 5 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 far 5 100 5 - 4.4-5.2 HD22 ASN 116 - HA GLN 104 far 0 83 0 - 6.6-7.7 H GLN 104 - HA LEU 98 far 0 58 0 - 8.4-9.1 H SER 106 - HA LEU 98 far 0 57 0 - 9.5-11.0 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): 2 out of 7 assignments used, quality = 1.00: * HB2 GLN 104 + HA GLN 104 OK 100 100 100 100 2.5-2.6 3.0=100 HB3 GLU 97 + HA LEU 98 OK 22 31 75 94 4.0-5.3 7359/2.9=32, ~7358=31...(13) HB2 GLN 101 - HA LEU 98 far 0 45 0 - 4.9-5.4 HB2 GLN 101 - HA GLN 104 far 0 89 0 - 8.1-8.9 HB2 GLN 68 - HA LEU 48 far 0 25 0 - 9.0-10.6 HB3 LEU 69 - HA LEU 48 far 0 33 0 - 9.3-9.7 HB3 GLN 68 - HA LEU 48 far 0 49 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 3415 from cnoeabs.peaks (2.22, 4.09, 58.10 ppm; 3.74 A): 2 out of 10 assignments used, quality = 1.00: * HB3 GLN 104 + HA GLN 104 OK 100 100 100 100 2.3-2.4 3.0=100 HB3 GLU 97 + HA LEU 98 OK 40 56 75 96 4.0-5.3 7359/2.9=50, ~7358=32...(14) HB3 GLU 102 - HA LEU 98 far 0 55 0 - 4.7-7.8 HB2 GLN 101 - HA LEU 98 far 0 47 0 - 4.9-5.4 HG2 GLN 68 - HA LEU 48 far 0 51 0 - 7.9-8.8 HB3 GLU 102 - HA GLN 104 far 0 99 0 - 8.0-8.6 HB3 LEU 96 - HA LEU 98 far 0 49 0 - 8.0-8.3 HB2 GLN 101 - HA GLN 104 far 0 90 0 - 8.1-8.9 HB3 GLN 127 - HA LEU 48 far 0 54 0 - 8.8-10.9 HB2 GLN 68 - HA LEU 48 far 0 54 0 - 9.0-10.6 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 6 assignments used, quality = 1.00: * HG2 GLN 104 + HA GLN 104 OK 100 100 100 100 3.5-3.7 3.9=91, 7495/3.0=59...(20) HG2 GLU 102 - HA LEU 98 far 0 37 0 - 4.6-8.2 HG3 GLU 55 - HA LEU 48 far 0 43 0 - 7.3-10.1 HG2 GLU 102 - HA GLN 104 far 0 76 0 - 7.8-10.1 HG2 GLN 104 - HA LEU 98 far 0 58 0 - 8.1-8.6 HG2 GLN 127 - HA LEU 48 far 0 29 0 - 8.4-11.9 Violated in 0 structures by 0.00 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 3.8-4.2 3.9=100 HG2 GLU 55 - HA LEU 48 far 0 52 0 - 7.5-8.4 HG3 GLN 104 - HA LEU 98 far 0 58 0 - 8.7-9.5 HG3 GLN 127 - HA LEU 48 far 0 46 0 - 8.9-11.5 HG2 MET 11 - HA LEU 98 far 0 55 0 - 9.5-37.2 Violated in 3 structures by 0.01 A. Peak 3418 from cnoeabs.peaks (6.96, 4.09, 58.10 ppm; 5.70 A increased from 4.56 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 104 + HA GLN 104 OK 100 100 100 100 4.7-5.7 5.5=100 HE21 GLN 104 - HA LEU 98 far 0 58 0 - 7.6-10.8 Violated in 0 structures by 0.00 A. Peak 3419 from cnoeabs.peaks (7.43, 4.09, 58.10 ppm; 5.65 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 104 + HA GLN 104 OK 100 100 100 100 3.0-4.1 5.5=100 H GLN 61 - HA GLN 104 far 0 99 0 - 6.7-7.9 H LEU 62 - HA GLN 104 far 0 99 0 - 7.0-8.2 HE22 GLN 104 - HA LEU 98 far 0 58 0 - 7.8-11.1 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 3.2-3.6 3.6=100 H VAL 105 - HA LEU 98 far 0 58 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 3421 from cnoeabs.peaks (4.10, 2.19, 29.39 ppm; 4.32 A): 1 out of 2 assignments used, quality = 0.93: HA GLN 104 + HB2 GLN 104 OK 93 93 100 100 2.5-2.6 3.0=100 ! HA GLN 101 - HB2 GLN 104 far 0 100 0 - 4.9-5.7 Violated in 0 structures by 0.00 A. Peak 3422 from cnoeabs.peaks (7.90, 2.19, 29.39 ppm; 3.85 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 104 + HB2 GLN 104 OK 100 100 100 100 3.5-3.6 7493=100, 7494/1.8=87...(17) H SER 106 - HB2 GLN 104 far 0 100 0 - 5.4-6.3 HD22 ASN 116 - HB2 GLN 104 far 0 83 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 3423 from cnoeabs.peaks (4.09, 2.19, 29.39 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.5-2.6 3.0=100 HA GLN 101 - HB2 GLN 104 far 0 93 0 - 4.9-5.7 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 3 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 - 6.9-7.7 HB3 GLU 102 - HB2 GLN 104 far 0 99 0 - 9.0-9.2 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 2 assignments used, quality = 1.00: * HG2 GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.7-3.0 3.0=100 HG2 GLU 102 - HB2 GLN 104 far 0 76 0 - 8.9-10.5 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 1 assignment used, quality = 1.00: * HG3 GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.2-2.5 3.0=100 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 2.1-4.0 4.5=100 H GLN 61 - HB2 GLN 104 far 0 99 0 - 8.5-9.4 H LEU 62 - HB2 GLN 104 far 0 99 0 - 8.9-9.7 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 3.3-4.2 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): 1 out of 2 assignments used, quality = 0.93: HA GLN 104 + HB3 GLN 104 OK 93 93 100 100 2.3-2.4 3.0=100 ! HA GLN 101 - HB3 GLN 104 far 5 100 5 - 4.8-5.9 Violated in 0 structures by 0.00 A. Peak 3432 from cnoeabs.peaks (7.90, 2.22, 29.39 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 104 + HB3 GLN 104 OK 100 100 100 100 2.7-2.9 7494=100, 7493/1.8=75...(23) H SER 106 - HB3 GLN 104 far 0 100 0 - 5.9-6.7 HD22 ASN 116 - HB3 GLN 104 far 0 83 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 3433 from cnoeabs.peaks (4.09, 2.22, 29.39 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 104 + HB3 GLN 104 OK 100 100 100 100 2.3-2.4 3.0=100 HA GLN 101 - HB3 GLN 104 far 0 93 0 - 4.8-5.9 HB THR 65 - HB3 GLN 104 far 0 76 0 - 9.4-10.0 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 2 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 - 7.1-8.2 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 2 assignments used, quality = 1.00: * HG2 GLN 104 + HB3 GLN 104 OK 100 100 100 100 2.4-2.9 3.0=100 HG2 GLU 102 - HB3 GLN 104 far 0 76 0 - 8.3-10.3 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 1 assignment used, quality = 1.00: * HG3 GLN 104 + HB3 GLN 104 OK 100 100 100 100 2.4-3.0 3.0=100 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 1.8-3.9 4.5=100 H GLN 61 - HB3 GLN 104 far 5 99 5 - 7.3-8.5 H LEU 62 - HB3 GLN 104 far 0 99 0 - 7.6-8.1 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 3.9-4.5 4.4=100 Violated in 3 structures by 0.00 A. Peak 3441 from cnoeabs.peaks (7.90, 2.38, 34.44 ppm; 4.29 A): 3 out of 4 assignments used, quality = 1.00: * H GLN 104 + HG2 GLN 104 OK 100 100 100 100 1.7-2.1 7495=100, 7496/1.8=92...(21) H GLU 128 + HG2 GLU 128 OK 77 77 100 100 3.7-4.4 4.6=84, 7854/1.8=73...(15) H SER 106 + HG2 GLN 104 OK 31 100 35 88 4.6-6.0 7535/7525=52...(6) HD22 ASN 116 - HG2 GLN 104 far 0 83 0 - 8.1-9.4 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 5 assignments used, quality = 1.00: * HA GLN 104 + HG2 GLN 104 OK 100 100 100 100 3.5-3.7 3416=91, 3.0/7495=51...(20) HA GLN 101 + HG2 GLN 104 OK 74 93 100 79 2.5-3.7 3451/1.8=35...(10) HA PHE 89 - HG2 GLU 128 far 0 83 0 - 4.9-5.6 HA LEU 98 - HG2 GLN 104 far 0 89 0 - 8.1-8.6 HB THR 65 - HG2 GLN 104 far 0 76 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 3443 from cnoeabs.peaks (2.19, 2.38, 34.44 ppm; 3.32 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLN 104 + HG2 GLN 104 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 GLN 101 - HG2 GLN 104 far 0 89 0 - 4.7-6.0 HB VAL 133 - HG2 GLU 128 far 0 83 0 - 7.6-10.6 HB3 GLU 97 - HG2 GLN 104 far 0 65 0 - 8.6-9.6 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 8 assignments used, quality = 1.00: * HB3 GLN 104 + HG2 GLN 104 OK 100 100 100 100 2.4-2.9 3.0=100 HB3 GLU 128 + HG2 GLU 128 OK 83 83 100 100 2.2-3.0 3.0=100 HB2 GLN 101 - HG2 GLN 104 far 0 90 0 - 4.7-6.0 HG2 GLU 91 - HG2 GLU 128 far 0 82 0 - 4.7-8.8 HB3 GLU 102 - HG2 GLN 104 far 0 99 0 - 6.2-7.6 HB3 LEU 96 - HG2 GLU 128 far 0 73 0 - 6.5-8.4 HB3 GLN 127 - HG2 GLU 128 far 0 82 0 - 6.8-8.3 HB3 GLU 97 - HG2 GLN 104 far 0 99 0 - 8.6-9.6 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 HG2 MET 11 - HG2 GLU 128 far 0 80 0 - 6.3-47.0 HG3 GLN 127 - HG2 GLU 128 far 0 73 0 - 6.8-9.5 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 3.5-4.0 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 2.3-3.4 3.5=100 QE PHE 89 - HG2 GLU 128 far 0 48 0 - 7.3-8.4 H LEU 62 - HG2 GLN 104 far 0 99 0 - 8.7-10.2 H GLN 61 - HG2 GLN 104 far 0 99 0 - 9.1-10.6 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 2 assignments used, quality = 1.00: * H VAL 105 + HG2 GLN 104 OK 100 100 100 100 2.1-3.9 5.0=100 HD21 ASN 13 - HG2 GLU 128 far 0 58 0 - 9.8-43.8 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 3 assignments used, quality = 1.00: * H GLN 104 + HG3 GLN 104 OK 100 100 100 100 2.6-3.6 7496=100, 7495/1.8=74...(17) H SER 106 - HG3 GLN 104 far 0 100 0 - 5.0-7.0 HD22 ASN 116 - HG3 GLN 104 far 0 83 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. Peak 3451 from cnoeabs.peaks (4.09, 2.47, 34.44 ppm; 3.48 A): 2 out of 3 assignments used, quality = 0.92: * HA GLN 104 + HG3 GLN 104 OK 75 100 75 100 3.8-4.2 3.9=71, 3416/1.8=68...(20) HA GLN 101 + HG3 GLN 104 OK 69 93 100 74 2.9-4.0 3442/1.8=30...(8) HA LEU 98 - HG3 GLN 104 far 0 89 0 - 8.7-9.5 Violated in 1 structures by 0.01 A. Peak 3452 from cnoeabs.peaks (2.19, 2.47, 34.44 ppm; 3.28 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 104 + HG3 GLN 104 OK 100 100 100 100 2.2-2.5 3.0=100 HB2 GLN 101 - HG3 GLN 104 far 0 89 0 - 4.7-6.1 HB3 GLU 97 - HG3 GLN 104 far 0 65 0 - 9.3-10.6 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 4 assignments used, quality = 1.00: * HB3 GLN 104 + HG3 GLN 104 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 101 - HG3 GLN 104 far 0 90 0 - 4.7-6.1 HB3 GLU 102 - HG3 GLN 104 far 0 99 0 - 7.0-8.9 HB3 GLU 97 - HG3 GLN 104 far 0 99 0 - 9.3-10.6 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 2 assignments used, quality = 1.00: * HG2 GLN 104 + HG3 GLN 104 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 102 - HG3 GLN 104 far 0 76 0 - 6.9-9.6 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 3.8-4.1 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 3.0-3.6 3.5=100 H LEU 62 - HG3 GLN 104 far 0 99 0 - 9.5-10.8 H GLN 61 - HG3 GLN 104 far 0 99 0 - 9.5-11.2 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 2 assignments used, quality = 1.00: * H VAL 105 + HG3 GLN 104 OK 100 100 100 100 2.3-4.8 5.0=93, 7525/1.8=82...(7) HD21 ASN 13 - HG3 GLN 104 far 0 78 0 - 9.4-38.2 Violated in 0 structures by 0.00 A. Peak 3459 from cnoeabs.peaks (7.62, 4.19, 62.60 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 105 + HA VAL 105 OK 100 100 100 100 2.8-2.9 3.0=100 HD21 ASN 13 - HA VAL 105 far 0 78 0 - 7.8-41.9 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 1 assignment used, quality = 1.00: * HB VAL 105 + HA VAL 105 OK 100 100 100 100 2.4-2.5 3.0=100 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 1 assignment used, quality = 1.00: * QG1 VAL 105 + HA VAL 105 OK 100 100 100 100 2.3-2.4 3473=100, 7531/3.0=46...(10) 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 3.2-3.2 3.2=100 QG2 VAL 118 - HA VAL 105 far 0 99 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 3464 from cnoeabs.peaks (7.90, 4.19, 62.60 ppm; 3.61 A): 1 out of 3 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 far 0 100 0 - 5.1-5.5 HD22 ASN 116 - HA VAL 105 far 0 87 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 3465 from cnoeabs.peaks (4.05, 2.26, 31.98 ppm; 4.64 A increased from 4.12 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 102 + HB VAL 105 OK 100 100 100 100 4.2-4.5 10086/2.1=98...(12) HA LEU 119 - HB3 PRO 113 far 0 54 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 3466 from cnoeabs.peaks (7.62, 2.26, 31.98 ppm; 3.83 A increased from 3.60 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 105 + HB VAL 105 OK 100 100 100 100 3.6-3.8 7530=99, 3478/2.1=87...(9) HD21 ASN 120 - HB3 PRO 113 far 0 71 0 - 6.4-13.0 HD21 ASN 13 - HB VAL 105 far 0 78 0 - 6.5-41.4 Violated in 0 structures by 0.00 A. Peak 3467 from cnoeabs.peaks (4.19, 2.26, 31.98 ppm; 3.29 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 105 + HB VAL 105 OK 100 100 100 100 2.4-2.5 3.0=100 HA LEU 53 - HB3 PRO 113 far 0 77 0 - 7.7-11.0 HA SER 99 - HB VAL 105 far 0 65 0 - 9.6-9.9 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 5 assignments used, quality = 1.00: * QG1 VAL 105 + HB VAL 105 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 112 - HB3 PRO 113 far 0 82 0 - 4.3-4.5 QD1 LEU 119 - HB3 PRO 113 far 0 68 0 - 4.6-6.7 QD2 LEU 53 - HB3 PRO 113 far 0 83 0 - 7.6-10.4 QG1 VAL 57 - HB3 PRO 113 far 0 79 0 - 8.4-10.6 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 2 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 - HB VAL 105 far 0 99 0 - 7.2-8.0 Violated in 0 structures by 0.00 A. Peak 3471 from cnoeabs.peaks (7.90, 2.26, 31.98 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * H SER 106 + HB VAL 105 OK 100 100 100 100 3.3-3.7 7537=100, 7539/2.1=75...(12) H THR 115 - HB3 PRO 113 poor 17 83 20 - 2.8-5.6 H GLN 104 - HB VAL 105 far 0 100 0 - 6.0-6.5 HD22 ASN 116 - HB VAL 105 far 0 87 0 - 8.3-10.6 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 3 assignments used, quality = 1.00: * H VAL 105 + QG1 VAL 105 OK 100 100 100 100 2.0-2.9 7531=100, 3478/2.1=78...(10) HD21 ASN 13 - QG1 VAL 105 far 0 78 0 - 5.2-33.3 HD21 ASN 120 - QG1 VAL 112 far 0 56 0 - 8.1-11.3 Violated in 0 structures by 0.00 A. Peak 3473 from cnoeabs.peaks (4.19, 0.96, 20.99 ppm; 3.08 A): 1 out of 4 assignments used, quality = 0.99: * HA VAL 105 + QG1 VAL 105 OK 99 100 100 99 2.3-2.4 3462=90, 3.0/7531=43...(9) HA SER 99 - QG1 VAL 105 far 0 65 0 - 7.3-7.9 HA LEU 53 - QG1 VAL 112 far 0 62 0 - 9.0-10.3 HA HIS 67 - QG1 VAL 105 far 0 65 0 - 9.2-10.2 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 2 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 - 4.3-4.5 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 3 assignments used, quality = 1.00: * QG2 VAL 105 + QG1 VAL 105 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 VAL 118 - QG1 VAL 105 far 0 99 0 - 6.0-7.0 QG2 VAL 118 - QG1 VAL 112 far 0 67 0 - 7.7-9.1 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 5 assignments used, quality = 1.00: * H SER 106 + QG1 VAL 105 OK 100 100 100 100 3.7-3.9 7538=78, 7537/2.1=71...(17) H THR 115 + QG1 VAL 112 OK 63 67 100 94 3.2-3.6 7607/10194=46...(12) H GLN 104 + QG1 VAL 105 OK 38 100 40 94 3.9-4.7 10070/2.1=58...(6) HD22 ASN 116 - QG1 VAL 112 far 0 53 0 - 6.1-8.2 HD22 ASN 116 - QG1 VAL 105 far 0 87 0 - 7.8-9.5 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 1.8-2.1 7532=91, 7531/2.1=51...(14) HD21 ASN 13 - QG2 VAL 105 far 0 78 0 - 6.9-32.7 Violated in 0 structures by 0.00 A. Peak 3479 from cnoeabs.peaks (4.19, 1.00, 20.13 ppm; 3.31 A increased from 3.11 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 105 + QG2 VAL 105 OK 100 100 100 100 3.2-3.2 3.2=100 HA SER 99 - QG2 VAL 105 far 0 65 0 - 5.9-6.4 Violated in 0 structures by 0.00 A. Peak 3480 from cnoeabs.peaks (2.26, 1.00, 20.13 ppm; 2.75 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 105 + QG2 VAL 105 OK 100 100 100 100 2.1-2.1 2.1=100 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 3 assignments used, quality = 1.00: * QG1 VAL 105 + QG2 VAL 105 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 LEU 119 - QG2 VAL 105 far 0 87 0 - 7.7-8.8 QD2 LEU 53 - QG2 VAL 105 far 0 99 0 - 9.1-10.5 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 3 assignments used, quality = 1.00: * H SER 106 + QG2 VAL 105 OK 100 100 100 100 1.7-2.0 7539=77, 7537/2.1=59...(17) H GLN 104 + QG2 VAL 105 OK 28 100 30 93 3.6-4.1 10070=52, 7499/3478=51...(8) HD22 ASN 116 - QG2 VAL 105 far 0 87 0 - 5.4-7.7 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 3 assignments used, quality = 1.00: * H SER 106 + HA SER 106 OK 100 100 100 100 2.8-2.9 2.9=100 HD22 ASN 116 - HA SER 106 far 0 87 0 - 5.3-7.7 H GLN 104 - HA SER 106 far 0 100 0 - 7.1-7.4 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 5 assignments used, quality = 1.00: * HB2 SER 106 + HA SER 106 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 106 + HA SER 106 OK 96 96 100 100 2.3-3.0 3.0=100 HB3 SER 107 - HA SER 106 far 0 99 0 - 5.4-6.5 HD3 PRO 117 - HA SER 106 far 0 93 0 - 7.8-9.0 HA LEU 100 - HA SER 106 far 0 100 0 - 9.9-10.3 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 5 assignments used, quality = 1.00: * HB3 SER 106 + HA SER 106 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 106 + HA SER 106 OK 96 96 100 100 2.3-3.0 3.0=100 HB3 SER 107 - HA SER 106 far 0 87 0 - 5.4-6.5 HD3 PRO 117 - HA SER 106 far 0 68 0 - 7.8-9.0 HA LEU 100 - HA SER 106 far 0 89 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 3488 from cnoeabs.peaks (8.23, 4.46, 58.89 ppm; 3.65 A increased from 3.24 A): 1 out of 1 assignment used, quality = 1.00: * H SER 107 + HA SER 106 OK 100 100 100 100 3.2-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3489 from cnoeabs.peaks (7.90, 3.97, 63.90 ppm; 3.53 A): 3 out of 12 assignments used, quality = 1.00: * H SER 106 + HB2 SER 106 OK 96 100 100 96 2.6-3.7 4.0=67, 7542/1.8=39...(11) H SER 106 + HB3 SER 106 OK 84 87 100 96 2.7-3.7 4.0=67, 7541/1.8=39...(11) H GLN 104 + HB3 SER 107 OK 21 76 45 61 3.6-5.9 7481=23, 3403/10106=12...(12) HD22 ASN 116 - HB3 SER 106 poor 17 70 25 - 2.7-6.6 HD22 ASN 116 - HB3 SER 107 poor 14 60 55 43 3.0-5.7 10213/1.8=10...(11) HD22 ASN 116 - HB2 SER 106 poor 12 87 45 31 3.4-5.8 10278/10270=10...(8) H SER 106 - HB3 SER 107 far 0 76 0 - 4.1-6.0 H GLN 104 - HB2 SER 106 far 0 100 0 - 5.9-7.7 H GLN 104 - HB3 SER 106 far 0 87 0 - 6.1-7.8 H THR 115 - HB3 SER 107 far 0 75 0 - 8.6-12.4 H THR 115 - HB3 SER 106 far 0 85 0 - 9.2-13.2 H THR 115 - HB2 SER 106 far 0 99 0 - 9.8-12.5 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 5 assignments used, quality = 1.00: * HA SER 106 + HB2 SER 106 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 106 + HB3 SER 106 OK 87 87 100 100 2.3-3.0 3.0=100 HA SER 106 - HB3 SER 107 far 0 76 0 - 5.4-6.5 HA PRO 58 - HB3 SER 107 far 0 76 0 - 6.4-9.2 HA ASP 64 - HB3 SER 107 far 0 76 0 - 9.1-11.6 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 3 assignments used, quality = 1.00: * H SER 107 + HB2 SER 106 OK 99 100 100 99 2.2-4.5 4.5=89, 7543/4.0=59...(10) H SER 107 + HB3 SER 106 OK 86 87 100 99 3.6-3.8 4.5=89, 7543/4.0=59...(13) H SER 107 + HB3 SER 107 OK 76 76 100 100 2.2-3.7 4.1=100 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 12 assignments used, quality = 0.99: * H SER 106 + HB3 SER 106 OK 96 100 100 96 2.7-3.7 4.0=65, 7541/1.8=38...(11) H SER 106 + HB2 SER 106 OK 83 87 100 96 2.6-3.7 4.0=65, 7542/1.8=38...(11) HD22 ASN 116 - HB3 SER 107 poor 19 35 55 - 3.0-5.7 H GLN 104 - HB3 SER 107 poor 18 46 40 - 3.6-5.9 HD22 ASN 116 - HB3 SER 106 poor 17 87 20 - 2.7-6.6 HD22 ASN 116 - HB2 SER 106 poor 9 70 40 33 3.4-5.8 10278/10270=12...(8) H SER 106 - HB3 SER 107 far 0 46 0 - 4.1-6.0 H GLN 104 - HB2 SER 106 far 0 87 0 - 5.9-7.7 H GLN 104 - HB3 SER 106 far 0 100 0 - 6.1-7.8 H THR 115 - HB3 SER 107 far 0 44 0 - 8.6-12.4 H THR 115 - HB3 SER 106 far 0 99 0 - 9.2-13.2 H THR 115 - HB2 SER 106 far 0 85 0 - 9.8-12.5 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 5 assignments used, quality = 1.00: * HA SER 106 + HB3 SER 106 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 106 + HB2 SER 106 OK 87 87 100 100 2.3-3.0 3.0=100 HA SER 106 - HB3 SER 107 far 0 46 0 - 5.4-6.5 HA PRO 58 - HB3 SER 107 far 0 45 0 - 6.4-9.2 HA ASP 64 - HB3 SER 107 far 0 46 0 - 9.1-11.6 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 3 assignments used, quality = 1.00: * H SER 107 + HB3 SER 106 OK 100 100 100 100 3.6-3.8 4.5=94, 7543/4.0=61...(13) H SER 107 + HB2 SER 106 OK 86 87 100 99 2.2-4.5 4.5=94, 7543/4.0=61...(10) H SER 107 + HB3 SER 107 OK 46 46 100 100 2.2-3.7 4.1=100 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 8 assignments used, quality = 1.00: * H SER 107 + HA SER 107 OK 100 100 100 100 2.6-2.8 3.0=100 H SER 33 + HA SER 33 OK 89 89 100 100 2.9-2.9 3.0=100 H LYS 31 - HA SER 33 far 0 89 0 - 7.7-8.0 H ALA 29 - HA SER 33 far 0 79 0 - 8.2-10.0 H GLU 30 - HA SER 33 far 0 50 0 - 8.3-9.7 H LYS 31 - HA SER 9 far 0 95 0 - 8.7-42.6 H ARG 23 - HA SER 9 far 0 89 0 - 9.3-34.9 H ARG 23 - HA SER 33 far 0 83 0 - 9.8-20.1 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 9 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 2.4-2.9 3.0=100 HB2 SER 60 - HA SER 107 far 0 93 0 - 5.5-10.7 HD3 PRO 117 - HA SER 107 far 0 57 0 - 5.6-8.5 HB2 SER 94 - HA SER 9 far 0 75 0 - 6.1-43.0 HB3 SER 60 - HA SER 107 far 0 93 0 - 6.2-10.9 HA3 GLY 75 - HA SER 33 far 0 70 0 - 6.8-8.0 HA2 GLY 111 - HA SER 107 far 0 98 0 - 7.1-10.6 HA3 GLY 111 - HA SER 107 far 0 76 0 - 8.3-11.1 Violated in 0 structures by 0.00 A. Peak 3502 from cnoeabs.peaks (3.96, 4.39, 58.42 ppm; 3.66 A): 2 out of 11 assignments used, quality = 1.00: * HB3 SER 107 + HA SER 107 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 106 + HA SER 107 OK 59 99 80 74 3.9-5.2 3510=27, 7551/3.0=17...(14) HB3 SER 106 - HA SER 107 far 0 87 0 - 4.3-4.8 HB3 SER 94 - HA SER 9 far 0 88 0 - 5.3-43.2 HD3 PRO 117 - HA SER 107 far 0 99 0 - 5.6-8.5 HA GLU 91 - HA SER 9 far 0 75 0 - 6.0-46.9 HA2 GLY 111 - HA SER 107 far 0 60 0 - 7.1-10.6 HA3 GLY 17 - HA SER 9 far 0 95 0 - 7.3-28.5 HA3 GLY 111 - HA SER 107 far 0 92 0 - 8.3-11.1 HA LEU 100 - HA SER 107 far 0 100 0 - 8.3-9.0 HA2 GLY 17 - HA SER 9 far 0 95 0 - 8.5-28.7 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 5 assignments used, quality = 1.00: * H ALA 108 + HA SER 107 OK 100 100 100 100 3.2-3.6 3.6=100 H ALA 109 + HA SER 107 OK 84 100 100 84 3.1-4.2 2.9/10852=45, ~10094=22...(14) H LEU 103 - HA SER 107 far 0 100 0 - 6.5-7.0 H VAL 20 - HA SER 9 far 0 79 0 - 7.8-31.5 H ASN 120 - HA SER 107 far 0 100 0 - 8.8-10.2 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 6 assignments used, quality = 0.98: * H SER 107 + HB2 SER 107 OK 88 100 100 88 2.1-3.7 4.1=64, 7552/7556=36...(7) H SER 33 + HB2 SER 33 OK 87 87 100 100 2.7-3.4 6367=95, 6368/1.8=74...(11) H LYS 31 - HB2 SER 33 far 0 87 0 - 7.2-8.0 H ARG 23 - HB2 SER 33 far 0 81 0 - 7.7-19.3 H ALA 29 - HB2 SER 33 far 0 77 0 - 8.8-10.9 H GLU 30 - HB2 SER 33 far 0 49 0 - 8.9-10.2 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 6 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 2.4-2.9 3.0=100 HA ASP 71 - HB2 SER 33 far 0 49 0 - 6.8-8.2 HA PRO 117 - HB2 SER 107 far 0 81 0 - 9.5-12.8 HA THR 115 - HB2 SER 107 far 0 95 0 - 9.5-12.2 HA PRO 113 - HB2 SER 107 far 0 90 0 - 9.8-13.2 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 7 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 0 99 0 - 4.1-7.3 HB3 SER 106 - HB2 SER 107 far 0 87 0 - 5.6-6.9 HA2 GLY 111 - HB2 SER 107 far 0 60 0 - 6.0-10.7 HA LEU 100 - HB2 SER 107 far 0 100 0 - 6.4-8.9 HD3 PRO 117 - HB2 SER 107 far 0 99 0 - 6.9-10.7 HA3 GLY 111 - HB2 SER 107 far 0 92 0 - 7.3-11.5 Violated in 0 structures by 0.00 A. Peak 3508 from cnoeabs.peaks (8.08, 3.92, 63.62 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: * H ALA 108 + HB2 SER 107 OK 100 100 100 100 1.9-4.4 4.7=100 H ALA 109 + HB2 SER 107 OK 100 100 100 100 2.6-5.1 4.6/7556=90, ~10094=90...(14) H LEU 103 + HB2 SER 107 OK 24 100 85 28 4.7-7.6 3.9/10780=10...(4) H ASN 120 - HB2 SER 107 far 0 100 0 - 8.8-11.6 H VAL 20 - HB2 SER 33 far 0 70 0 - 9.7-24.3 H THR 25 - HB2 SER 33 far 0 62 0 - 9.7-16.1 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 3 assignments used, quality = 1.00: * H SER 107 + HB3 SER 107 OK 100 100 100 100 2.2-3.7 4.1=100 H SER 107 + HB2 SER 106 OK 75 76 100 99 2.2-4.5 4.5=86, 7543/4.0=58...(9) H SER 107 + HB3 SER 106 OK 45 46 100 99 3.6-3.8 4.5=86, 7543/4.0=58...(12) Violated in 0 structures by 0.00 A. Peak 3510 from cnoeabs.peaks (4.39, 3.96, 63.62 ppm; 4.04 A): 2 out of 8 assignments used, quality = 1.00: * HA SER 107 + HB3 SER 107 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 107 + HB2 SER 106 OK 51 76 80 84 3.9-5.2 3502=38, 3.0/7551=21...(14) HA SER 107 - HB3 SER 106 poor 11 46 25 - 4.3-4.8 HA PRO 117 - HB2 SER 106 far 0 55 0 - 9.1-10.6 HA PRO 117 - HB3 SER 106 far 0 31 0 - 9.2-10.9 HA PRO 117 - HB3 SER 107 far 0 81 0 - 9.4-12.1 HA THR 115 - HB3 SER 106 far 0 40 0 - 9.5-12.9 HA THR 115 - HB2 SER 106 far 0 68 0 - 9.6-12.4 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 17 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 0 76 0 - 4.1-7.3 HB2 SER 60 - HB3 SER 107 far 0 93 0 - 4.4-9.0 HB3 SER 60 - HB3 SER 107 far 0 93 0 - 4.8-9.2 HD3 PRO 117 - HB3 SER 106 far 0 20 0 - 5.5-7.1 HA3 GLY 2 - HB2 SER 106 far 0 39 0 - 5.5-63.2 HD3 PRO 117 - HB2 SER 106 far 0 37 0 - 5.5-6.8 HB2 SER 107 - HB3 SER 106 far 0 46 0 - 5.6-6.9 HA3 GLY 2 - HB3 SER 106 far 0 22 0 - 6.3-64.0 HD3 PRO 117 - HB3 SER 107 far 0 57 0 - 6.9-9.9 HA2 GLY 2 - HB2 SER 106 far 0 39 0 - 6.9-63.8 HA2 GLY 111 - HB3 SER 107 far 0 98 0 - 7.3-10.2 HA2 GLY 2 - HB3 SER 106 far 0 22 0 - 7.6-64.6 HA3 GLY 111 - HB3 SER 107 far 0 76 0 - 8.5-11.3 HB2 SER 60 - HB3 SER 106 far 0 39 0 - 9.4-14.0 HB3 SER 60 - HB3 SER 106 far 0 39 0 - 9.8-14.3 HB2 SER 60 - HB2 SER 106 far 0 66 0 - 10.0-12.9 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): 2 out of 12 assignments used, quality = 1.00: * H ALA 108 + HB3 SER 107 OK 100 100 100 100 2.0-4.3 7557=100, 7556/1.8=78...(13) H ALA 109 + HB3 SER 107 OK 76 100 80 94 2.6-5.7 4.6/7557=47, ~10852=32...(15) H LEU 103 - HB3 SER 107 poor 20 100 20 - 4.7-7.5 H ALA 108 - HB2 SER 106 poor 15 76 20 - 4.6-5.8 H ALA 108 - HB3 SER 106 poor 9 46 20 - 4.7-6.2 H LEU 103 - HB2 SER 106 far 4 76 5 - 4.9-7.3 H ALA 109 - HB2 SER 106 far 0 76 0 - 5.1-7.7 H LEU 103 - HB3 SER 106 far 0 46 0 - 5.3-6.8 H ALA 109 - HB3 SER 106 far 0 46 0 - 5.3-8.0 H ASN 120 - HB3 SER 107 far 0 100 0 - 8.7-11.2 H ASN 120 - HB3 SER 106 far 0 45 0 - 9.7-12.1 H ASN 120 - HB2 SER 106 far 0 76 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 3514 from cnoeabs.peaks (8.08, 4.28, 52.75 ppm; 4.34 A): 5 out of 13 assignments used, quality = 1.00: * H ALA 108 + HA ALA 108 OK 100 100 100 100 2.3-2.8 3.0=100 H ALA 109 + HA ALA 108 OK 100 100 100 100 2.7-3.5 3.6=100 H ALA 109 + HA ALA 109 OK 59 59 100 100 2.6-2.9 3.0=100 H ALA 109 + HA ALA 110 OK 50 96 65 80 4.2-5.6 7567/3.6=22, ~7571=17...(16) H VAL 20 + HA ALA 21 OK 22 39 60 92 4.4-5.5 6173/3.0=68, ~6176=38...(7) H VAL 20 - HA ALA 16 far 8 77 10 - 4.0-9.3 H THR 25 - HA ALA 21 far 2 34 5 - 3.6-10.4 H ALA 108 - HA ALA 109 far 0 59 0 - 5.2-5.5 H ALA 108 - HA ALA 110 far 0 97 0 - 6.0-7.3 H VAL 20 - HA ALA 15 far 0 61 0 - 6.1-12.2 H VAL 20 - HA ALA 12 far 0 45 0 - 6.5-21.0 H LEU 103 - HA ALA 108 far 0 100 0 - 8.6-10.7 HD22 ASN 85 - HA ALA 15 far 0 78 0 - 9.1-47.1 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): 6 out of 34 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 HG2 LYS 24 - HA ALA 21 far 0 50 0 - 3.3-8.9 HG2 LYS 19 - HA ALA 16 far 0 73 0 - 3.4-8.5 QB ALA 108 - HA ALA 109 far 0 59 0 - 3.7-4.2 QB ALA 16 - HA ALA 15 far 0 58 0 - 3.7-4.5 QB ALA 15 - HA ALA 16 far 0 94 0 - 3.7-4.4 QB ALA 110 - HA ALA 109 far 0 59 0 - 3.7-4.0 QB ALA 109 - HA ALA 110 far 0 96 0 - 4.1-4.7 QB ALA 110 - HA ALA 108 far 0 100 0 - 4.2-5.9 QB ALA 15 - HA ALA 12 far 0 59 0 - 4.2-9.9 QB ALA 12 - HA ALA 15 far 0 48 0 - 4.3-10.0 QB ALA 109 - HA ALA 108 far 0 100 0 - 4.5-4.9 QB ALA 16 - HA ALA 21 far 0 36 0 - 5.1-10.0 HG2 LYS 19 - HA ALA 15 far 0 58 0 - 5.5-11.6 QB ALA 108 - HA ALA 110 far 0 97 0 - 5.6-6.9 QB ALA 12 - HA ALA 16 far 0 62 0 - 5.7-12.5 HG3 LYS 31 - HA ALA 21 far 0 50 0 - 6.0-24.0 HG2 LYS 19 - HA ALA 21 far 0 36 0 - 6.3-6.9 QB ALA 28 - HA ALA 21 far 0 51 0 - 6.6-18.3 HG3 LYS 31 - HA ALA 12 far 0 58 0 - 6.9-38.6 HG2 LYS 19 - HA ALA 12 far 0 42 0 - 7.0-21.6 QB ALA 15 - HA ALA 21 far 0 51 0 - 7.7-12.8 QB ALA 16 - HA ALA 12 far 0 42 0 - 7.9-12.9 HG2 LYS 95 - HA ALA 12 far 0 59 0 - 8.8-41.2 HG3 LYS 26 - HA ALA 21 far 0 51 0 - 8.9-15.7 HG3 LYS 95 - HA ALA 12 far 0 59 0 - 9.2-39.5 HG2 LYS 95 - HA ALA 15 far 0 78 0 - 9.4-49.0 HG3 LYS 31 - HA ALA 16 far 0 92 0 - 9.4-28.3 QB ALA 12 - HA ALA 21 far 0 30 0 - 10.0-19.8 Violated in 0 structures by 0.00 A. Peak 3517 from cnoeabs.peaks (8.08, 4.28, 52.75 ppm; 4.35 A): 4 out of 13 assignments used, quality = 1.00: * H ALA 109 + HA ALA 108 OK 100 100 100 100 2.7-3.5 3.6=100 H ALA 108 + HA ALA 108 OK 100 100 100 100 2.3-2.8 3.0=100 H ALA 109 + HA ALA 109 OK 59 59 100 100 2.6-2.9 3.0=100 H ALA 109 + HA ALA 110 OK 50 97 65 80 4.2-5.6 7567/3.6=22, ~7571=17...(16) H VAL 20 - HA ALA 21 poor 20 36 60 91 4.4-5.5 6173/3.0=63, ~6176=39...(7) H VAL 20 - HA ALA 16 far 7 73 10 - 4.0-9.3 H THR 25 - HA ALA 21 far 2 36 5 - 3.6-10.4 H ALA 108 - HA ALA 109 far 0 59 0 - 5.2-5.5 H ALA 108 - HA ALA 110 far 0 96 0 - 6.0-7.3 H VAL 20 - HA ALA 15 far 0 58 0 - 6.1-12.2 H VAL 20 - HA ALA 12 far 0 42 0 - 6.5-21.0 H LEU 103 - HA ALA 108 far 0 100 0 - 8.6-10.7 HD22 ASN 85 - HA ALA 15 far 0 78 0 - 9.1-47.1 Violated in 0 structures by 0.00 A. Peak 3518 from cnoeabs.peaks (8.08, 1.38, 19.17 ppm; 3.10 A): 3 out of 15 assignments used, quality = 1.00: * H ALA 108 + QB ALA 108 OK 100 100 100 100 2.0-2.7 2.9=100 H ALA 109 + QB ALA 109 OK 88 88 100 100 2.1-2.5 2.9=100 H ALA 109 + QB ALA 108 OK 70 100 95 74 2.7-3.7 3.7=60, 4.6/7559=28...(5) H ALA 109 - QB ALA 110 far 0 100 0 - 3.9-5.7 H ALA 108 - QB ALA 109 far 0 88 0 - 4.4-4.5 H VAL 20 - QB ALA 15 far 0 86 0 - 4.7-10.2 H THR 25 - QB ALA 28 far 0 76 0 - 5.1-10.7 H ALA 108 - QB ALA 110 far 0 100 0 - 5.9-7.4 HD22 ASN 85 - QB ALA 15 far 0 100 0 - 7.1-38.0 H THR 25 - QB ALA 29 far 0 74 0 - 7.1-12.7 H LEU 103 - QB ALA 108 far 0 100 0 - 7.8-9.1 H ASN 120 - QB ALA 109 far 0 87 0 - 8.0-9.4 H THR 25 - QB ALA 15 far 0 77 0 - 8.5-18.4 H LEU 103 - QB ALA 109 far 0 88 0 - 8.5-9.3 H VAL 20 - QB ALA 28 far 0 84 0 - 9.2-19.3 Violated in 0 structures by 0.00 A. Peak 3519 from cnoeabs.peaks (4.28, 1.38, 19.17 ppm; 2.50 A): 4 out of 40 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 ARG 23 - QB ALA 28 far 0 96 0 - 3.3-13.3 HA LEU 22 - QB ALA 28 far 0 96 0 - 3.6-16.6 HA ALA 109 - QB ALA 108 far 0 100 0 - 3.7-4.2 HA ALA 16 - QB ALA 15 far 0 100 0 - 3.7-4.4 HA ALA 109 - QB ALA 110 far 0 100 0 - 3.7-4.0 HB THR 115 - QB ALA 109 far 0 88 0 - 3.8-5.6 HA LYS 26 - QB ALA 28 far 0 97 0 - 3.8-7.7 HA ALA 110 - QB ALA 109 far 0 86 0 - 4.1-4.7 HA ALA 108 - QB ALA 110 far 0 100 0 - 4.2-5.9 HA ALA 12 - QB ALA 15 far 0 98 0 - 4.2-9.9 HA SER 74 - QB ALA 15 far 0 92 0 - 4.4-29.7 HA PHE 87 - QB ALA 15 far 0 95 0 - 4.5-35.2 HA ALA 108 - QB ALA 109 far 0 88 0 - 4.5-4.9 HA LYS 36 - QB ALA 29 far 0 98 0 - 5.2-8.8 HA THR 18 - QB ALA 15 far 0 91 0 - 5.3-9.1 HA THR 25 - QB ALA 29 far 0 89 0 - 5.3-11.5 HA LYS 31 - QB ALA 29 far 0 98 0 - 5.5-6.6 HA LYS 26 - QB ALA 29 far 0 96 0 - 5.6-9.5 HA THR 25 - QB ALA 28 far 0 91 0 - 5.6-10.0 HA ALA 110 - QB ALA 108 far 0 99 0 - 5.6-6.9 HA ALA 21 - QB ALA 28 far 0 92 0 - 6.6-18.3 HA LYS 31 - QB ALA 28 far 0 99 0 - 6.6-7.7 HA LYS 19 - QB ALA 15 far 0 97 0 - 6.9-12.4 HA LEU 22 - QB ALA 29 far 0 95 0 - 6.9-18.1 HB THR 115 - QB ALA 110 far 0 100 0 - 7.5-10.1 HA ALA 21 - QB ALA 15 far 0 94 0 - 7.7-12.8 HA ARG 23 - QB ALA 29 far 0 95 0 - 7.9-14.7 HB THR 115 - QB ALA 108 far 0 100 0 - 8.1-10.2 HA GLN 61 - QB ALA 110 far 0 100 0 - 8.1-10.2 HA ARG 84 - QB ALA 15 far 0 59 0 - 8.2-38.4 HA THR 18 - QB ALA 28 far 0 89 0 - 8.5-20.9 HA GLN 61 - QB ALA 109 far 0 87 0 - 8.6-10.2 HA LYS 19 - QB ALA 28 far 0 95 0 - 8.6-20.2 HA THR 25 - QB ALA 15 far 0 92 0 - 8.7-19.0 HA ARG 23 - QB ALA 15 far 0 97 0 - 8.9-15.3 HA LEU 22 - QB ALA 15 far 0 97 0 - 9.1-14.5 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): 3 out of 15 assignments used, quality = 1.00: H ALA 108 + QB ALA 108 OK 100 100 100 100 2.0-2.7 2.9=100 H ALA 109 + QB ALA 109 OK 88 88 100 100 2.1-2.5 2.9=100 * H ALA 109 + QB ALA 108 OK 70 100 95 74 2.7-3.7 3.7=60, 4.6/7559=28...(5) H ALA 109 - QB ALA 110 far 0 100 0 - 3.9-5.7 H ALA 108 - QB ALA 109 far 0 88 0 - 4.4-4.5 H VAL 20 - QB ALA 15 far 0 82 0 - 4.7-10.2 H THR 25 - QB ALA 28 far 0 80 0 - 5.1-10.7 H ALA 108 - QB ALA 110 far 0 100 0 - 5.9-7.4 HD22 ASN 85 - QB ALA 15 far 0 100 0 - 7.1-38.0 H THR 25 - QB ALA 29 far 0 78 0 - 7.1-12.7 H LEU 103 - QB ALA 108 far 0 100 0 - 7.8-9.1 H ASN 120 - QB ALA 109 far 0 86 0 - 8.0-9.4 H THR 25 - QB ALA 15 far 0 82 0 - 8.5-18.4 H LEU 103 - QB ALA 109 far 0 88 0 - 8.5-9.3 H VAL 20 - QB ALA 28 far 0 80 0 - 9.2-19.3 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 13 assignments used, quality = 1.00: * H ALA 109 + HA ALA 109 OK 100 100 100 100 2.6-2.9 3.0=100 H ALA 108 + HA ALA 109 OK 77 100 100 77 5.2-5.5 ~7564=32, ~7566=32...(5) H VAL 20 + HA ALA 21 OK 62 62 100 99 4.4-5.5 6175/3.0=80, ~6176=73...(7) H ALA 109 + HA ALA 110 OK 60 62 100 96 4.2-5.6 7567/3.6=35, ~7571=31...(16) H ALA 109 + HA ALA 108 OK 59 59 100 100 2.7-3.5 3.6=100 H ALA 108 + HA ALA 108 OK 59 59 100 100 2.3-2.8 3.0=100 H ALA 108 - HA ALA 110 poor 12 62 20 - 6.0-7.3 H VAL 20 - HA ALA 16 far 10 69 15 - 4.0-9.3 H VAL 20 - HA ALA 15 far 3 69 5 - 6.1-12.2 H THR 25 - HA ALA 21 far 3 62 5 - 3.6-10.4 H VAL 20 - HA ALA 12 far 0 75 0 - 6.5-21.0 H LEU 103 - HA ALA 108 far 0 59 0 - 8.6-10.7 HD22 ASN 85 - HA ALA 15 far 0 90 0 - 9.1-47.1 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): 6 out of 34 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 HG2 LYS 24 - HA ALA 21 far 0 79 0 - 3.3-8.9 HG2 LYS 19 - HA ALA 16 far 0 60 0 - 3.4-8.5 QB ALA 108 - HA ALA 109 far 0 100 0 - 3.7-4.2 QB ALA 16 - HA ALA 15 far 0 76 0 - 3.7-4.5 QB ALA 15 - HA ALA 16 far 0 88 0 - 3.7-4.4 QB ALA 110 - HA ALA 109 far 0 99 0 - 3.7-4.0 QB ALA 109 - HA ALA 110 far 0 62 0 - 4.1-4.7 QB ALA 110 - HA ALA 108 far 0 57 0 - 4.2-5.9 QB ALA 15 - HA ALA 12 far 0 94 0 - 4.2-9.9 QB ALA 12 - HA ALA 15 far 0 48 0 - 4.3-10.0 QB ALA 109 - HA ALA 108 far 0 59 0 - 4.5-4.9 QB ALA 16 - HA ALA 21 far 0 69 0 - 5.1-10.0 HG2 LYS 19 - HA ALA 15 far 0 60 0 - 5.5-11.6 QB ALA 108 - HA ALA 110 far 0 62 0 - 5.6-6.9 QB ALA 12 - HA ALA 16 far 0 49 0 - 5.7-12.5 HG3 LYS 31 - HA ALA 21 far 0 83 0 - 6.0-24.0 HG2 LYS 19 - HA ALA 21 far 0 54 0 - 6.3-6.9 QB ALA 28 - HA ALA 21 far 0 82 0 - 6.6-18.3 HG3 LYS 31 - HA ALA 12 far 0 95 0 - 6.9-38.6 HG2 LYS 19 - HA ALA 12 far 0 66 0 - 7.0-21.6 QB ALA 15 - HA ALA 21 far 0 81 0 - 7.7-12.8 QB ALA 16 - HA ALA 12 far 0 82 0 - 7.9-12.9 HG2 LYS 95 - HA ALA 12 far 0 95 0 - 8.8-41.2 HG3 LYS 26 - HA ALA 21 far 0 80 0 - 8.9-15.7 HG3 LYS 95 - HA ALA 12 far 0 95 0 - 9.2-39.5 HG2 LYS 95 - HA ALA 15 far 0 90 0 - 9.4-49.0 HG3 LYS 31 - HA ALA 16 far 0 90 0 - 9.4-28.3 QB ALA 12 - HA ALA 21 far 0 43 0 - 10.0-19.8 Violated in 0 structures by 0.00 A. Peak 3525 from cnoeabs.peaks (8.30, 4.28, 52.35 ppm; 3.11 A): 5 out of 16 assignments used, quality = 1.00: H ALA 21 + HA ALA 21 OK 80 80 100 100 2.8-2.9 3.0=100 * H ALA 110 + HA ALA 109 OK 79 100 100 79 2.1-3.6 3.6=66, 7571/2.1=28...(7) 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 57 71 100 81 2.1-3.6 3.6=66, 6127/3.0=31...(6) H GLY 111 + HA ALA 110 OK 51 62 100 81 2.5-3.5 3.6=66, 7578/2.1=24...(9) H GLY 111 - HA ALA 109 poor 20 100 20 - 3.5-5.6 H ALA 110 - HA ALA 108 poor 15 59 25 - 3.4-5.6 H GLY 17 - HA ALA 15 far 0 71 0 - 4.1-6.2 H ALA 21 - HA ALA 16 far 0 88 0 - 4.4-9.8 H GLY 17 - HA ALA 21 far 0 64 0 - 5.7-9.4 H GLY 111 - HA ALA 108 far 0 59 0 - 5.8-7.2 H TYR 72 - HA ALA 15 far 0 67 0 - 7.1-38.7 H ALA 28 - HA ALA 21 far 0 50 0 - 7.3-19.2 H ALA 21 - HA ALA 15 far 0 87 0 - 8.1-12.1 H GLY 17 - HA ALA 12 far 0 77 0 - 8.4-16.0 H ALA 21 - HA ALA 12 far 0 93 0 - 8.9-21.8 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 16 assignments used, quality = 1.00: * H ALA 109 + QB ALA 109 OK 100 100 100 100 2.1-2.5 2.9=100 H ALA 108 + QB ALA 109 OK 96 100 100 96 4.4-4.5 7559/4.6=60...(9) H ALA 109 + QB ALA 108 OK 88 88 100 100 2.7-3.7 3.7=100 H ALA 108 + QB ALA 108 OK 88 88 100 100 2.0-2.7 2.9=100 H ALA 109 + QB ALA 110 OK 39 85 55 83 3.9-5.7 7567/3.7=21, ~7571=17...(16) H VAL 20 - QB ALA 15 far 3 59 5 - 4.7-10.2 H THR 25 - QB ALA 28 far 0 53 0 - 5.1-10.7 H VAL 20 - QB ALA 16 far 0 32 0 - 5.3-8.3 H ALA 108 - QB ALA 110 far 0 85 0 - 5.9-7.4 HD22 ASN 85 - QB ALA 15 far 0 80 0 - 7.1-38.0 H THR 25 - QB ALA 29 far 0 50 0 - 7.1-12.7 H LEU 103 - QB ALA 108 far 0 88 0 - 7.8-9.1 H ASN 120 - QB ALA 109 far 0 99 0 - 8.0-9.4 H THR 25 - QB ALA 15 far 0 59 0 - 8.5-18.4 H LEU 103 - QB ALA 109 far 0 100 0 - 8.5-9.3 H VAL 20 - QB ALA 28 far 0 53 0 - 9.2-19.3 Violated in 0 structures by 0.00 A. Peak 3527 from cnoeabs.peaks (4.28, 1.39, 19.38 ppm; 2.66 A): 5 out of 51 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 ARG 23 - QB ALA 28 far 0 69 0 - 3.3-13.3 HA LEU 22 - QB ALA 28 far 0 69 0 - 3.6-16.6 HA ALA 109 - QB ALA 108 far 0 88 0 - 3.7-4.2 HA ALA 15 - QB ALA 16 far 0 43 0 - 3.7-4.5 HA ALA 16 - QB ALA 15 far 0 80 0 - 3.7-4.4 HA ALA 109 - QB ALA 110 far 0 85 0 - 3.7-4.0 HB THR 115 - QB ALA 109 far 0 100 0 - 3.8-5.6 HA LYS 26 - QB ALA 28 far 0 69 0 - 3.8-7.7 HA ALA 110 - QB ALA 109 far 0 99 0 - 4.1-4.7 HA ALA 108 - QB ALA 110 far 0 85 0 - 4.2-5.9 HA ALA 12 - QB ALA 15 far 0 76 0 - 4.2-9.9 HA SER 74 - QB ALA 15 far 0 69 0 - 4.4-29.7 HA PHE 87 - QB ALA 15 far 0 72 0 - 4.5-35.2 HA ALA 108 - QB ALA 109 far 0 100 0 - 4.5-4.9 HA THR 18 - QB ALA 16 far 0 38 0 - 4.6-7.0 HA ALA 21 - QB ALA 16 far 0 40 0 - 5.1-10.0 HA LYS 36 - QB ALA 29 far 0 68 0 - 5.2-8.8 HA THR 18 - QB ALA 15 far 0 68 0 - 5.3-9.1 HA THR 25 - QB ALA 29 far 0 59 0 - 5.3-11.5 HA LYS 31 - QB ALA 29 far 0 68 0 - 5.5-6.6 HA LYS 26 - QB ALA 29 far 0 65 0 - 5.6-9.5 HA THR 25 - QB ALA 28 far 0 63 0 - 5.6-10.0 HA ALA 110 - QB ALA 108 far 0 86 0 - 5.6-6.9 HA LYS 19 - QB ALA 16 far 0 42 0 - 6.1-9.7 HA SER 74 - QB ALA 16 far 0 39 0 - 6.5-32.4 HA ALA 21 - QB ALA 28 far 0 64 0 - 6.6-18.3 HA LYS 31 - QB ALA 28 far 0 73 0 - 6.6-7.7 HA LYS 19 - QB ALA 15 far 0 74 0 - 6.9-12.4 HA LEU 22 - QB ALA 29 far 0 64 0 - 6.9-18.1 HB THR 115 - QB ALA 110 far 0 84 0 - 7.5-10.1 HA ALA 21 - QB ALA 15 far 0 71 0 - 7.7-12.8 HA LYS 31 - QB ALA 16 far 0 46 0 - 7.9-25.4 HA ALA 12 - QB ALA 16 far 0 43 0 - 7.9-12.9 HA PHE 87 - QB ALA 16 far 0 40 0 - 7.9-37.2 HA ARG 23 - QB ALA 29 far 0 64 0 - 7.9-14.7 HB THR 115 - QB ALA 108 far 0 88 0 - 8.1-10.2 HA GLN 61 - QB ALA 110 far 0 84 0 - 8.1-10.2 HA ARG 84 - QB ALA 15 far 0 41 0 - 8.2-38.4 HA THR 18 - QB ALA 28 far 0 61 0 - 8.5-20.9 HA GLN 61 - QB ALA 109 far 0 100 0 - 8.6-10.2 HA LYS 19 - QB ALA 28 far 0 68 0 - 8.6-20.2 HA LEU 22 - QB ALA 16 far 0 43 0 - 8.7-13.1 HA THR 25 - QB ALA 15 far 0 69 0 - 8.7-19.0 HA ARG 23 - QB ALA 15 far 0 75 0 - 8.9-15.3 HA LEU 22 - QB ALA 15 far 0 75 0 - 9.1-14.5 HA ARG 23 - QB ALA 16 far 0 43 0 - 9.7-14.0 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): 10 out of 19 assignments used, quality = 1.00: * H ALA 110 + QB ALA 109 OK 100 100 100 100 2.4-3.5 3.7=100 H GLY 111 + QB ALA 109 OK 100 100 100 100 2.0-3.3 7583/10136=96...(9) H ALA 110 + QB ALA 110 OK 85 85 100 100 2.0-2.9 2.9=100 H GLY 111 + QB ALA 110 OK 85 85 100 100 2.8-3.7 3.7=100 H ALA 110 + QB ALA 108 OK 65 88 100 73 4.4-5.6 4.7/7566=46, 7571/4.6=44...(4) H GLY 111 + QB ALA 108 OK 63 88 100 71 6.4-7.2 7578/4.6=50, 7567/3.7=41 H GLY 17 + QB ALA 15 OK 54 61 100 88 2.3-5.8 6127/3.7=84, 7578/4.7=13 H ALA 28 + QB ALA 28 OK 42 42 100 100 2.1-3.1 2.9=100 H ALA 28 + QB ALA 29 OK 39 39 100 99 4.3-5.9 6304/4.7=55, ~6334=42...(13) H GLY 17 + QB ALA 16 OK 33 33 100 100 2.0-3.7 3.7=100 H ALA 21 - QB ALA 16 poor 15 44 35 - 5.2-8.7 H LEU 69 - QB ALA 15 far 4 79 5 - 6.9-33.9 H ALA 21 - QB ALA 15 far 4 77 5 - 6.4-11.1 H ALA 21 - QB ALA 28 far 4 70 5 - 7.3-18.4 H TYR 72 - QB ALA 15 far 3 57 5 - 4.8-30.8 H LEU 96 - QB ALA 15 far 0 47 0 - 8.2-36.7 H SER 99 - QB ALA 15 far 0 75 0 - 9.5-37.2 H TYR 72 - QB ALA 16 far 0 31 0 - 9.6-33.7 H LEU 96 - QB ALA 16 far 0 25 0 - 10.0-39.8 Violated in 0 structures by 0.00 A. Peak 3530 from cnoeabs.peaks (8.30, 4.28, 52.70 ppm; 3.52 A): 5 out of 16 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 98 100 100 98 2.5-3.5 3.6=96, 7578/2.1=29...(11) H ALA 21 + HA ALA 21 OK 71 71 100 100 2.8-2.9 3.0=100 H GLY 17 + HA ALA 16 OK 71 72 100 98 2.1-3.6 3.6=96, 6127/3.0=41...(6) H ALA 110 + HA ALA 109 OK 61 62 100 98 2.1-3.6 3.6=96, 7571/2.1=35...(7) H GLY 111 - HA ALA 109 poor 19 62 40 77 3.5-5.6 7578/2.1=40, 4.5/7572=16...(10) H GLY 17 - HA ALA 15 far 4 73 5 - 4.1-6.2 H ALA 110 - HA ALA 108 lone 2 97 50 5 3.4-5.6 11478/11966=2, 3529/2.1=2 H ALA 21 - HA ALA 16 far 0 88 0 - 4.4-9.8 H GLY 17 - HA ALA 21 far 0 56 0 - 5.7-9.4 H GLY 111 - HA ALA 108 far 0 96 0 - 5.8-7.2 H TYR 72 - HA ALA 15 far 0 68 0 - 7.1-38.7 H ALA 28 - HA ALA 21 far 0 43 0 - 7.3-19.2 H ALA 21 - HA ALA 15 far 0 89 0 - 8.1-12.1 H GLY 17 - HA ALA 12 far 0 57 0 - 8.4-16.0 H ALA 21 - HA ALA 12 far 0 72 0 - 8.9-21.8 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): 6 out of 34 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 HG2 LYS 24 - HA ALA 21 far 0 73 0 - 3.3-8.9 HG2 LYS 19 - HA ALA 16 far 0 74 0 - 3.4-8.5 QB ALA 108 - HA ALA 109 far 0 62 0 - 3.7-4.2 QB ALA 16 - HA ALA 15 far 0 66 0 - 3.7-4.5 QB ALA 15 - HA ALA 16 far 0 91 0 - 3.7-4.4 QB ALA 110 - HA ALA 109 far 0 62 0 - 3.7-4.0 QB ALA 109 - HA ALA 110 far 0 99 0 - 4.1-4.7 QB ALA 110 - HA ALA 108 far 0 97 0 - 4.2-5.9 QB ALA 15 - HA ALA 12 far 0 75 0 - 4.2-9.9 QB ALA 12 - HA ALA 15 far 0 64 0 - 4.3-10.0 QB ALA 109 - HA ALA 108 far 0 95 0 - 4.5-4.9 QB ALA 16 - HA ALA 21 far 0 50 0 - 5.1-10.0 HG2 LYS 19 - HA ALA 15 far 0 74 0 - 5.5-11.6 QB ALA 108 - HA ALA 110 far 0 100 0 - 5.6-6.9 QB ALA 12 - HA ALA 16 far 0 63 0 - 5.7-12.5 HG3 LYS 31 - HA ALA 21 far 0 70 0 - 6.0-24.0 HG2 LYS 19 - HA ALA 21 far 0 57 0 - 6.3-6.9 QB ALA 28 - HA ALA 21 far 0 74 0 - 6.6-18.3 HG3 LYS 31 - HA ALA 12 far 0 72 0 - 6.9-38.6 HG2 LYS 19 - HA ALA 12 far 0 59 0 - 7.0-21.6 QB ALA 15 - HA ALA 21 far 0 74 0 - 7.7-12.8 QB ALA 16 - HA ALA 12 far 0 51 0 - 7.9-12.9 HG2 LYS 95 - HA ALA 12 far 0 74 0 - 8.8-41.2 HG3 LYS 26 - HA ALA 21 far 0 74 0 - 8.9-15.7 HG3 LYS 95 - HA ALA 12 far 0 74 0 - 9.2-39.5 HG2 LYS 95 - HA ALA 15 far 0 90 0 - 9.4-49.0 HG3 LYS 31 - HA ALA 16 far 0 88 0 - 9.4-28.3 QB ALA 12 - HA ALA 21 far 0 49 0 - 10.0-19.8 Violated in 0 structures by 0.00 A. Peak 3533 from cnoeabs.peaks (8.30, 4.28, 52.70 ppm; 3.53 A): 6 out of 16 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 98 100 100 98 2.5-3.5 3.6=97, 7578/2.1=29...(11) H GLY 17 + HA ALA 16 OK 74 76 100 98 2.1-3.6 3.6=97, 6127/3.0=43...(6) H ALA 21 + HA ALA 21 OK 72 72 100 100 2.8-2.9 3.0=100 H ALA 110 + HA ALA 109 OK 61 62 100 98 2.1-3.6 3.6=97, 7571/2.1=35...(7) H GLY 111 + HA ALA 109 OK 24 62 50 77 3.5-5.6 7578/2.1=40, 4.5/7572=17...(10) H GLY 17 - HA ALA 15 far 4 76 5 - 4.1-6.2 H ALA 110 - HA ALA 108 lone 2 96 50 5 3.4-5.6 11478/11966=2, 3529/2.1=2 H ALA 21 - HA ALA 16 far 0 90 0 - 4.4-9.8 H GLY 17 - HA ALA 21 far 0 59 0 - 5.7-9.4 H GLY 111 - HA ALA 108 far 0 97 0 - 5.8-7.2 H TYR 72 - HA ALA 15 far 0 73 0 - 7.1-38.7 H ALA 28 - HA ALA 21 far 0 47 0 - 7.3-19.2 H ALA 21 - HA ALA 15 far 0 90 0 - 8.1-12.1 H GLY 17 - HA ALA 12 far 0 60 0 - 8.4-16.0 H ALA 21 - HA ALA 12 far 0 74 0 - 8.9-21.8 Violated in 0 structures by 0.00 A. Peak 3534 from cnoeabs.peaks (8.30, 1.38, 19.16 ppm; 3.09 A): 5 out of 15 assignments used, quality = 1.00: * H ALA 110 + QB ALA 110 OK 100 100 100 100 2.0-2.9 2.9=100 H GLY 111 + QB ALA 109 OK 72 85 100 85 2.0-3.3 7578=50, 7583/10136=24...(9) H ALA 110 + QB ALA 109 OK 67 85 100 80 2.4-3.5 3.7=58, 7570/2.1=28...(9) H ALA 28 + QB ALA 28 OK 66 66 100 100 2.1-3.1 2.9=100 H GLY 111 + QB ALA 110 OK 56 100 65 87 2.8-3.7 3.7=58, 7577/2.1=47...(8) H GLY 17 - QB ALA 15 poor 8 85 30 31 2.3-5.8 6127/3.7=25, 6131=4, 7578/4.7=4 H ALA 28 - QB ALA 29 far 0 66 0 - 4.3-5.9 H ALA 110 - QB ALA 108 far 0 100 0 - 4.4-5.6 H TYR 72 - QB ALA 15 far 0 80 0 - 4.8-30.8 H GLY 111 - QB ALA 108 far 0 100 0 - 6.4-7.2 H ALA 21 - QB ALA 15 far 0 99 0 - 6.4-11.1 H LEU 69 - QB ALA 15 far 0 100 0 - 6.9-33.9 H ALA 21 - QB ALA 28 far 0 98 0 - 7.3-18.4 H LEU 96 - QB ALA 15 far 0 68 0 - 8.2-36.7 H SER 99 - QB ALA 15 far 0 98 0 - 9.5-37.2 Violated in 0 structures by 0.00 A. Peak 3535 from cnoeabs.peaks (4.28, 1.38, 19.16 ppm; 2.50 A): 4 out of 40 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 ARG 23 - QB ALA 28 far 0 99 0 - 3.3-13.3 HA LEU 22 - QB ALA 28 far 0 88 0 - 3.6-16.6 HA ALA 109 - QB ALA 108 far 0 99 0 - 3.7-4.2 HA ALA 16 - QB ALA 15 far 0 98 0 - 3.7-4.4 HA ALA 109 - QB ALA 110 far 0 99 0 - 3.7-4.0 HB THR 115 - QB ALA 109 far 0 79 0 - 3.8-5.6 HA LYS 26 - QB ALA 28 far 0 90 0 - 3.8-7.7 HA ALA 110 - QB ALA 109 far 0 85 0 - 4.1-4.7 HA ALA 108 - QB ALA 110 far 0 99 0 - 4.2-5.9 HA ALA 12 - QB ALA 15 far 0 100 0 - 4.2-9.9 HA SER 74 - QB ALA 15 far 0 99 0 - 4.4-29.7 HA PHE 87 - QB ALA 15 far 0 85 0 - 4.5-35.2 HA ALA 108 - QB ALA 109 far 0 82 0 - 4.5-4.9 HA LYS 36 - QB ALA 29 far 0 96 0 - 5.2-8.8 HA THR 18 - QB ALA 15 far 0 98 0 - 5.3-9.1 HA THR 25 - QB ALA 29 far 0 98 0 - 5.3-11.5 HA LYS 31 - QB ALA 29 far 0 98 0 - 5.5-6.6 HA LYS 26 - QB ALA 29 far 0 90 0 - 5.6-9.5 HA THR 25 - QB ALA 28 far 0 98 0 - 5.6-10.0 HA ALA 110 - QB ALA 108 far 0 100 0 - 5.6-6.9 HA ALA 21 - QB ALA 28 far 0 98 0 - 6.6-18.3 HA LYS 31 - QB ALA 28 far 0 98 0 - 6.6-7.7 HA LYS 19 - QB ALA 15 far 0 88 0 - 6.9-12.4 HA LEU 22 - QB ALA 29 far 0 88 0 - 6.9-18.1 HB THR 115 - QB ALA 110 far 0 97 0 - 7.5-10.1 HA ALA 21 - QB ALA 15 far 0 99 0 - 7.7-12.8 HA ARG 23 - QB ALA 29 far 0 99 0 - 7.9-14.7 HB THR 115 - QB ALA 108 far 0 97 0 - 8.1-10.2 HA GLN 61 - QB ALA 110 far 0 100 0 - 8.1-10.2 HA TYR 76 - QB ALA 15 far 0 62 0 - 8.3-30.1 HA THR 18 - QB ALA 28 far 0 97 0 - 8.5-20.9 HA GLN 61 - QB ALA 109 far 0 84 0 - 8.6-10.2 HA LYS 19 - QB ALA 28 far 0 87 0 - 8.6-20.2 HA THR 25 - QB ALA 15 far 0 99 0 - 8.7-19.0 HA ARG 23 - QB ALA 15 far 0 100 0 - 8.9-15.3 HA LEU 22 - QB ALA 15 far 0 90 0 - 9.1-14.5 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): 5 out of 15 assignments used, quality = 1.00: H ALA 110 + QB ALA 110 OK 100 100 100 100 2.0-2.9 2.9=100 H GLY 111 + QB ALA 109 OK 72 85 100 85 2.0-3.3 7578=50, 7583/10136=24...(9) H ALA 28 + QB ALA 28 OK 71 71 100 100 2.1-3.1 2.9=100 H ALA 110 + QB ALA 109 OK 67 85 100 79 2.4-3.5 3.7=57, 7570/2.1=27...(9) * H GLY 111 + QB ALA 110 OK 56 100 65 86 2.8-3.7 3.7=57, 7577/2.1=47...(8) H GLY 17 - QB ALA 15 poor 9 88 30 32 2.3-5.8 6127/3.7=26, 6131=4, 7578/4.7=4 H ALA 28 - QB ALA 29 far 0 71 0 - 4.3-5.9 H ALA 110 - QB ALA 108 far 0 100 0 - 4.4-5.6 H TYR 72 - QB ALA 15 far 0 85 0 - 4.8-30.8 H GLY 111 - QB ALA 108 far 0 100 0 - 6.4-7.2 H ALA 21 - QB ALA 15 far 0 100 0 - 6.4-11.1 H LEU 69 - QB ALA 15 far 0 100 0 - 6.9-33.9 H ALA 21 - QB ALA 28 far 0 99 0 - 7.3-18.4 H LEU 96 - QB ALA 15 far 0 62 0 - 8.2-36.7 H SER 99 - QB ALA 15 far 0 96 0 - 9.5-37.2 Violated in 0 structures by 0.00 A. Peak 3538 from cnoeabs.peaks (8.30, 3.93, 45.11 ppm; 3.95 A): 2 out of 8 assignments used, quality = 1.00: * H GLY 111 + HA2 GLY 111 OK 100 100 100 100 2.3-2.7 3.0=100 H GLY 111 + HA3 GLY 111 OK 81 81 100 100 2.8-3.0 3.0=100 H ALA 110 - HA2 GLY 111 far 0 100 0 - 4.8-5.7 H ALA 110 - HA3 GLY 111 far 0 80 0 - 5.2-5.4 H GLY 17 - HA2 GLY 14 far 0 66 0 - 5.4-9.3 H GLY 17 - HA3 GLY 14 far 0 69 0 - 5.9-9.5 H ALA 21 - HA3 GLY 14 far 0 83 0 - 9.3-15.6 H TYR 72 - HA2 GLY 14 far 0 63 0 - 10.0-35.5 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 4 assignments used, quality = 1.00: * H VAL 112 + HA2 GLY 111 OK 100 100 100 100 2.2-3.5 3.6=100 H VAL 112 + HA3 GLY 111 OK 81 81 100 100 2.2-3.6 3.6=100 HD22 ASN 116 - HA2 GLY 111 far 0 87 0 - 7.9-10.8 HD22 ASN 116 - HA3 GLY 111 far 0 64 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 3542 from cnoeabs.peaks (8.30, 3.94, 45.11 ppm; 4.20 A): 4 out of 8 assignments used, quality = 1.00: * H GLY 111 + HA3 GLY 111 OK 100 100 100 100 2.8-3.0 3.0=100 H GLY 111 + HA2 GLY 111 OK 81 81 100 100 2.3-2.7 3.0=100 H GLY 17 + HA3 GLY 17 OK 56 56 100 100 2.3-2.9 3.0=100 H GLY 17 + HA2 GLY 17 OK 56 56 100 100 2.3-3.0 3.0=100 H ALA 21 - HA2 GLY 17 far 10 69 15 - 4.6-6.9 H ALA 21 - HA3 GLY 17 far 7 69 10 - 4.6-6.5 H ALA 110 - HA2 GLY 111 far 0 80 0 - 4.8-5.7 H ALA 110 - HA3 GLY 111 far 0 100 0 - 5.2-5.4 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 4 assignments used, quality = 1.00: * H VAL 112 + HA3 GLY 111 OK 100 100 100 100 2.2-3.6 3.6=100 H VAL 112 + HA2 GLY 111 OK 81 81 100 100 2.2-3.5 3.6=100 HD22 ASN 116 - HA2 GLY 111 far 0 64 0 - 7.9-10.8 HD22 ASN 116 - HA3 GLY 111 far 0 87 0 - 9.4-11.6 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 2 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 - 8.5-10.5 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 3.0-3.0 3.0=100 HB2 PRO 56 - HA VAL 112 far 0 87 0 - 6.2-7.5 HB VAL 57 - HA VAL 112 far 0 63 0 - 8.3-9.7 HB3 GLN 61 - HA VAL 112 far 0 89 0 - 9.4-10.9 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 5 assignments used, quality = 1.00: * QG2 VAL 112 + HA VAL 112 OK 100 100 100 100 2.5-2.6 3.2=100 QD1 LEU 119 - HA VAL 112 far 0 87 0 - 5.2-6.3 QD1 LEU 62 - HA VAL 112 far 0 97 0 - 6.8-8.6 QG1 VAL 57 - HA VAL 112 far 0 71 0 - 7.9-8.9 QG2 VAL 63 - HA VAL 112 far 0 95 0 - 9.9-11.3 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 4 assignments used, quality = 1.00: * QG1 VAL 112 + HA VAL 112 OK 100 100 100 100 2.2-2.3 3.2=93, 2.1/3557=67...(19) QD1 LEU 119 - HA VAL 112 far 0 68 0 - 5.2-6.3 QG1 VAL 57 - HA VAL 112 far 0 85 0 - 7.9-8.9 QD2 LEU 53 - HA VAL 112 far 0 100 0 - 8.7-10.5 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 2 assignments used, quality = 1.00: * H VAL 112 + HB VAL 112 OK 100 100 100 100 2.8-3.7 7587=100, 3556/2.1=72...(13) HD22 ASN 116 - HB VAL 112 far 0 87 0 - 5.8-7.8 Violated in 1 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 3.0-3.0 3.0=100 HA THR 115 - HB VAL 112 far 0 81 0 - 4.5-6.7 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 QD1 LEU 119 - HB VAL 112 far 0 87 0 - 3.9-4.4 QD1 LEU 62 - HB VAL 112 far 0 97 0 - 6.3-7.6 QG1 VAL 57 - HB VAL 112 far 0 71 0 - 8.4-9.8 QG1 VAL 118 - HB VAL 112 far 0 73 0 - 8.5-9.8 QG2 VAL 63 - HB VAL 112 far 0 95 0 - 8.5-9.9 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 4 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 - 3.9-4.4 QD2 LEU 53 - HB VAL 112 far 0 100 0 - 7.9-9.5 QG1 VAL 57 - HB VAL 112 far 0 85 0 - 8.4-9.8 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 2 assignments used, quality = 1.00: * H VAL 112 + QG2 VAL 112 OK 100 100 100 100 2.5-2.9 7588=92, 7587/2.1=53...(15) HD22 ASN 116 - QG2 VAL 112 far 0 87 0 - 5.7-7.3 Violated in 2 structures by 0.00 A. Peak 3557 from cnoeabs.peaks (4.42, 0.92, 20.16 ppm; 3.04 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 112 + QG2 VAL 112 OK 100 100 100 100 2.5-2.6 3549=90, 3550/2.1=62...(17) HA THR 115 - QG2 VAL 112 far 0 81 0 - 5.3-6.9 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 0 87 0 - 7.4-8.4 HB VAL 57 - QG2 VAL 112 far 0 63 0 - 7.9-8.9 HB3 GLN 61 - QG2 VAL 112 far 0 89 0 - 8.1-9.2 HB2 GLN 61 - QG2 VAL 112 far 0 83 0 - 8.9-10.3 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 4 assignments used, quality = 1.00: * QG1 VAL 112 + QG2 VAL 112 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 119 - QG2 VAL 112 far 0 68 0 - 4.8-5.3 QG1 VAL 57 - QG2 VAL 112 far 0 85 0 - 7.7-8.5 QD2 LEU 53 - QG2 VAL 112 far 0 100 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 3561 from cnoeabs.peaks (7.93, 0.97, 20.69 ppm; 4.19 A increased from 3.94 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 112 + QG1 VAL 112 OK 100 100 100 100 3.9-4.0 4.0=100 HD22 ASN 116 - QG1 VAL 112 far 0 87 0 - 6.1-8.2 HD22 ASN 116 - QG1 VAL 105 far 0 53 0 - 7.8-9.5 H ASP 64 - QG1 VAL 105 far 0 43 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 3562 from cnoeabs.peaks (4.42, 0.97, 20.69 ppm; 3.18 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 112 + QG1 VAL 112 OK 100 100 100 100 2.2-2.3 3550=100, 3557/2.1=69...(20) HA THR 115 + QG1 VAL 112 OK 51 81 65 98 3.4-4.3 3.2/11552=48...(21) HA SER 9 - QG1 VAL 105 far 0 36 0 - 6.2-36.4 HA HIS 5 - QG1 VAL 105 far 0 63 0 - 7.8-41.3 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 5 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 - 7.1-8.5 HB VAL 57 - QG1 VAL 112 far 0 63 0 - 8.4-9.9 HB3 GLN 61 - QG1 VAL 112 far 0 89 0 - 9.2-10.8 HB2 GLU 97 - QG1 VAL 105 far 0 50 0 - 9.5-10.6 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 10 assignments used, quality = 1.00: * QG2 VAL 112 + QG1 VAL 112 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 119 - QG1 VAL 112 far 0 87 0 - 3.9-5.0 QG2 VAL 63 - QG1 VAL 105 far 0 61 0 - 5.3-5.6 QG1 VAL 118 - QG1 VAL 105 far 0 43 0 - 6.2-6.9 QD1 LEU 62 - QG1 VAL 112 far 0 97 0 - 6.5-7.8 QG1 VAL 57 - QG1 VAL 112 far 0 71 0 - 8.0-9.1 QG1 VAL 118 - QG1 VAL 112 far 0 73 0 - 8.2-9.6 QG2 VAL 63 - QG1 VAL 112 far 0 95 0 - 8.7-10.0 QD1 LEU 119 - QG1 VAL 105 far 0 53 0 - 9.4-10.4 QD1 LEU 62 - QG1 VAL 105 far 0 64 0 - 9.7-10.1 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 2 assignments used, quality = 1.00: * HA VAL 112 + HD2 PRO 113 OK 100 100 100 100 2.2-2.2 3567=100, 3569/1.8=79...(28) HA THR 115 - HD2 PRO 113 far 0 81 0 - 5.4-6.0 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 2.2-2.2 3566=97, 1.8/3569=70...(27) 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 5 assignments used, quality = 1.00: * HA VAL 112 + HD3 PRO 113 OK 100 100 100 100 2.3-2.3 3569=100, 3567/1.8=77...(31) HA THR 115 - HD3 PRO 117 far 0 53 0 - 6.5-6.9 HA THR 115 - HD3 PRO 113 far 0 81 0 - 6.7-7.4 HA HIS 5 - HD3 PRO 117 far 0 68 0 - 8.9-58.3 HA ASN 120 - HD3 PRO 117 far 0 74 0 - 9.1-9.3 Violated in 0 structures by 0.00 A. Peak 3569 from cnoeabs.peaks (3.94, 4.42, 59.99 ppm; 2.89 A): 1 out of 5 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...(31) HA2 GLY 111 - HA VAL 112 far 0 99 0 - 4.3-5.3 HA3 GLY 111 - HA VAL 112 far 0 99 0 - 4.4-4.6 HB2 SER 107 - HA VAL 112 far 0 92 0 - 8.5-11.5 HB3 SER 107 - HA VAL 112 far 0 76 0 - 9.5-12.0 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 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 THR 115 + HD2 PRO 113 OK 60 60 100 100 5.4-6.0 3.2/11558=78, ~10189=69...(12) HA SER 107 - HD2 PRO 113 far 0 90 0 - 9.8-11.4 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 3.9-3.9 3.0=100 HG2 PRO 113 + HD2 PRO 113 OK 78 78 100 100 2.7-2.7 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 1 assignment used, quality = 1.00: * HB3 PRO 113 + HD2 PRO 113 OK 100 100 100 100 4.0-4.0 3.0=100 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 2.7-2.7 2.3=100 HB2 PRO 113 + HD2 PRO 113 OK 78 78 100 100 3.9-3.9 3.0=100 HB2 PRO 58 - HD2 PRO 113 far 0 89 0 - 9.8-11.4 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 2 assignments used, quality = 1.00: * HG3 PRO 113 + HD2 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HB VAL 57 - HD2 PRO 113 far 0 60 0 - 9.6-11.3 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 4 assignments used, quality = 1.00: * HD3 PRO 113 + HD2 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HA2 GLY 111 - HD2 PRO 113 far 0 99 0 - 6.5-7.2 HA3 GLY 111 - HD2 PRO 113 far 0 99 0 - 6.5-6.8 HB2 SER 107 - HD2 PRO 113 far 0 92 0 - 9.9-13.0 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 5.2-5.5 7596=100, 7591/3.6=100...(12) Violated in 0 structures by 0.00 A. Peak 3578 from cnoeabs.peaks (4.37, 3.94, 50.95 ppm; 5.68 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 4.1-4.1 3.6=100 HA SER 107 - HD3 PRO 117 poor 11 61 50 37 5.6-8.5 10209/4.8=15...(6) HA THR 115 - HD3 PRO 117 far 0 37 0 - 6.5-6.9 HA THR 115 - HD3 PRO 113 far 0 60 0 - 6.7-7.4 HA PRO 113 - HD3 PRO 117 far 0 74 0 - 9.7-11.4 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 2 assignments used, quality = 1.00: * HB2 PRO 113 + HD3 PRO 113 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 PRO 113 + HD3 PRO 113 OK 78 78 100 100 2.3-2.3 2.3=100 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 1 assignment used, quality = 1.00: * HB3 PRO 113 + HD3 PRO 113 OK 100 100 100 100 3.9-3.9 3.0=100 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 3 assignments used, quality = 1.00: * HG2 PRO 113 + HD3 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 113 + HD3 PRO 113 OK 78 78 100 100 3.0-3.0 3.0=100 HB2 PRO 58 - HD3 PRO 113 far 0 89 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 3582 from cnoeabs.peaks (2.06, 3.94, 50.95 ppm; 3.87 A): 3 out of 7 assignments used, quality = 1.00: * HG3 PRO 113 + HD3 PRO 113 OK 100 100 100 100 3.0-3.0 2.3=100 HG2 PRO 117 + HD3 PRO 117 OK 72 72 100 100 2.3-2.3 2.3=100 HG3 PRO 117 + HD3 PRO 117 OK 69 69 100 100 2.7-2.7 2.3=100 HB VAL 118 - HD3 PRO 117 far 4 73 5 - 4.4-4.7 HB2 GLU 102 - HD3 PRO 117 far 0 53 0 - 6.5-9.7 HB VAL 57 - HD3 PRO 113 far 0 60 0 - 8.7-10.4 HG3 PRO 113 - HD3 PRO 117 far 0 74 0 - 9.8-12.0 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 1 assignment used, quality = 1.00: * HD2 PRO 113 + HD3 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 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 4 assignments used, quality = 1.00: * HB2 PRO 113 + HA PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 113 + HA PRO 113 OK 72 78 100 92 4.0-4.0 3.8=85, 11495/11563=24...(5) HG LEU 53 - HA PRO 113 far 0 68 0 - 8.7-11.4 HB3 LEU 123 - HA PRO 113 far 0 62 0 - 9.6-12.1 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 2.7-2.7 2.3=100 HG2 GLN 61 - HA PRO 113 far 0 99 0 - 9.1-12.9 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 94 100 100 94 4.0-4.0 3.8=88, 11568/4.9=28...(4) HB2 PRO 113 + HA PRO 113 OK 78 78 100 100 2.3-2.3 2.3=100 HG LEU 53 - HA PRO 113 far 0 100 0 - 8.7-11.4 HB2 PRO 58 - HA PRO 113 far 0 89 0 - 8.9-11.3 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 6 assignments used, quality = 1.00: * HG3 PRO 113 + HA PRO 113 OK 100 100 100 100 3.9-3.9 3.8=100 HB VAL 57 - HA PRO 113 far 0 60 0 - 6.6-9.4 HB2 LEU 62 - HA PRO 113 far 0 100 0 - 8.2-11.1 HB3 GLU 55 - HA PRO 113 far 0 85 0 - 8.3-10.2 HB VAL 118 - HA PRO 113 far 0 100 0 - 9.2-11.7 HG3 PRO 58 - HA PRO 113 far 0 97 0 - 9.4-11.8 Violated in 0 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 5 assignments used, quality = 1.00: * HD3 PRO 113 + HA PRO 113 OK 100 100 100 100 3.6-3.6 3.6=100 HA2 GLY 111 - HA PRO 113 far 0 99 0 - 6.5-6.6 HA3 GLY 111 - HA PRO 113 far 0 99 0 - 6.5-7.6 HD3 PRO 117 - HA PRO 113 far 0 92 0 - 9.7-11.4 HB2 SER 107 - HA PRO 113 far 0 92 0 - 9.8-13.2 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 2.2-2.7 7591=100, 2.9/10150=25...(13) Violated in 0 structures by 0.00 A. Peak 3594 from cnoeabs.peaks (4.37, 1.91, 31.81 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 113 + HB2 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HA THR 115 - HB2 PRO 113 far 0 60 0 - 6.4-7.5 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 1 assignment used, quality = 1.00: * HB3 PRO 113 + HB2 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 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; 3.12 A increased from 2.94 A): 1 out of 3 assignments used, quality = 1.00: * HG3 PRO 113 + HB2 PRO 113 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 GLU 55 - HB2 PRO 113 far 0 85 0 - 8.3-10.8 HB VAL 57 - HB2 PRO 113 far 0 60 0 - 8.6-10.9 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 3.9-3.9 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 3 assignments used, quality = 1.00: * HD3 PRO 113 + HB2 PRO 113 OK 100 100 100 100 3.0-3.0 3.0=100 HA2 GLY 111 - HB2 PRO 113 far 0 99 0 - 7.6-8.3 HA3 GLY 111 - HB2 PRO 113 far 0 99 0 - 7.8-8.4 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 3.1-4.2 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 9 assignments used, quality = 1.00: * HA PRO 113 + HB3 PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 HA THR 115 - HB3 PRO 113 far 0 60 0 - 4.9-6.3 HA GLN 134 - HB VAL 132 far 0 56 0 - 7.5-7.7 HA SER 9 - HB VAL 105 far 0 60 0 - 7.6-45.0 HA CYS 73 - HB VAL 132 far 0 65 0 - 7.7-8.3 HA SER 107 - HB VAL 105 far 0 71 0 - 7.8-8.4 HA SER 9 - HB VAL 132 far 0 50 0 - 8.6-50.5 HA CYS 125 - HB VAL 132 far 0 59 0 - 9.1-9.9 HA PRO 117 - HB3 PRO 113 far 0 100 0 - 9.3-11.4 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 7 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 2.7-2.7 2.3=100 HB2 ARG 135 - HB VAL 132 far 0 70 0 - 5.7-7.3 HB2 ARG 90 - HB VAL 132 far 0 73 0 - 8.0-8.9 HB3 ARG 84 - HB VAL 132 far 0 72 0 - 8.6-10.2 HB2 MET 11 - HB VAL 132 far 0 65 0 - 9.9-46.0 HG LEU 53 - HB3 PRO 113 far 0 68 0 - 10.0-13.8 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 9 assignments used, quality = 1.00: * HG2 PRO 113 + HB3 PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 PRO 113 + HB3 PRO 113 OK 78 78 100 100 1.8-1.8 1.8=100 HB3 LYS 86 - HB VAL 132 far 0 49 0 - 7.8-8.4 HB2 ARG 90 - HB VAL 132 far 0 56 0 - 8.0-8.9 HB3 ARG 84 - HB VAL 132 far 0 39 0 - 8.6-10.2 HB3 ARG 90 - HB VAL 132 far 0 56 0 - 9.2-9.9 HB3 PRO 81 - HB VAL 132 far 0 65 0 - 9.7-10.8 HB2 MET 11 - HB VAL 132 far 0 69 0 - 9.9-46.0 HG LEU 53 - HB3 PRO 113 far 0 100 0 - 10.0-13.8 Violated in 0 structures by 0.00 A. Peak 3606 from cnoeabs.peaks (2.06, 2.27, 31.81 ppm; 3.17 A): 1 out of 11 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 far 0 39 0 - 4.3-5.1 HB2 GLU 102 - HB VAL 105 far 0 62 0 - 6.2-7.4 HG3 GLN 134 - HB VAL 132 far 0 52 0 - 6.3-8.6 HB2 GLU 128 - HB VAL 132 far 0 54 0 - 7.1-8.2 HG3 PRO 81 - HB VAL 132 far 0 69 0 - 7.4-9.7 QE MET 11 - HB VAL 132 far 0 54 0 - 8.6-40.4 HB VAL 57 - HB3 PRO 113 far 0 60 0 - 9.3-12.0 HB3 GLU 91 - HB VAL 132 far 0 39 0 - 9.4-10.3 HB3 GLU 55 - HB3 PRO 113 far 0 85 0 - 9.4-12.0 HB VAL 118 - HB VAL 105 far 0 84 0 - 9.5-10.7 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 4.0-4.0 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): 1 out of 7 assignments used, quality = 1.00: * HD3 PRO 113 + HB3 PRO 113 OK 100 100 100 100 3.9-3.9 3.0=100 HB2 SER 106 - HB VAL 105 far 0 45 0 - 5.7-5.9 HB3 SER 107 - HB VAL 105 far 0 58 0 - 6.6-8.5 HB2 SER 107 - HB VAL 105 far 0 73 0 - 6.7-8.8 HA2 GLY 111 - HB3 PRO 113 far 0 99 0 - 8.7-9.0 HA3 GLY 111 - HB3 PRO 113 far 0 99 0 - 8.8-9.6 HA LEU 100 - HB VAL 105 far 0 56 0 - 9.0-9.5 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 1.9-3.9 3.9=100 H ARG 90 - HB VAL 132 far 0 73 0 - 6.0-6.5 Violated in 0 structures by 0.00 A. Peak 3610 from cnoeabs.peaks (4.37, 1.93, 27.46 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 113 + HG2 PRO 113 OK 100 100 100 100 4.0-4.0 3.8=100 HA THR 115 - HG2 PRO 113 far 0 60 0 - 5.6-7.3 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 1 assignment used, quality = 1.00: * HB3 PRO 113 + HG2 PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 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 1 assignment used, quality = 1.00: * HG3 PRO 113 + HG2 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 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 2.7-2.7 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 3 assignments used, quality = 1.00: * HD3 PRO 113 + HG2 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HA3 GLY 111 - HG2 PRO 113 far 0 99 0 - 8.2-8.5 HA2 GLY 111 - HG2 PRO 113 far 0 99 0 - 8.2-9.0 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 4.5-5.8 7591/3.8=100...(10) Violated in 0 structures by 0.00 A. Peak 3618 from cnoeabs.peaks (4.37, 2.06, 27.46 ppm; 5.65 A): 5 out of 15 assignments used, quality = 1.00: * HA PRO 113 + HG3 PRO 113 OK 100 100 100 100 3.9-3.9 3.8=100 HA PRO 117 + HG2 PRO 117 OK 89 89 100 100 3.9-3.9 3.8=100 HA PRO 117 + HG3 PRO 117 OK 83 83 100 100 4.0-4.0 3.8=100 HA THR 115 + HG3 PRO 113 OK 60 60 100 100 4.0-5.6 3.0/10189=84...(10) HA CYS 125 + HB2 GLN 127 OK 20 54 40 93 6.0-7.3 7839/4.7=65, 4.9/3966=61...(6) HA GLN 134 - HG3 PRO 81 poor 13 67 20 - 5.3-7.0 HA ASP 47 - HB2 GLN 127 poor 13 33 40 - 5.4-7.5 HA SER 107 - HG2 PRO 117 far 0 77 0 - 7.0-10.1 HA THR 115 - HG3 PRO 117 far 0 44 0 - 7.7-8.5 HA SER 107 - HG3 PRO 117 far 0 71 0 - 8.1-11.1 HA THR 115 - HG2 PRO 117 far 0 49 0 - 8.3-8.8 HA PRO 113 - HG3 PRO 58 far 0 60 0 - 9.4-11.8 HA SER 107 - HG3 PRO 58 far 0 49 0 - 9.5-13.0 HA SER 9 - HB2 GLN 127 far 0 46 0 - 9.6-54.3 HA PRO 117 - HG3 PRO 113 far 0 100 0 - 9.8-11.6 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 8 assignments used, quality = 1.00: * HB2 PRO 113 + HG3 PRO 113 OK 100 100 100 100 3.0-3.0 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 0 83 0 - 5.1-9.0 HB3 LEU 123 - HB2 GLN 127 far 0 35 0 - 6.3-7.5 HB3 LEU 49 - HB2 GLN 127 far 0 66 0 - 7.3-8.7 HG LEU 53 - HB2 GLN 127 far 0 39 0 - 7.9-9.9 HB3 ARG 84 - HG3 PRO 81 far 0 85 0 - 8.6-12.3 HB3 LEU 48 - HB2 GLN 127 far 0 55 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 3620 from cnoeabs.peaks (2.27, 2.06, 27.46 ppm; 3.23 A): 2 out of 4 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 far 0 58 0 - 4.8-6.3 HB VAL 132 - HG3 PRO 81 far 0 85 0 - 7.4-9.7 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 8 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 3.0-3.0 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 2.7-2.7 2.3=100 HB3 LYS 86 - HG3 PRO 81 far 0 59 0 - 7.1-10.0 HB3 LEU 49 - HB2 GLN 127 far 0 55 0 - 7.3-8.7 HG LEU 53 - HB2 GLN 127 far 0 67 0 - 7.9-9.9 HB3 ARG 84 - HG3 PRO 81 far 0 48 0 - 8.6-12.3 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 1 assignment used, quality = 1.00: * HD2 PRO 113 + HG3 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 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 20 assignments used, quality = 1.00: * HD3 PRO 113 + HG3 PRO 113 OK 100 100 100 100 3.0-3.0 2.3=100 HD3 PRO 117 + HG2 PRO 117 OK 78 78 100 100 2.3-2.3 2.3=100 HD3 PRO 117 + HG3 PRO 117 OK 72 72 100 100 2.7-2.7 2.3=100 HA2 GLY 111 - HG3 PRO 58 far 3 58 5 - 4.5-6.3 HB2 SER 60 - HG3 PRO 58 far 0 29 0 - 4.5-6.5 HB3 SER 60 - HG3 PRO 58 far 0 29 0 - 4.7-6.6 HA3 GLY 111 - HG3 PRO 58 far 0 57 0 - 5.3-6.2 HB2 SER 106 - HG2 PRO 117 far 0 49 0 - 6.4-8.1 HB2 SER 106 - HG3 PRO 117 far 0 44 0 - 7.5-8.8 HB2 SER 107 - HG3 PRO 58 far 0 50 0 - 7.7-11.5 HB2 SER 107 - HG2 PRO 117 far 0 78 0 - 7.7-12.0 HB3 SER 107 - HG2 PRO 117 far 0 63 0 - 7.8-10.9 HA2 GLY 111 - HG3 PRO 113 far 0 99 0 - 8.4-8.8 HA3 GLY 111 - HG3 PRO 113 far 0 99 0 - 8.4-8.9 HB3 SER 107 - HG3 PRO 58 far 0 38 0 - 8.8-12.0 HB2 SER 107 - HG3 PRO 117 far 0 72 0 - 9.1-13.3 HB2 SER 51 - HB2 GLN 127 far 0 66 0 - 9.2-11.9 HB3 SER 107 - HG3 PRO 117 far 0 57 0 - 9.2-12.3 HA LEU 100 - HG2 PRO 117 far 0 60 0 - 9.5-10.6 HD3 PRO 117 - HG3 PRO 113 far 0 92 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 3625 from cnoeabs.peaks (8.57, 2.06, 27.46 ppm; 5.34 A increased from 5.03 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 114 + HG3 PRO 113 OK 100 100 100 100 3.7-5.0 7595=100, 7591/3.8=95...(10) Violated in 0 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 2.3-2.4 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 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 3629 from cnoeabs.peaks (7.90, 3.88, 45.18 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * H THR 115 + HA2 GLY 114 OK 100 100 100 100 2.5-3.3 3.6=100 HD22 ASN 116 - HA2 GLY 114 far 0 96 0 - 6.6-9.0 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 2.5-2.8 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 - 6.7-8.5 HA2 GLY 2 - HA3 GLY 114 far 0 97 0 - 7.4-72.3 HA3 GLY 2 - HA3 GLY 114 far 0 97 0 - 7.5-71.9 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 3.3-3.6 3.6=100 HD22 ASN 116 - HA3 GLY 114 far 0 96 0 - 7.1-9.9 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 2.5-2.9 3.0=100 HD22 ASN 116 - HA THR 115 far 0 96 0 - 6.9-8.1 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 2 assignments used, quality = 0.98: * HB THR 115 + HA THR 115 OK 98 100 100 98 2.6-2.7 3.0=79, 2.1/3645=49...(12) HA ALA 109 - HA THR 115 far 0 100 0 - 7.9-10.4 Violated in 0 structures by 0.00 A. Peak 3637 from cnoeabs.peaks (1.13, 4.40, 61.68 ppm; 3.36 A increased from 2.99 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 115 + HA THR 115 OK 100 100 100 100 3.1-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 3638 from cnoeabs.peaks (8.45, 4.40, 61.68 ppm; 3.54 A increased from 3.34 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 116 + HA THR 115 OK 100 100 100 100 3.5-3.6 3.6=98, 7608/3.0=65...(15) Violated in 1 structures by 0.00 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 2.2-2.8 7606=100, 7607/2.1=88...(10) HD22 ASN 116 - HB THR 115 far 0 96 0 - 6.1-8.0 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 4 assignments used, quality = 1.00: * HA THR 115 + HB THR 115 OK 100 100 100 100 2.6-2.7 3.0=100 HA VAL 112 - HB THR 115 far 0 81 0 - 4.2-4.9 HA PRO 113 - HB THR 115 far 0 60 0 - 5.1-5.3 HA SER 107 - HB THR 115 far 0 95 0 - 7.3-9.2 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 3.4-3.8 7612=100, 3638/3636=72...(11) Violated in 0 structures by 0.00 A. Peak 3644 from cnoeabs.peaks (7.90, 1.13, 21.32 ppm; 3.40 A): 1 out of 4 assignments used, quality = 1.00: * H THR 115 + QG2 THR 115 OK 100 100 100 100 2.2-3.4 7607=100, 7606/2.1=62...(16) HD22 ASN 116 - QG2 THR 115 poor 19 96 20 - 3.2-4.7 H SER 106 - QG2 THR 115 far 0 99 0 - 7.5-9.7 H GLN 104 - QG2 THR 115 far 0 99 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. Peak 3645 from cnoeabs.peaks (4.40, 1.13, 21.32 ppm; 3.24 A): 1 out of 7 assignments used, quality = 1.00: * HA THR 115 + QG2 THR 115 OK 100 100 100 100 3.1-3.2 3.2=100 HA VAL 112 - QG2 THR 115 far 0 81 0 - 4.1-4.7 HA SER 107 - QG2 THR 115 far 0 95 0 - 4.1-5.9 HA PRO 113 - QG2 THR 115 far 0 60 0 - 4.6-5.6 HA ASN 120 - QG2 THR 115 far 0 73 0 - 8.8-9.1 HA HIS 5 - QG2 THR 115 far 0 97 0 - 9.7-51.3 HA THR 54 - QG2 THR 115 far 0 76 0 - 9.9-11.5 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 4 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 109 - QG2 THR 115 far 0 100 0 - 3.6-5.6 HA ALA 108 - QG2 THR 115 far 0 100 0 - 6.6-8.4 HA ALA 110 - QG2 THR 115 far 0 97 0 - 6.6-8.4 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 1.8-2.2 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 2.9-2.9 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 2.6-2.9 3.0=100 HB3 ASN 59 - HA ASN 116 far 0 73 0 - 8.2-9.5 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 1 assignment used, quality = 1.00: * HB3 ASN 116 + HA ASN 116 OK 100 100 100 100 2.3-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3654 from cnoeabs.peaks (7.92, 4.97, 51.55 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HD22 ASN 116 + HA ASN 116 OK 100 100 100 100 4.2-4.6 4.6=100 H THR 115 + HA ASN 116 OK 96 96 100 100 4.8-5.7 7618/2.9=100...(11) H VAL 112 - HA ASN 116 far 0 87 0 - 8.1-10.1 H SER 106 - HA ASN 116 far 0 87 0 - 8.7-10.3 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 2.2-2.7 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 2.6-2.9 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 1 assignment used, quality = 1.00: * HB3 ASN 116 + HB2 ASN 116 OK 100 100 100 100 1.8-1.8 1.8=100 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 3.4-3.8 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 2.1-2.9 3.5=100 H THR 115 + HB2 ASN 116 OK 86 96 90 100 4.2-5.6 7608/7615=77, 10173=70...(12) H VAL 112 - HB2 ASN 116 far 0 87 0 - 5.5-8.0 H SER 106 - HB2 ASN 116 far 0 87 0 - 7.3-9.2 H GLN 104 - HB2 ASN 116 far 0 83 0 - 8.4-9.9 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 3.1-3.8 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 2.3-2.9 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 0 73 0 - 6.0-7.4 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 3.5-3.9 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 5 assignments used, quality = 1.00: * HD22 ASN 116 + HB3 ASN 116 OK 100 100 100 100 2.2-3.1 3.5=100 H THR 115 + HB3 ASN 116 OK 33 96 35 100 5.0-6.5 7608/7616=81...(8) H VAL 112 - HB3 ASN 116 far 0 87 0 - 6.7-9.3 H SER 106 - HB3 ASN 116 far 0 87 0 - 6.9-8.6 H GLN 104 - HB3 ASN 116 far 0 83 0 - 7.9-9.2 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 2.3-2.3 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 2 assignments used, quality = 1.00: * HD2 PRO 117 + HA ASN 116 OK 100 100 100 100 2.3-2.3 3667=100, 1.8/3670=71...(19) HA2 GLY 114 - HA ASN 116 far 0 76 0 - 5.9-6.6 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 2.1-2.3 3.8=100 HA ASN 116 - HD3 PRO 113 far 0 74 0 - 9.6-10.8 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 7 assignments used, quality = 1.00: * HD3 PRO 117 + HA ASN 116 OK 100 100 100 100 2.1-2.3 3669=98, 1.8/3667=73...(21) HB3 SER 106 - HA ASN 116 far 0 68 0 - 6.1-8.5 HB2 SER 106 - HA ASN 116 far 0 93 0 - 6.4-8.0 HB3 SER 107 - HA ASN 116 far 0 99 0 - 7.3-9.8 HB2 SER 107 - HA ASN 116 far 0 57 0 - 7.4-10.3 HA2 GLY 111 - HA ASN 116 far 0 81 0 - 9.3-12.1 HD3 PRO 113 - HA ASN 116 far 0 92 0 - 9.6-10.8 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 3.6-3.6 3.6=100 HA PRO 81 + HD2 PRO 81 OK 46 46 100 100 4.1-4.1 3.6=100 HA GLN 134 - HD2 PRO 81 far 0 80 0 - 6.6-7.7 HA SER 107 - HD2 PRO 117 far 0 81 0 - 7.1-9.8 HA ASP 78 - HD2 PRO 81 far 0 75 0 - 8.4-8.8 HA CYS 73 - HD2 PRO 81 far 0 73 0 - 8.9-10.0 HA PRO 113 - HD2 PRO 117 far 0 100 0 - 9.7-11.3 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 3.0-3.0 3.0=100 HG2 GLU 102 - HD2 PRO 117 far 0 100 0 - 7.9-10.6 HB VAL 77 - HD2 PRO 81 far 0 53 0 - 8.1-8.7 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 5 assignments used, quality = 1.00: * HB3 PRO 117 + HD2 PRO 117 OK 100 100 100 100 3.9-3.9 3.0=100 HG2 PRO 81 + HD2 PRO 81 OK 85 85 100 100 2.3-2.7 2.3=100 HG3 ARG 135 - HD2 PRO 81 far 0 60 0 - 6.5-7.6 HB2 GLN 134 - HD2 PRO 81 far 0 83 0 - 9.0-10.0 HG2 ARG 90 - HD2 PRO 81 far 0 80 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 3674 from cnoeabs.peaks (2.05, 3.86, 51.04 ppm; 4.37 A): 3 out of 9 assignments used, quality = 1.00: * HG2 PRO 117 + HD2 PRO 117 OK 100 100 100 100 3.0-3.0 2.3=100 HG3 PRO 117 + HD2 PRO 117 OK 100 100 100 100 2.3-2.3 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 far 0 100 0 - 5.9-6.2 HB3 LYS 39 - HD2 PRO 81 far 0 58 0 - 6.0-8.3 HG3 ARG 135 - HD2 PRO 81 far 0 67 0 - 6.5-7.6 HB2 GLU 102 - HD2 PRO 117 far 0 63 0 - 8.2-11.3 HG3 GLN 134 - HD2 PRO 81 far 0 51 0 - 8.6-10.0 HG3 PRO 113 - HD2 PRO 117 far 0 99 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 3675 from cnoeabs.peaks (2.05, 3.86, 51.04 ppm; 4.40 A): 3 out of 9 assignments used, quality = 1.00: * HG3 PRO 117 + HD2 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 117 + HD2 PRO 117 OK 100 100 100 100 3.0-3.0 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 far 0 99 0 - 5.9-6.2 HB3 LYS 39 - HD2 PRO 81 far 0 51 0 - 6.0-8.3 HG3 ARG 135 - HD2 PRO 81 far 0 73 0 - 6.5-7.6 HB2 GLN 134 - HD2 PRO 81 far 0 46 0 - 9.0-10.0 HG3 PRO 113 - HD2 PRO 117 far 0 97 0 - 9.4-11.4 HG2 ARG 90 - HD2 PRO 81 far 0 51 0 - 9.4-10.4 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 5 assignments used, quality = 1.00: * HD3 PRO 117 + HD2 PRO 117 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 SER 106 - HD2 PRO 117 far 0 68 0 - 6.9-8.6 HB2 SER 106 - HD2 PRO 117 far 0 93 0 - 7.2-8.2 HB3 SER 107 - HD2 PRO 117 far 0 99 0 - 8.5-11.4 HB2 SER 107 - HD2 PRO 117 far 0 57 0 - 8.6-12.2 Violated in 0 structures by 0.00 A. Peak 3678 from cnoeabs.peaks (7.75, 3.86, 51.04 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 118 + HD2 PRO 117 OK 100 100 100 100 3.8-3.9 7637=100, 7638/1.8=89...(11) HD22 ASN 121 - HD2 PRO 117 far 0 71 0 - 7.6-9.3 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 4 assignments used, quality = 1.00: * HA PRO 117 + HD3 PRO 117 OK 100 100 100 100 4.1-4.1 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 19 81 70 34 5.6-8.5 10209/4.8=16...(6) HA PRO 113 - HD3 PRO 117 far 0 100 0 - 9.7-11.4 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 2 assignments used, quality = 1.00: * HB2 PRO 117 + HD3 PRO 117 OK 100 100 100 100 3.9-3.9 3.0=100 HG2 GLU 102 - HD3 PRO 117 far 0 100 0 - 6.4-9.0 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 5 assignments used, quality = 1.00: * HB3 PRO 117 + HD3 PRO 117 OK 100 100 100 100 4.0-4.0 3.0=100 HB3 PRO 56 - HD3 PRO 113 poor 18 71 25 - 4.8-6.5 HG3 PRO 56 - HD3 PRO 113 far 0 74 0 - 7.0-8.7 HG2 PRO 56 - HD3 PRO 113 far 0 74 0 - 7.5-9.3 HB2 GLU 55 - HD3 PRO 113 far 0 58 0 - 9.2-11.2 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 6 assignments used, quality = 1.00: * HG2 PRO 117 + HD3 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 117 + HD3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HB VAL 118 + HD3 PRO 117 OK 98 100 100 98 4.4-4.7 3736/7638=46, ~11590=36...(19) HG3 PRO 113 + HD3 PRO 113 OK 72 72 100 100 3.0-3.0 2.3=100 HB2 GLU 102 - HD3 PRO 117 far 0 63 0 - 6.5-9.7 HG3 PRO 113 - HD3 PRO 117 far 0 99 0 - 9.8-12.0 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 5 assignments used, quality = 1.00: * HG3 PRO 117 + HD3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 117 + HD3 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HB VAL 118 + HD3 PRO 117 OK 98 99 100 98 4.4-4.7 3736/7638=46, ~11590=36...(19) HG3 PRO 113 + HD3 PRO 113 OK 69 69 100 100 3.0-3.0 2.3=100 HG3 PRO 113 - HD3 PRO 117 far 0 97 0 - 9.8-12.0 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 3 assignments used, quality = 1.00: * HD2 PRO 117 + HD3 PRO 117 OK 100 100 100 100 1.8-1.8 1.8=100 HA2 GLY 114 - HD3 PRO 113 far 0 49 0 - 7.1-7.4 HA2 GLY 114 - HD3 PRO 117 far 0 76 0 - 7.5-8.2 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): 1 out of 3 assignments used, quality = 1.00: * H VAL 118 + HD3 PRO 117 OK 100 100 100 100 2.6-2.8 7638=100, 7637/1.8=98...(14) HD22 ASN 121 - HD3 PRO 117 far 0 71 0 - 7.2-8.6 H GLU 55 - HD3 PRO 113 far 0 74 0 - 8.9-11.2 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 2 assignments used, quality = 1.00: * HB2 PRO 117 + HA PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 GLU 102 - HA PRO 117 far 0 100 0 - 8.6-10.4 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 2 assignments used, quality = 1.00: * HB3 PRO 117 + HA PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HB3 LEU 53 - HA PRO 117 far 0 92 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 3690 from cnoeabs.peaks (2.05, 4.37, 64.81 ppm; 4.29 A): 2 out of 5 assignments used, quality = 1.00: * HG2 PRO 117 + HA PRO 117 OK 100 100 100 100 3.9-3.9 3.8=100 HG3 PRO 117 + HA PRO 117 OK 100 100 100 100 4.0-4.0 3.8=100 HB VAL 118 - HA PRO 117 far 0 100 0 - 5.6-5.8 HB2 GLU 102 - HA PRO 117 far 0 63 0 - 8.5-11.7 HG3 PRO 113 - HA PRO 117 far 0 99 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 3691 from cnoeabs.peaks (2.05, 4.37, 64.81 ppm; 4.32 A): 2 out of 4 assignments used, quality = 1.00: * HG3 PRO 117 + HA PRO 117 OK 100 100 100 100 4.0-4.0 3.8=100 HG2 PRO 117 + HA PRO 117 OK 100 100 100 100 3.9-3.9 3.8=100 HB VAL 118 - HA PRO 117 far 0 99 0 - 5.6-5.8 HG3 PRO 113 - HA PRO 117 far 0 97 0 - 9.8-11.6 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 3.6-3.6 3.6=100 HA2 GLY 114 - HA PRO 117 far 0 76 0 - 5.8-6.4 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 5 assignments used, quality = 1.00: * HD3 PRO 117 + HA PRO 117 OK 100 100 100 100 4.1-4.1 3.6=100 HB2 SER 106 - HA PRO 117 far 0 93 0 - 9.1-10.6 HB3 SER 106 - HA PRO 117 far 0 68 0 - 9.2-10.9 HB3 SER 107 - HA PRO 117 far 0 99 0 - 9.4-12.1 HB2 SER 107 - HA PRO 117 far 0 57 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 3694 from cnoeabs.peaks (7.75, 4.37, 64.81 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 118 + HA PRO 117 OK 100 100 100 100 3.4-3.5 3.6=100 HD22 ASN 121 - HA PRO 117 far 0 71 0 - 5.9-7.6 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 2.3-2.3 2.3=100 HA SER 107 - HB2 PRO 117 far 0 81 0 - 9.2-11.9 HA SER 9 - HB2 PRO 117 far 0 65 0 - 9.7-52.4 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 4 assignments used, quality = 1.00: * HG2 PRO 117 + HB2 PRO 117 OK 100 100 100 100 3.0-3.0 2.3=100 HG3 PRO 117 + HB2 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HB VAL 118 - HB2 PRO 117 far 0 100 0 - 6.7-6.9 HB2 GLU 102 - HB2 PRO 117 far 0 63 0 - 8.6-11.5 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 3 assignments used, quality = 1.00: * HG3 PRO 117 + HB2 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 117 + HB2 PRO 117 OK 100 100 100 100 3.0-3.0 2.3=100 HB VAL 118 - HB2 PRO 117 far 0 99 0 - 6.7-6.9 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 3.0-3.0 3.0=100 HA2 GLY 114 - HB2 PRO 117 far 0 76 0 - 7.6-8.4 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 3 assignments used, quality = 1.00: * HD3 PRO 117 + HB2 PRO 117 OK 100 100 100 100 3.9-3.9 3.0=100 HB2 SER 106 - HB2 PRO 117 far 0 93 0 - 9.1-10.6 HB3 SER 106 - HB2 PRO 117 far 0 68 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 3702 from cnoeabs.peaks (7.75, 2.36, 32.10 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 118 + HB2 PRO 117 OK 100 100 100 100 4.1-4.4 4.3=100 HD22 ASN 121 - HB2 PRO 117 far 0 71 0 - 5.6-7.4 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 4 assignments used, quality = 1.00: * HA PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HA SER 107 - HB VAL 63 far 0 29 0 - 7.2-10.2 HA SER 9 - HB3 PRO 117 far 0 65 0 - 8.8-50.9 HA SER 107 - HB3 PRO 117 far 0 81 0 - 8.9-11.7 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 3 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 far 0 30 0 - 4.5-6.5 HG2 GLU 102 - HB3 PRO 117 far 0 100 0 - 6.9-9.1 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): 2 out of 8 assignments used, quality = 1.00: * HG2 PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 LEU 62 - HB VAL 63 far 0 43 0 - 5.3-6.0 HB VAL 118 - HB3 PRO 117 far 0 100 0 - 5.8-6.0 HB2 GLU 102 - HB3 PRO 117 far 0 63 0 - 7.3-10.1 HG2 PRO 58 - HB VAL 63 far 0 23 0 - 7.3-7.8 HG3 PRO 58 - HB VAL 63 far 0 33 0 - 8.9-9.4 HB VAL 118 - HB VAL 63 far 0 43 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 3707 from cnoeabs.peaks (2.05, 2.01, 32.10 ppm; 4.35 A): 2 out of 7 assignments used, quality = 1.00: * HG3 PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 LEU 62 - HB VAL 63 far 0 42 0 - 5.3-6.0 HB VAL 118 - HB3 PRO 117 far 0 99 0 - 5.8-6.0 HG2 PRO 58 - HB VAL 63 far 0 26 0 - 7.3-7.8 HG3 PRO 58 - HB VAL 63 far 0 29 0 - 8.9-9.4 HB VAL 118 - HB VAL 63 far 0 42 0 - 9.1-10.1 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 3 assignments used, quality = 1.00: * HD2 PRO 117 + HB3 PRO 117 OK 100 100 100 100 3.9-3.9 3.0=100 HA LEU 62 - HB VAL 63 far 0 37 0 - 5.7-5.9 HA2 GLY 114 - HB3 PRO 117 far 0 76 0 - 8.4-9.0 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 9 assignments used, quality = 1.00: * HD3 PRO 117 + HB3 PRO 117 OK 100 100 100 100 4.0-4.0 3.0=100 HB3 SER 107 - HB VAL 63 far 0 41 0 - 5.0-7.7 HA LEU 100 - HB VAL 63 far 0 40 0 - 6.1-7.1 HA THR 65 - HB VAL 63 far 0 33 0 - 7.3-7.4 HB2 SER 106 - HB3 PRO 117 far 0 93 0 - 8.6-10.4 HB3 SER 106 - HB3 PRO 117 far 0 68 0 - 8.9-9.9 HB2 SER 107 - HB3 PRO 117 far 0 57 0 - 9.5-13.6 HA2 GLY 111 - HB VAL 63 far 0 29 0 - 9.5-11.7 HB3 SER 107 - HB3 PRO 117 far 0 99 0 - 9.6-12.5 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 3 assignments used, quality = 1.00: * H VAL 118 + HB3 PRO 117 OK 100 100 100 100 3.3-3.7 4.3=100 HD22 ASN 121 + HB3 PRO 117 OK 47 71 85 79 3.9-5.7 1.7/7958=29...(9) HE22 GLN 68 - HB VAL 63 far 0 42 0 - 8.6-11.4 Violated in 0 structures by 0.00 A. Peak 3711 from cnoeabs.peaks (4.37, 2.05, 27.30 ppm; 3.98 A): 4 out of 8 assignments used, quality = 1.00: * HA PRO 117 + HG2 PRO 117 OK 100 100 100 100 3.9-3.9 3.8=100 HA PRO 117 + HG3 PRO 117 OK 100 100 100 100 4.0-4.0 3.8=100 HA PRO 113 + HG3 PRO 113 OK 89 89 100 100 3.9-3.9 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 far 0 93 0 - 5.3-7.0 HA SER 107 - HG2 PRO 117 far 0 81 0 - 7.0-10.1 HA SER 107 - HG3 PRO 117 far 0 80 0 - 8.1-11.1 HA PRO 117 - HG3 PRO 113 far 0 90 0 - 9.8-11.6 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 4 assignments used, quality = 1.00: * HB2 PRO 117 + HG2 PRO 117 OK 100 100 100 100 3.0-3.0 2.3=100 HB2 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 GLU 102 - HG2 PRO 117 far 0 100 0 - 5.4-8.1 HG2 GLU 102 - HG3 PRO 117 far 0 100 0 - 6.8-9.8 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 9 assignments used, quality = 1.00: * HB3 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 81 + HG3 PRO 81 OK 97 97 100 100 1.8-1.8 1.8=100 HG3 ARG 135 - HG3 PRO 81 far 0 73 0 - 5.8-8.8 HB3 PRO 56 - HG3 PRO 113 far 0 87 0 - 6.4-8.6 HB2 GLN 134 - HG3 PRO 81 far 0 95 0 - 7.6-9.7 HG3 PRO 56 - HG3 PRO 113 far 0 90 0 - 8.6-10.8 HG2 PRO 56 - HG3 PRO 113 far 0 90 0 - 9.3-11.6 HB VAL 20 - HG3 PRO 81 far 0 99 0 - 10.0-35.9 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 9 assignments used, quality = 1.00: * HD2 PRO 117 + HG2 PRO 117 OK 100 100 100 100 3.0-3.0 2.3=100 HD2 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HD2 PRO 81 + HG3 PRO 81 OK 98 98 100 100 2.3-2.7 2.3=100 HA2 GLY 114 - HG3 PRO 113 far 0 63 0 - 4.8-6.3 HA LYS 86 - HG3 PRO 81 far 0 62 0 - 7.2-9.5 HA2 GLY 114 - HG2 PRO 117 far 0 76 0 - 8.8-9.3 HA2 GLY 114 - HG3 PRO 117 far 0 75 0 - 8.9-9.6 HA GLU 40 - HG3 PRO 81 far 0 86 0 - 9.3-11.8 HD2 PRO 117 - HG3 PRO 113 far 0 90 0 - 9.4-11.4 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 15 assignments used, quality = 1.00: * HD3 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HD3 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HD3 PRO 113 + HG3 PRO 113 OK 78 78 100 100 3.0-3.0 2.3=100 HB2 SER 106 - HG2 PRO 117 far 0 93 0 - 6.4-8.1 HB3 SER 106 - HG2 PRO 117 far 0 68 0 - 6.6-7.6 HB3 SER 106 - HG3 PRO 117 far 0 67 0 - 7.3-8.4 HB2 SER 106 - HG3 PRO 117 far 0 92 0 - 7.5-8.8 HB2 SER 107 - HG2 PRO 117 far 0 57 0 - 7.7-12.0 HB3 SER 107 - HG2 PRO 117 far 0 99 0 - 7.8-10.9 HA2 GLY 111 - HG3 PRO 113 far 0 67 0 - 8.4-8.8 HA3 GLY 111 - HG3 PRO 113 far 0 88 0 - 8.4-8.9 HB2 SER 107 - HG3 PRO 117 far 0 56 0 - 9.1-13.3 HB3 SER 107 - HG3 PRO 117 far 0 98 0 - 9.2-12.3 HA LEU 100 - HG2 PRO 117 far 0 98 0 - 9.5-10.6 HD3 PRO 117 - HG3 PRO 113 far 0 90 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 3718 from cnoeabs.peaks (7.75, 2.05, 27.30 ppm; 4.72 A): 2 out of 5 assignments used, quality = 1.00: * H VAL 118 + HG2 PRO 117 OK 99 100 100 99 2.4-2.9 7638/2.3=73, 7637/2.3=71...(10) H VAL 118 + HG3 PRO 117 OK 99 100 100 99 3.9-4.3 7638/2.3=73, 7637/2.3=71...(9) HD22 ASN 121 - HG2 PRO 117 poor 14 71 20 - 5.0-6.5 HD22 ASN 121 - HG3 PRO 117 far 0 70 0 - 6.0-7.7 H GLU 55 - HG3 PRO 113 far 0 90 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 3719 from cnoeabs.peaks (4.37, 2.05, 27.30 ppm; 3.96 A): 4 out of 11 assignments used, quality = 1.00: * HA PRO 117 + HG3 PRO 117 OK 100 100 100 100 4.0-4.0 3.8=100 HA PRO 117 + HG2 PRO 117 OK 100 100 100 100 3.9-3.9 3.8=100 HA PRO 113 + HG3 PRO 113 OK 83 83 100 100 3.9-3.9 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 far 0 56 0 - 5.3-6.7 HA GLN 134 - HG3 PRO 81 far 0 93 0 - 5.3-7.0 HA SER 107 - HG2 PRO 117 far 0 80 0 - 7.0-10.1 HA SER 107 - HG3 PRO 117 far 0 81 0 - 8.1-11.1 HA SER 9 - HG3 ARG 135 far 0 36 0 - 8.3-55.0 HA PRO 81 - HG3 ARG 135 far 0 31 0 - 9.5-10.7 HA PRO 117 - HG3 PRO 113 far 0 84 0 - 9.8-11.6 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 5 assignments used, quality = 1.00: * HB2 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 117 + HG2 PRO 117 OK 100 100 100 100 3.0-3.0 2.3=100 HG2 GLU 102 - HG2 PRO 117 far 0 100 0 - 5.4-8.1 HG2 GLU 102 - HG3 PRO 117 far 0 100 0 - 6.8-9.8 HG2 GLU 128 - HG3 ARG 135 far 0 57 0 - 7.6-9.9 Violated in 0 structures by 0.00 A. Peak 3721 from cnoeabs.peaks (2.01, 2.05, 27.30 ppm; 4.35 A): 3 out of 13 assignments used, quality = 1.00: * HB3 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HB3 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 81 + HG3 PRO 81 OK 97 97 100 100 1.8-1.8 1.8=100 HG3 ARG 135 - HG3 PRO 81 far 0 73 0 - 5.8-8.8 HG2 PRO 81 - HG3 ARG 135 far 0 61 0 - 5.9-9.0 HB2 GLN 134 - HG3 ARG 135 far 0 58 0 - 6.1-7.6 HB3 PRO 56 - HG3 PRO 113 far 0 81 0 - 6.4-8.6 HB2 GLN 134 - HG3 PRO 81 far 0 96 0 - 7.6-9.7 HG3 PRO 56 - HG3 PRO 113 far 0 84 0 - 8.6-10.8 HB3 MET 11 - HG3 ARG 135 far 0 56 0 - 8.9-48.8 HB ILE 129 - HG3 ARG 135 far 0 64 0 - 9.2-10.5 HG2 PRO 56 - HG3 PRO 113 far 0 84 0 - 9.3-11.6 HB VAL 20 - HG3 PRO 81 far 0 99 0 - 10.0-35.9 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 11 assignments used, quality = 1.00: * HD2 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HD2 PRO 117 + HG2 PRO 117 OK 100 100 100 100 3.0-3.0 2.3=100 HD2 PRO 81 + HG3 PRO 81 OK 99 99 100 100 2.3-2.7 2.3=100 HA2 GLY 114 - HG3 PRO 113 far 0 57 0 - 4.8-6.3 HD2 PRO 81 - HG3 ARG 135 far 0 62 0 - 6.5-7.6 HA LYS 86 - HG3 PRO 81 far 0 63 0 - 7.2-9.5 HA LYS 86 - HG3 ARG 135 far 0 34 0 - 7.4-8.5 HA2 GLY 114 - HG2 PRO 117 far 0 75 0 - 8.8-9.3 HA2 GLY 114 - HG3 PRO 117 far 0 76 0 - 8.9-9.6 HA GLU 40 - HG3 PRO 81 far 0 87 0 - 9.3-11.8 HD2 PRO 117 - HG3 PRO 113 far 0 84 0 - 9.4-11.4 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 15 assignments used, quality = 1.00: * HD3 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HD3 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HD3 PRO 113 + HG3 PRO 113 OK 72 72 100 100 3.0-3.0 2.3=100 HB2 SER 106 - HG2 PRO 117 far 0 92 0 - 6.4-8.1 HB3 SER 106 - HG2 PRO 117 far 0 67 0 - 6.6-7.6 HB3 SER 106 - HG3 PRO 117 far 0 68 0 - 7.3-8.4 HB2 SER 106 - HG3 PRO 117 far 0 93 0 - 7.5-8.8 HB2 SER 107 - HG2 PRO 117 far 0 56 0 - 7.7-12.0 HB3 SER 107 - HG2 PRO 117 far 0 98 0 - 7.8-10.9 HA2 GLY 111 - HG3 PRO 113 far 0 61 0 - 8.4-8.8 HA3 GLY 111 - HG3 PRO 113 far 0 82 0 - 8.4-8.9 HB2 SER 107 - HG3 PRO 117 far 0 57 0 - 9.1-13.3 HB3 SER 107 - HG3 PRO 117 far 0 99 0 - 9.2-12.3 HA LEU 100 - HG2 PRO 117 far 0 97 0 - 9.5-10.6 HD3 PRO 117 - HG3 PRO 113 far 0 84 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 3726 from cnoeabs.peaks (7.75, 2.05, 27.30 ppm; 4.72 A): 2 out of 5 assignments used, quality = 1.00: H VAL 118 + HG2 PRO 117 OK 99 100 100 99 2.4-2.9 7638/2.3=73, 7637/2.3=71...(10) * H VAL 118 + HG3 PRO 117 OK 99 100 100 99 3.9-4.3 7638/2.3=73, 7637/2.3=71...(9) HD22 ASN 121 - HG2 PRO 117 poor 14 70 20 - 5.0-6.5 HD22 ASN 121 - HG3 PRO 117 far 0 71 0 - 6.0-7.7 H GLU 55 - HG3 PRO 113 far 0 84 0 - 9.6-12.2 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 64 71 90 100 3.8-4.6 3.5/3735=55, 3.5/3734=55...(33) H LEU 98 - HA VAL 118 far 0 85 0 - 8.9-9.5 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): 2 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 98 100 100 99 4.1-4.3 3750/3749=31, ~7638=30...(21) HB2 GLU 102 - HA VAL 118 far 0 71 0 - 4.7-7.7 HG3 PRO 117 - HA VAL 118 far 0 99 0 - 5.7-5.9 HB2 LEU 62 - HA VAL 118 far 0 100 0 - 8.1-9.5 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 6 assignments used, quality = 1.00: * QG1 VAL 118 + HA VAL 118 OK 100 100 100 100 2.3-2.5 3.2=100 QD1 LEU 62 - HA VAL 118 far 0 93 0 - 6.1-7.4 QD2 LEU 98 - HA VAL 118 far 0 76 0 - 7.4-9.5 QG2 VAL 63 - HA VAL 118 far 0 97 0 - 7.4-8.2 QD2 LEU 123 - HA VAL 118 far 0 92 0 - 8.1-8.6 QD1 LEU 123 - HA VAL 118 far 0 63 0 - 9.1-9.6 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 2 assignments used, quality = 1.00: * QG2 VAL 118 + HA VAL 118 OK 100 100 100 100 2.3-2.5 3.2=100 QG2 VAL 105 - HA VAL 118 far 0 99 0 - 7.6-8.4 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 1 assignment used, quality = 1.00: * H LEU 119 + HA VAL 118 OK 100 100 100 100 3.5-3.6 3.5=100 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 2.9-3.2 7689=100, 7700/3735=73...(20) Violated in 0 structures by 0.00 A. Peak 3734 from cnoeabs.peaks (2.80, 3.81, 65.23 ppm; 4.64 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + HA VAL 118 OK 100 100 100 100 1.9-3.5 3839=100, 1.8/3735=94...(35) HB3 ASN 120 + HA VAL 118 OK 37 100 40 92 5.2-5.6 4.4/7689=55, 3.8/7661=44...(9) HB2 ASN 120 - HA VAL 118 far 0 100 0 - 6.2-7.0 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 1 assignment used, quality = 1.00: * HB3 ASN 121 + HA VAL 118 OK 100 100 100 100 1.8-3.2 3847=100, 1.8/3734=87...(31) Violated in 0 structures by 0.00 A. Peak 3736 from cnoeabs.peaks (7.75, 2.06, 31.53 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 118 + HB VAL 118 OK 100 100 100 100 2.4-2.7 3748/2.1=78, 4.0=71...(18) HD22 ASN 121 - HB VAL 118 far 0 71 0 - 6.6-7.5 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): 1 out of 7 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 far 0 93 0 - 4.9-6.2 QG2 VAL 63 - HB VAL 118 far 0 97 0 - 5.6-6.4 QG2 VAL 112 - HB VAL 118 far 0 73 0 - 8.5-9.5 QD2 LEU 123 - HB VAL 118 far 0 92 0 - 8.7-9.4 QD2 LEU 98 - HB VAL 118 far 0 76 0 - 9.1-10.5 QD1 LEU 123 - HB VAL 118 far 0 63 0 - 9.9-10.6 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 2 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 - 6.0-7.2 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 2 assignments used, quality = 1.00: * H LEU 119 + HB VAL 118 OK 100 100 100 100 2.4-2.6 7648=100, 3753/2.1=73...(12) HE22 GLN 61 - HB VAL 118 far 0 89 0 - 9.4-16.5 Violated in 0 structures by 0.00 A. Peak 3742 from cnoeabs.peaks (7.75, 0.90, 21.66 ppm; 4.36 A): 1 out of 3 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 far 0 71 0 - 5.2-5.4 H LEU 98 - QG1 VAL 118 far 0 85 0 - 6.5-7.2 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 1 assignment used, quality = 1.00: * HA VAL 118 + QG1 VAL 118 OK 100 100 100 100 2.3-2.5 3.2=100 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 6 assignments used, quality = 1.00: * HB VAL 118 + QG1 VAL 118 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLU 102 - QG1 VAL 118 far 11 71 15 - 2.7-5.3 HB2 LEU 62 - QG1 VAL 118 far 0 100 0 - 4.9-6.2 HG2 PRO 117 - QG1 VAL 118 far 0 100 0 - 5.2-5.4 HG3 PRO 117 - QG1 VAL 118 far 0 99 0 - 6.6-6.8 QE MET 11 - QG1 VAL 118 far 0 90 0 - 9.9-31.6 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 2.0-2.1 2.1=100 QG2 VAL 105 - QG1 VAL 118 far 0 99 0 - 4.7-5.4 QD1 LEU 69 - QG1 VAL 118 far 0 100 0 - 9.7-10.2 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 2 assignments used, quality = 1.00: * H LEU 119 + QG1 VAL 118 OK 100 100 100 100 3.2-3.5 4.1=100 HE22 GLN 61 - QG1 VAL 118 far 0 89 0 - 7.9-13.5 Violated in 0 structures by 0.00 A. Peak 3748 from cnoeabs.peaks (7.75, 1.01, 22.19 ppm; 3.04 A): 1 out of 3 assignments used, quality = 0.99: * H VAL 118 + QG2 VAL 118 OK 99 100 100 99 1.9-2.4 7642=80, 2.8/3749=51...(14) HD22 ASN 121 - QG2 VAL 118 far 0 71 0 - 4.3-5.0 H LEU 98 - QG2 VAL 118 far 0 85 0 - 7.7-8.1 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 2 assignments used, quality = 0.99: * HA VAL 118 + QG2 VAL 118 OK 99 100 100 99 2.3-2.5 3731=88, 2.8/3748=50...(16) HB3 SER 9 - QG2 VAL 118 far 0 97 0 - 9.9-38.7 Violated in 0 structures by 0.00 A. Peak 3750 from cnoeabs.peaks (2.06, 1.01, 22.19 ppm; 2.67 A): 2 out of 5 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 60 100 100 60 2.6-2.9 2.3/11590=24...(10) HB2 GLU 102 - QG2 VAL 118 far 11 71 15 - 1.9-4.7 HG3 PRO 117 - QG2 VAL 118 far 0 99 0 - 4.2-4.5 HB2 LEU 62 - QG2 VAL 118 far 0 100 0 - 7.0-8.2 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 8 assignments used, quality = 1.00: * QG1 VAL 118 + QG2 VAL 118 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 VAL 63 - QG2 VAL 118 far 0 97 0 - 5.4-6.3 QD1 LEU 62 - QG2 VAL 118 far 0 93 0 - 5.8-6.8 QD2 LEU 98 - QG2 VAL 118 far 0 76 0 - 6.2-7.7 QG2 VAL 112 - QG2 VAL 118 far 0 73 0 - 8.1-9.0 QD2 LEU 123 - QG2 VAL 118 far 0 92 0 - 8.5-9.0 QD1 LEU 123 - QG2 VAL 118 far 0 63 0 - 9.4-9.9 QD1 LEU 49 - QG2 VAL 118 far 0 95 0 - 9.7-10.5 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 2 assignments used, quality = 1.00: * H LEU 119 + QG2 VAL 118 OK 100 100 100 100 3.7-4.0 7650=94, 7648/2.1=75...(11) HE22 GLN 61 - QG2 VAL 118 far 0 89 0 - 9.8-15.6 Violated in 0 structures by 0.00 A. Peak 3754 from cnoeabs.peaks (7.54, 4.03, 57.80 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 119 + HA LEU 119 OK 100 100 100 100 2.7-2.7 2.8=100 HE22 GLN 61 - HA LEU 119 far 0 89 0 - 7.0-13.5 H THR 54 - HA LEU 119 far 0 99 0 - 8.1-9.7 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): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 119 + HA LEU 119 OK 100 100 100 100 2.4-2.4 2.9=100 HB2 LEU 53 - HA LEU 119 far 11 73 15 - 4.5-7.1 HG LEU 103 - HA LEU 119 far 0 97 0 - 5.8-6.4 HG LEU 123 - HA LEU 119 far 0 78 0 - 7.5-8.3 HG LEU 49 - HA LEU 119 far 0 65 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 3757 from cnoeabs.peaks (1.87, 4.03, 57.80 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + HA LEU 119 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 LEU 123 - HA LEU 119 far 0 99 0 - 5.0-6.2 Violated in 0 structures by 0.00 A. Peak 3758 from cnoeabs.peaks (1.62, 4.03, 57.80 ppm; 4.79 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 119 + HA LEU 119 OK 100 100 100 100 2.7-2.9 3.7=100 HG LEU 122 + HA LEU 119 OK 72 89 85 96 3.0-5.8 3.0/3764=71, 4.6/3762=45...(13) HG LEU 62 + HA LEU 119 OK 23 68 35 98 4.8-6.2 2.1/10954=81...(10) HB2 LEU 123 - HA LEU 119 poor 13 63 20 - 5.2-6.3 HB2 LEU 122 - HA LEU 119 far 5 95 5 - 5.2-5.9 Violated in 0 structures by 0.00 A. Peak 3759 from cnoeabs.peaks (0.80, 4.03, 57.80 ppm; 3.29 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 119 + HA LEU 119 OK 100 100 100 100 2.9-3.3 3790=100, 2.1/3798=50...(13) QD1 LEU 103 + HA LEU 119 OK 57 85 95 71 3.0-4.0 3397=25, 7655/2.8=20...(11) QD1 LEU 122 - HA LEU 119 far 15 99 15 - 3.7-6.2 QD2 LEU 122 - HA LEU 119 far 14 93 15 - 2.4-5.7 QD1 LEU 53 - HA LEU 119 far 5 99 5 - 3.8-5.1 QD2 LEU 49 - HA LEU 119 far 0 100 0 - 5.6-6.0 QD1 LEU 96 - HA LEU 119 far 0 60 0 - 6.9-8.0 QG1 VAL 63 - HA LEU 119 far 0 87 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 3760 from cnoeabs.peaks (0.94, 4.03, 57.80 ppm; 3.65 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 119 + HA LEU 119 OK 100 100 100 100 3.8-3.9 2.1/3790=80, 3798=80...(10) QD2 LEU 53 + HA LEU 119 OK 62 71 100 88 2.3-3.2 11845=59, 3771/2.9=14...(15) QD1 LEU 62 + HA LEU 119 OK 51 63 100 82 2.1-3.2 10954=26, 3795/3790=23...(11) QD1 LEU 123 - HA LEU 119 far 0 93 0 - 6.7-7.6 QG2 VAL 126 - HA LEU 119 far 0 78 0 - 6.8-7.4 QD1 LEU 49 - HA LEU 119 far 0 60 0 - 8.1-8.4 QG1 VAL 57 - HA LEU 119 far 0 99 0 - 8.3-9.5 QG1 VAL 126 - HA LEU 119 far 0 92 0 - 8.4-8.9 QG1 VAL 112 - HA LEU 119 far 0 68 0 - 8.4-9.7 QG2 VAL 112 - HA LEU 119 far 0 87 0 - 8.8-9.7 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 - 7.0-8.3 H ALA 109 - HA LEU 119 far 0 99 0 - 9.2-10.8 H ALA 108 - HA LEU 119 far 0 100 0 - 9.6-11.2 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 3.9-4.4 3.5/3764=72, 7675/3.6=67...(17) H VAL 63 - HA LEU 119 far 0 87 0 - 6.9-7.7 H GLN 127 - HA LEU 119 far 0 93 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 3763 from cnoeabs.peaks (1.61, 4.03, 57.80 ppm; 4.62 A): 2 out of 3 assignments used, quality = 0.99: HG LEU 119 + HA LEU 119 OK 95 95 100 100 2.7-2.9 3.7=100 HG LEU 122 + HA LEU 119 OK 80 100 85 95 3.0-5.8 3.0/3764=67, 4.6/3762=42...(14) ! HB2 LEU 122 - HA LEU 119 far 5 100 5 - 5.2-5.9 Violated in 0 structures by 0.00 A. Peak 3764 from cnoeabs.peaks (1.79, 4.03, 57.80 ppm; 4.47 A increased from 4.21 A): 1 out of 5 assignments used, quality = 0.86: * HB3 LEU 122 + HA LEU 119 OK 86 100 100 86 3.6-5.0 3.5/3762=48, 3.0/3763=28...(12) HB3 LEU 123 - HA LEU 119 far 2 39 5 - 5.0-6.2 HB3 LEU 103 - HA LEU 119 far 0 100 0 - 5.7-6.8 HG LEU 100 - HA LEU 119 far 0 89 0 - 6.1-7.7 HB2 LEU 100 - HA LEU 119 far 0 63 0 - 8.2-9.7 Violated in 1 structures by 0.03 A. Peak 3765 from cnoeabs.peaks (7.54, 1.54, 40.68 ppm; 4.82 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 119 + HB2 LEU 119 OK 100 100 100 100 3.6-3.6 3.9=100 H THR 54 - HB2 LEU 119 far 0 99 0 - 6.8-8.0 HE22 GLN 61 - HB2 LEU 119 far 0 89 0 - 7.0-13.0 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 7 assignments used, quality = 1.00: * HA LEU 119 + HB2 LEU 119 OK 100 100 100 100 2.4-2.4 2.9=100 HA LEU 103 - HB2 LEU 119 far 0 98 0 - 7.7-8.9 HB3 SER 99 - HB2 LEU 119 far 0 83 0 - 7.9-9.3 HA SER 50 - HB2 LEU 119 far 0 60 0 - 7.9-8.6 HA LEU 122 - HB2 LEU 119 far 0 73 0 - 8.1-8.7 HB3 SER 124 - HB2 LEU 119 far 0 100 0 - 8.8-9.9 HA SER 60 - HB2 LEU 119 far 0 90 0 - 9.2-10.6 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): 1 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 far 0 99 0 - 4.9-6.1 Violated in 0 structures by 0.00 A. Peak 3769 from cnoeabs.peaks (1.62, 1.54, 40.68 ppm; 4.35 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 119 + HB2 LEU 119 OK 100 100 100 100 2.8-2.9 2.9=100 HG LEU 62 + HB2 LEU 119 OK 24 68 35 99 4.4-5.4 ~10954=38, ~11001=37...(26) HG LEU 122 - HB2 LEU 119 far 4 89 5 - 4.8-8.0 HB2 LEU 123 - HB2 LEU 119 far 0 63 0 - 5.5-6.5 HB2 LEU 122 - HB2 LEU 119 far 0 95 0 - 7.0-7.8 Violated in 0 structures by 0.00 A. Peak 3770 from cnoeabs.peaks (0.80, 1.54, 40.68 ppm; 4.06 A): 3 out of 8 assignments used, quality = 1.00: * QD2 LEU 119 + HB2 LEU 119 OK 100 100 100 100 1.9-2.1 3.1=100 QD1 LEU 103 + HB2 LEU 119 OK 40 85 65 73 4.0-5.2 3759/2.9=29...(9) QD1 LEU 53 + HB2 LEU 119 OK 27 99 30 90 3.6-5.4 ~11845=40, ~11725=23...(18) QD1 LEU 122 - HB2 LEU 119 far 5 99 5 - 4.6-8.1 QD2 LEU 122 - HB2 LEU 119 far 5 93 5 - 4.4-7.6 QD2 LEU 49 - HB2 LEU 119 far 0 100 0 - 6.6-7.2 QD1 LEU 96 - HB2 LEU 119 far 0 60 0 - 8.5-9.7 QG1 VAL 63 - HB2 LEU 119 far 0 87 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 3771 from cnoeabs.peaks (0.94, 1.54, 40.68 ppm; 3.87 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 119 + HB2 LEU 119 OK 100 100 100 100 2.8-3.0 3.0=100 QD1 LEU 62 + HB2 LEU 119 OK 59 63 100 94 2.1-2.6 3.2/10951=28, ~10992=26...(19) QD2 LEU 53 + HB2 LEU 119 OK 58 71 100 82 1.9-2.8 11845/2.9=38...(12) QD1 LEU 123 - HB2 LEU 119 far 0 93 0 - 6.5-7.5 QG1 VAL 112 - HB2 LEU 119 far 0 68 0 - 7.1-8.3 QG1 VAL 57 - HB2 LEU 119 far 0 99 0 - 7.3-8.3 QG2 VAL 112 - HB2 LEU 119 far 0 87 0 - 7.9-8.5 QG2 VAL 126 - HB2 LEU 119 far 0 78 0 - 8.1-8.8 QD1 LEU 49 - HB2 LEU 119 far 0 60 0 - 8.8-9.3 QG1 VAL 126 - HB2 LEU 119 far 0 92 0 - 9.1-9.7 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 3 assignments used, quality = 1.00: * H ASN 120 + HB2 LEU 119 OK 100 100 100 100 3.6-3.9 4.6=100 H LEU 103 - HB2 LEU 119 far 0 100 0 - 9.0-10.4 H ALA 109 - HB2 LEU 119 far 0 99 0 - 9.1-10.7 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 3 assignments used, quality = 1.00: * H LEU 119 + HB3 LEU 119 OK 100 100 100 100 2.6-2.8 3.9=100 H THR 54 - HB3 LEU 119 far 0 99 0 - 7.9-9.1 HE22 GLN 61 - HB3 LEU 119 far 0 89 0 - 8.7-14.8 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 6 assignments used, quality = 1.00: * HA LEU 119 + HB3 LEU 119 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 SER 99 - HB3 LEU 119 far 0 83 0 - 7.6-9.0 HA LEU 103 - HB3 LEU 119 far 0 98 0 - 7.6-8.8 HB3 SER 124 - HB3 LEU 119 far 0 100 0 - 8.4-9.4 HA LEU 122 - HB3 LEU 119 far 0 73 0 - 8.5-8.9 HA SER 50 - HB3 LEU 119 far 0 60 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 3775 from cnoeabs.peaks (1.54, 1.87, 40.68 ppm; 3.58 A): 1 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 far 0 73 0 - 4.8-7.2 HG LEU 123 - HB3 LEU 119 far 0 78 0 - 7.5-8.4 HG LEU 103 - HB3 LEU 119 far 0 97 0 - 7.6-8.4 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): 1 out of 5 assignments used, quality = 1.00: * HG LEU 119 + HB3 LEU 119 OK 100 100 100 100 2.7-2.9 2.9=100 HG LEU 122 - HB3 LEU 119 far 0 89 0 - 5.5-8.7 HB2 LEU 123 - HB3 LEU 119 far 0 63 0 - 5.6-6.6 HG LEU 62 - HB3 LEU 119 far 0 68 0 - 6.1-7.0 HB2 LEU 122 - HB3 LEU 119 far 0 95 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 3778 from cnoeabs.peaks (0.80, 1.87, 40.68 ppm; 3.88 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 119 + HB3 LEU 119 OK 100 100 100 100 2.9-3.0 3.1=100 QD1 LEU 103 - HB3 LEU 119 far 4 85 5 - 4.4-5.3 QD1 LEU 53 - HB3 LEU 119 far 0 99 0 - 5.0-6.3 QD2 LEU 122 - HB3 LEU 119 far 0 93 0 - 5.1-7.9 QD1 LEU 122 - HB3 LEU 119 far 0 99 0 - 5.6-8.4 QD2 LEU 49 - HB3 LEU 119 far 0 100 0 - 7.8-8.2 QD1 LEU 96 - HB3 LEU 119 far 0 60 0 - 9.2-10.3 QG1 VAL 63 - HB3 LEU 119 far 0 87 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 3779 from cnoeabs.peaks (0.94, 1.87, 40.68 ppm; 4.02 A): 3 out of 8 assignments used, quality = 1.00: * QD1 LEU 119 + HB3 LEU 119 OK 100 100 100 100 1.9-2.1 3.0=100 QD1 LEU 62 + HB3 LEU 119 OK 60 63 100 96 3.4-3.9 ~10992=29, 3787/2.9=28...(21) QD2 LEU 53 + HB3 LEU 119 OK 58 71 100 82 2.8-4.1 11845/2.9=40...(12) QG1 VAL 112 - HB3 LEU 119 far 0 68 0 - 6.7-7.9 QD1 LEU 123 - HB3 LEU 119 far 0 93 0 - 7.1-8.0 QG2 VAL 112 - HB3 LEU 119 far 0 87 0 - 7.9-8.5 QG1 VAL 57 - HB3 LEU 119 far 0 99 0 - 8.6-9.5 QG2 VAL 126 - HB3 LEU 119 far 0 78 0 - 8.8-9.5 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 3 assignments used, quality = 1.00: * H ASN 120 + HB3 LEU 119 OK 100 100 100 100 2.3-2.7 4.6=100 H LEU 103 - HB3 LEU 119 far 0 100 0 - 9.2-10.5 H ALA 109 - HB3 LEU 119 far 0 99 0 - 9.3-10.8 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 9 assignments used, quality = 1.00: * H LEU 119 + HG LEU 119 OK 100 100 100 100 1.8-2.2 7654=100, 3797/2.1=68...(23) HE22 GLN 27 - HG3 ARG 23 far 5 97 5 - 4.2-17.7 HE22 GLN 27 - HG LEU 22 far 0 84 0 - 4.8-21.1 H LEU 119 - HG LEU 122 far 0 70 0 - 5.0-7.5 H GLN 82 - HG2 ARG 84 far 0 56 0 - 5.0-8.2 H GLN 82 - HG3 ARG 84 far 0 56 0 - 6.2-8.5 HE22 GLN 61 - HG LEU 119 far 0 89 0 - 7.6-14.1 HE22 GLN 61 - HG LEU 122 far 0 55 0 - 8.6-14.6 H THR 54 - HG LEU 119 far 0 99 0 - 9.5-10.8 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 23 assignments used, quality = 1.00: * HA LEU 119 + HG LEU 119 OK 100 100 100 100 2.7-2.9 3.7=100 HA LEU 119 + HG LEU 122 OK 55 70 85 94 3.0-5.8 3764/3.0=61, 3762/4.6=38...(12) HB3 SER 99 + HG LEU 122 OK 50 51 100 100 2.5-4.7 11702/2.1=56...(24) HA LEU 122 + HG LEU 122 OK 44 44 100 100 3.2-3.7 4.3=100 HA LEU 96 + HG LEU 122 OK 40 57 75 94 4.3-5.4 3901/2.1=38, 3868/3.0=27...(25) HA LEU 103 - HG LEU 119 far 0 98 0 - 5.1-6.3 HA LEU 103 - HG LEU 122 far 0 65 0 - 6.2-7.9 HB3 SER 99 - HG LEU 119 far 0 83 0 - 6.9-8.4 HB3 SER 124 - HG LEU 122 far 0 69 0 - 7.0-9.8 HA LEU 96 - HG LEU 70 far 0 78 0 - 7.1-7.5 HA ARG 135 - HG2 ARG 84 far 0 61 0 - 7.7-12.3 HA SER 60 - HG LEU 119 far 0 90 0 - 7.8-9.3 HA SER 50 - HG LEU 122 far 0 35 0 - 7.9-9.2 HA ARG 135 - HG3 ARG 84 far 0 61 0 - 8.1-11.0 HA LYS 95 - HG LEU 122 far 0 68 0 - 8.3-9.5 HD3 PRO 81 - HG2 ARG 84 far 0 57 0 - 8.7-12.4 HA LEU 122 - HG LEU 119 far 0 73 0 - 8.7-9.1 HA LYS 95 - HG LEU 70 far 0 90 0 - 8.7-9.5 HA LEU 122 - HG LEU 70 far 0 62 0 - 8.7-9.4 HA GLU 102 - HG LEU 122 far 0 42 0 - 8.8-10.5 HA SER 60 - HG LEU 122 far 0 57 0 - 8.9-10.9 HB3 SER 99 - HG LEU 70 far 0 71 0 - 9.1-10.4 HA GLU 102 - HG LEU 119 far 0 71 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 3783 from cnoeabs.peaks (1.54, 1.62, 27.00 ppm; 4.35 A): 2 out of 13 assignments used, quality = 1.00: * HB2 LEU 119 + HG LEU 119 OK 100 100 100 100 2.8-2.9 2.9=100 HB2 LEU 22 + HG LEU 22 OK 87 87 100 100 2.4-2.9 3.0=100 HB2 LEU 22 - HG3 ARG 23 far 5 99 5 - 4.7-7.9 HG LEU 103 - HG LEU 119 far 5 97 5 - 4.9-6.0 HB2 LEU 119 - HG LEU 122 far 3 70 5 - 4.8-8.0 HG LEU 49 - HG LEU 122 far 0 38 0 - 5.5-7.5 HG LEU 103 - HG LEU 122 far 0 63 0 - 5.7-7.6 HG LEU 123 - HG LEU 122 far 0 47 0 - 6.2-9.5 HB2 LEU 53 - HG LEU 122 far 0 44 0 - 6.4-10.2 HB2 LEU 53 - HG LEU 119 far 0 73 0 - 6.5-8.9 HG13 ILE 37 - HG3 ARG 23 far 0 88 0 - 8.8-23.1 HG LEU 49 - HG LEU 70 far 0 55 0 - 9.5-10.5 HG LEU 123 - HG LEU 119 far 0 78 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 3784 from cnoeabs.peaks (1.87, 1.62, 27.00 ppm; 4.10 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 119 + HG LEU 119 OK 100 100 100 100 2.7-2.9 2.9=100 HB3 LEU 123 - HG LEU 122 far 3 67 5 - 4.0-7.4 HB3 LEU 119 - HG LEU 122 far 0 70 0 - 5.5-8.7 HB3 LEU 123 - HG LEU 119 far 0 99 0 - 7.3-8.5 HB3 LEU 48 - HG LEU 122 far 0 47 0 - 9.8-12.1 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): 5 out of 36 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 103 + HG LEU 119 OK 50 85 100 59 2.0-3.1 11548/10258=15...(10) QD2 LEU 49 - HG LEU 122 far 10 69 15 - 2.9-4.5 QD1 LEU 96 - HG LEU 122 far 5 35 15 - 2.6-4.7 QD1 LEU 53 - HG LEU 122 far 0 67 0 - 4.2-5.8 QD2 LEU 122 - HG LEU 119 far 0 93 0 - 4.3-7.5 QD1 LEU 103 - HG LEU 122 far 0 52 0 - 4.3-6.1 QD1 LEU 96 - HG LEU 70 far 0 50 0 - 4.3-4.9 QG2 ILE 80 - HG2 ARG 84 far 0 56 0 - 5.0-7.2 QD1 ILE 32 - HG3 ARG 23 far 0 71 0 - 5.3-15.0 QD2 LEU 119 - HG LEU 122 far 0 70 0 - 5.4-7.1 QD1 LEU 122 - HG LEU 70 far 0 90 0 - 5.5-7.8 QD1 LEU 122 - HG LEU 119 far 0 99 0 - 5.6-8.1 QG1 VAL 63 - HG LEU 122 far 0 54 0 - 5.6-7.7 QD1 LEU 53 - HG LEU 119 far 0 99 0 - 5.7-7.3 QD2 LEU 122 - HG LEU 70 far 0 82 0 - 5.9-7.9 QG2 ILE 80 - HG3 ARG 84 far 0 56 0 - 6.1-7.5 QD1 ILE 32 - HG LEU 22 far 0 57 0 - 6.3-15.8 QD2 LEU 49 - HG LEU 70 far 0 91 0 - 6.6-7.4 QG1 VAL 63 - HG LEU 70 far 0 75 0 - 6.7-7.2 QD1 ILE 37 - HG3 ARG 23 far 0 76 0 - 6.9-19.5 QD1 LEU 70 - HG LEU 122 far 0 54 0 - 7.4-9.6 QD2 LEU 49 - HG LEU 119 far 0 100 0 - 7.6-8.0 QG1 VAL 63 - HG LEU 119 far 0 87 0 - 7.7-8.7 QG2 ILE 129 - HG LEU 70 far 0 69 0 - 8.0-8.8 QD1 LEU 70 - HG3 ARG 23 far 0 85 0 - 8.3-24.0 QD1 LEU 96 - HG LEU 119 far 0 60 0 - 8.9-10.0 HG13 ILE 80 - HG2 ARG 84 far 0 41 0 - 9.0-11.9 QG2 ILE 80 - HG3 ARG 23 far 0 93 0 - 9.1-23.9 QG2 ILE 129 - HG LEU 122 far 0 49 0 - 9.2-10.8 QG2 ILE 129 - HG2 ARG 84 far 0 45 0 - 9.6-12.9 QD1 LEU 53 - HG LEU 70 far 0 89 0 - 9.8-11.6 QD1 ILE 37 - HG LEU 70 far 0 66 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 3787 from cnoeabs.peaks (0.94, 1.62, 27.00 ppm; 3.36 A): 2 out of 23 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 56 63 100 89 2.8-3.6 3795/2.1=27, ~10992=26...(18) QD2 LEU 53 - HG LEU 122 poor 10 42 25 - 3.4-6.6 QG2 VAL 126 - HG LEU 122 far 5 47 10 - 3.8-5.2 QD2 LEU 53 - HG LEU 119 far 0 71 0 - 4.2-5.0 QD1 LEU 62 - HG LEU 122 far 0 36 0 - 4.3-6.4 QD1 LEU 49 - HG LEU 122 far 0 35 0 - 5.2-6.9 QD1 LEU 123 - HG LEU 122 far 0 60 0 - 5.4-7.9 QG1 VAL 126 - HG LEU 122 far 0 58 0 - 6.1-7.4 QD1 LEU 119 - HG LEU 122 far 0 70 0 - 6.2-8.5 QG1 VAL 112 - HG LEU 119 far 0 68 0 - 6.3-7.7 QG2 VAL 126 - HG LEU 70 far 0 66 0 - 6.4-7.2 QG2 VAL 112 - HG LEU 119 far 0 87 0 - 6.7-7.6 QD1 LEU 49 - HG LEU 70 far 0 50 0 - 6.9-8.1 QG1 VAL 126 - HG LEU 70 far 0 80 0 - 8.3-9.0 QG1 VAL 57 - HG LEU 119 far 0 99 0 - 8.4-9.5 QD1 LEU 123 - HG LEU 119 far 0 93 0 - 8.6-9.6 QG2 VAL 126 - HG LEU 119 far 0 78 0 - 9.1-9.6 QG2 ILE 37 - HG3 ARG 23 far 0 98 0 - 9.4-21.5 QG1 VAL 105 - HG LEU 122 far 0 54 0 - 9.5-11.0 QG1 VAL 105 - HG LEU 70 far 0 75 0 - 9.5-10.5 QD1 LEU 48 - HG LEU 122 far 0 54 0 - 9.6-11.7 QG1 VAL 105 - HG LEU 119 far 0 87 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 3788 from cnoeabs.peaks (8.08, 1.62, 27.00 ppm; 6.27 A): 6 out of 13 assignments used, quality = 1.00: * H ASN 120 + HG LEU 119 OK 100 100 100 100 4.2-4.4 7665/2.9=99, 3804/2.1=99...(17) H ASN 120 + HG LEU 122 OK 56 70 85 94 4.8-8.0 7675/4.6=77, 3.6/3763=38...(6) H VAL 20 + HG3 ARG 23 OK 39 91 45 96 4.7-9.3 ~11960=45, ~11943=45...(12) HD22 ASN 85 + HG3 ARG 84 OK 35 63 60 93 4.6-7.9 9807/3.0=38, ~9799=31...(18) HD22 ASN 85 + HG2 ARG 84 OK 29 63 50 93 4.3-8.3 9807/3.0=38, ~9799=31...(20) H LEU 103 + HG LEU 122 OK 27 68 90 45 5.8-7.5 ~10068=18, 7476/2.1=12...(6) H THR 25 - HG3 ARG 23 poor 19 66 45 65 4.9-7.7 6228/4.6=64 H THR 25 - HG LEU 22 poor 19 53 35 - 5.8-9.7 H ALA 109 - HG LEU 119 far 5 99 5 - 6.8-8.4 H LEU 103 - HG LEU 119 far 0 100 0 - 6.9-8.3 H VAL 20 - HG LEU 22 far 0 77 0 - 7.5-9.2 H ALA 108 - HG LEU 119 far 0 100 0 - 7.8-9.2 H LEU 103 - HG LEU 70 far 0 91 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 3789 from cnoeabs.peaks (7.54, 0.80, 23.00 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 119 + QD2 LEU 119 OK 100 100 100 100 3.5-3.8 7654/2.1=90, 4.6=90...(15) HE22 GLN 61 - QD2 LEU 119 far 4 89 5 - 4.8-10.1 H THR 54 - QD2 LEU 119 far 0 99 0 - 6.6-7.6 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 9 assignments used, quality = 0.99: * HA LEU 119 + QD2 LEU 119 OK 99 100 100 99 2.9-3.3 3.9=80, 3798/2.1=60...(14) HA LEU 103 - QD2 LEU 119 far 0 98 0 - 5.4-6.7 HA SER 60 - QD2 LEU 119 far 0 90 0 - 5.9-7.1 HB3 SER 99 - QD2 LEU 119 far 0 83 0 - 7.2-8.6 HA LEU 122 - QD2 LEU 119 far 0 73 0 - 8.1-8.8 HA SER 50 - QD2 LEU 119 far 0 60 0 - 8.2-8.6 HA GLU 102 - QD2 LEU 119 far 0 71 0 - 9.3-10.7 HB3 SER 124 - QD2 LEU 119 far 0 100 0 - 9.4-10.3 HA LEU 96 - QD2 LEU 119 far 0 90 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 3791 from cnoeabs.peaks (1.54, 0.80, 23.00 ppm; 3.77 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 119 + QD2 LEU 119 OK 100 100 100 100 1.9-2.1 3.1=100 HG LEU 103 - QD2 LEU 119 far 5 97 5 - 4.3-5.4 HB2 LEU 53 - QD2 LEU 119 far 0 73 0 - 4.8-6.5 HG LEU 49 - QD2 LEU 119 far 0 65 0 - 7.7-8.5 HG LEU 123 - QD2 LEU 119 far 0 78 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 3792 from cnoeabs.peaks (1.87, 0.80, 23.00 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + QD2 LEU 119 OK 100 100 100 100 2.9-3.0 3.1=100 HB3 LEU 123 - QD2 LEU 119 far 0 99 0 - 6.0-6.9 Violated in 0 structures by 0.00 A. Peak 3793 from cnoeabs.peaks (1.62, 0.80, 23.00 ppm; 3.38 A): 2 out of 5 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 64 68 100 93 3.0-3.7 10992=35, 2.1/3795=27...(24) HG LEU 122 - QD2 LEU 119 far 0 89 0 - 5.4-7.1 HB2 LEU 123 - QD2 LEU 119 far 0 63 0 - 6.5-7.5 HB2 LEU 122 - QD2 LEU 119 far 0 95 0 - 6.7-7.9 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 12 assignments used, quality = 1.00: * QD1 LEU 119 + QD2 LEU 119 OK 100 100 100 100 1.9-2.0 2.1=100 QD1 LEU 62 + QD2 LEU 119 OK 47 63 100 75 1.6-1.7 2.1/10992=30...(16) QD2 LEU 53 + QD2 LEU 119 OK 28 71 70 56 2.7-3.5 11845/3790=18...(8) QG1 VAL 112 - QD2 LEU 119 far 0 68 0 - 4.3-5.8 QG2 VAL 112 - QD2 LEU 119 far 0 87 0 - 4.8-5.5 QG1 VAL 57 - QD2 LEU 119 far 0 99 0 - 5.5-6.3 QD1 LEU 123 - QD2 LEU 119 far 0 93 0 - 7.0-7.8 QG2 VAL 126 - QD2 LEU 119 far 0 78 0 - 7.7-8.2 QD1 LEU 49 - QD2 LEU 119 far 0 60 0 - 8.0-8.5 QG1 VAL 126 - QD2 LEU 119 far 0 92 0 - 8.6-9.1 QG1 VAL 105 - QD2 LEU 119 far 0 87 0 - 9.0-10.1 QD1 LEU 48 - QD2 LEU 119 far 0 87 0 - 9.9-10.6 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 4.8-5.0 3.6/3790=94, 7665/3.1=90...(14) H ALA 109 - QD2 LEU 119 poor 11 99 25 46 5.5-6.8 2.9/11541=22...(5) H ALA 108 - QD2 LEU 119 far 0 100 0 - 6.8-7.8 H LEU 103 - QD2 LEU 119 far 0 100 0 - 7.0-8.4 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 3 assignments used, quality = 1.00: * H LEU 119 + QD1 LEU 119 OK 100 100 100 100 2.2-2.9 7654/2.1=82, 4.6=71...(14) HE22 GLN 61 - QD1 LEU 119 far 0 89 0 - 7.3-12.6 H THR 54 - QD1 LEU 119 far 0 99 0 - 8.0-8.9 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 8 assignments used, quality = 1.00: * HA LEU 119 + QD1 LEU 119 OK 100 100 100 100 3.8-3.9 3790/2.1=88, 4.1=87...(10) HA LEU 103 - QD1 LEU 119 far 0 98 0 - 5.6-6.8 HB3 SER 99 - QD1 LEU 119 far 0 83 0 - 7.2-8.4 HA SER 60 - QD1 LEU 119 far 0 90 0 - 7.9-9.1 HA LEU 122 - QD1 LEU 119 far 0 73 0 - 8.8-9.2 HB3 SER 124 - QD1 LEU 119 far 0 100 0 - 9.0-9.8 HA GLU 102 - QD1 LEU 119 far 0 71 0 - 9.1-10.5 HA SER 50 - QD1 LEU 119 far 0 60 0 - 9.4-10.0 Violated in 2 structures by 0.00 A. Peak 3799 from cnoeabs.peaks (1.54, 0.94, 25.07 ppm; 3.34 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 119 + QD1 LEU 119 OK 100 100 100 100 2.8-3.0 3.0=100 HG LEU 103 - QD1 LEU 119 far 0 97 0 - 5.7-6.8 HB2 LEU 53 - QD1 LEU 119 far 0 73 0 - 5.9-7.7 HG LEU 123 - QD1 LEU 119 far 0 78 0 - 8.3-9.0 HG LEU 49 - QD1 LEU 119 far 0 65 0 - 10.0-10.4 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 1.9-2.1 3.0=100 HB3 LEU 123 - QD1 LEU 119 far 0 99 0 - 6.7-7.9 Violated in 0 structures by 0.00 A. Peak 3801 from cnoeabs.peaks (1.62, 0.94, 25.07 ppm; 3.06 A): 1 out of 5 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 far 0 68 0 - 5.5-6.3 HG LEU 122 - QD1 LEU 119 far 0 89 0 - 6.2-8.5 HB2 LEU 123 - QD1 LEU 119 far 0 63 0 - 6.8-7.6 HB2 LEU 122 - QD1 LEU 119 far 0 95 0 - 8.2-8.7 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 8 assignments used, quality = 1.00: * QD2 LEU 119 + QD1 LEU 119 OK 100 100 100 100 1.9-2.0 2.1=100 QD1 LEU 103 - QD1 LEU 119 far 4 85 5 - 3.1-4.1 QD2 LEU 122 - QD1 LEU 119 far 0 93 0 - 5.2-7.8 QD1 LEU 53 - QD1 LEU 119 far 0 99 0 - 5.4-6.8 QD1 LEU 122 - QD1 LEU 119 far 0 99 0 - 6.2-8.3 QD2 LEU 49 - QD1 LEU 119 far 0 100 0 - 7.8-8.1 QG1 VAL 63 - QD1 LEU 119 far 0 87 0 - 8.0-8.8 QD1 LEU 96 - QD1 LEU 119 far 0 60 0 - 8.9-9.9 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 3.5-3.9 7665/3.0=80, 7664/3.0=75...(14) H ALA 109 - QD1 LEU 119 far 0 99 0 - 5.9-7.1 H ALA 108 - QD1 LEU 119 far 0 100 0 - 7.2-8.3 H LEU 103 - QD1 LEU 119 far 0 100 0 - 7.5-8.8 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 2.2-2.7 3.0=100 HB3 ASN 120 + HA ASN 120 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 ASN 121 - HA ASN 120 far 0 100 0 - 5.5-6.4 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 2.2-2.7 3.0=100 * HB3 ASN 120 + HA ASN 120 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 ASN 121 - HA ASN 120 far 0 100 0 - 5.5-6.4 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 3.7-4.2 7678=95, 7677/2.9=56...(7) 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 3.5-3.5 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 2.1-2.6 3918=100, 1.8/3927=83...(15) HG LEU 119 - HA ASN 120 far 0 63 0 - 6.4-6.5 HG LEU 62 - HA ASN 120 far 0 100 0 - 8.2-9.3 Violated in 0 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 4.1-4.3 7665/2.9=75...(15) * HB3 LEU 123 + HA ASN 120 OK 98 98 100 100 3.0-4.2 1.8/3813=88, 3927=87...(16) 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 4 assignments used, quality = 1.00: H ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.1-2.2 3.8=100 * H ASN 120 + HB2 ASN 120 OK 100 100 100 100 3.4-3.5 3.8=100 H ASN 120 + HB2 ASN 121 OK 44 100 55 80 4.1-5.8 7675/7724=36...(9) H LEU 103 - HB2 ASN 121 far 0 99 0 - 7.1-8.2 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 10 assignments used, quality = 1.00: * HA ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.2-2.7 3.0=100 HA ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.8-3.0 3.0=100 HA ASN 120 - HB2 ASN 121 far 0 100 0 - 5.5-6.4 HA HIS 5 - HB2 ASN 120 far 0 93 0 - 7.0-60.6 HA HIS 5 - HB3 ASN 120 far 0 93 0 - 7.0-60.1 HA HIS 5 - HB2 ASN 121 far 0 92 0 - 7.5-55.6 HA THR 115 - HB3 ASN 120 far 0 73 0 - 8.0-9.4 HA THR 54 - HB2 ASN 120 far 0 100 0 - 8.4-10.3 HA THR 54 - HB3 ASN 120 far 0 100 0 - 8.6-10.5 HA THR 115 - HB2 ASN 120 far 0 73 0 - 9.5-11.0 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): 2 out of 3 assignments used, quality = 1.00: HD21 ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.4-3.6 3.5=100 * HD21 ASN 120 + HB2 ASN 120 OK 100 100 100 100 3.5-4.1 3.5=100 HD21 ASN 120 - HB2 ASN 121 far 5 100 5 - 3.4-9.5 Violated in 0 structures by 0.00 A. Peak 3820 from cnoeabs.peaks (6.77, 2.80, 37.77 ppm; 4.73 A): 2 out of 3 assignments used, quality = 1.00: HD22 ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.2-3.5 3.5=100 * HD22 ASN 120 + HB2 ASN 120 OK 100 100 100 100 3.4-4.1 3.5=100 HD22 ASN 120 - HB2 ASN 121 far 5 100 5 - 4.1-8.1 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 2.1-3.4 3.8=100 H ASN 121 + HB3 ASN 120 OK 98 100 100 98 3.0-3.4 4.4=73, 2.9/11626=27...(17) * H ASN 121 + HB2 ASN 120 OK 96 100 100 96 3.5-4.3 4.4=73, 2.9/3831=30...(11) 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 4 assignments used, quality = 1.00: * H ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.1-2.2 3.8=100 H ASN 120 + HB2 ASN 120 OK 100 100 100 100 3.4-3.5 3.8=100 H ASN 120 + HB2 ASN 121 OK 44 100 55 80 4.1-5.8 7675/7724=36...(9) H LEU 103 - HB2 ASN 121 far 0 99 0 - 7.1-8.2 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 10 assignments used, quality = 1.00: HA ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.2-2.7 3.0=100 * HA ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.8-3.0 3.0=100 HA ASN 120 - HB2 ASN 121 far 0 100 0 - 5.5-6.4 HA HIS 5 - HB2 ASN 120 far 0 93 0 - 7.0-60.6 HA HIS 5 - HB3 ASN 120 far 0 93 0 - 7.0-60.1 HA HIS 5 - HB2 ASN 121 far 0 92 0 - 7.5-55.6 HA THR 115 - HB3 ASN 120 far 0 73 0 - 8.0-9.4 HA THR 54 - HB2 ASN 120 far 0 100 0 - 8.4-10.3 HA THR 54 - HB3 ASN 120 far 0 100 0 - 8.6-10.5 HA THR 115 - HB2 ASN 120 far 0 73 0 - 9.5-11.0 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): 2 out of 3 assignments used, quality = 1.00: * HD21 ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.4-3.6 3.5=100 HD21 ASN 120 + HB2 ASN 120 OK 100 100 100 100 3.5-4.1 3.5=100 HD21 ASN 120 - HB2 ASN 121 far 5 100 5 - 3.4-9.5 Violated in 0 structures by 0.00 A. Peak 3827 from cnoeabs.peaks (6.77, 2.80, 37.77 ppm; 4.73 A): 2 out of 3 assignments used, quality = 1.00: * HD22 ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.2-3.5 3.5=100 HD22 ASN 120 + HB2 ASN 120 OK 100 100 100 100 3.4-4.1 3.5=100 HD22 ASN 120 - HB2 ASN 121 far 5 100 5 - 4.1-8.1 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 2.1-3.4 3.8=100 * H ASN 121 + HB3 ASN 120 OK 98 100 100 98 3.0-3.4 4.4=73, 2.9/11626=27...(17) H ASN 121 + HB2 ASN 120 OK 96 100 100 96 3.5-4.3 4.4=73, 2.9/3831=30...(11) 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 2.8-2.8 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): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + HA ASN 121 OK 100 100 100 100 2.7-2.9 3.0=100 HB2 ASN 120 - HA ASN 121 far 5 100 5 - 4.1-5.4 HB3 ASN 120 - HA ASN 121 far 0 100 0 - 4.6-5.2 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 1 assignment used, quality = 1.00: * HB3 ASN 121 + HA ASN 121 OK 100 100 100 100 2.8-3.0 3.0=100 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 3.6-4.1 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): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 121 + HA ASN 121 OK 100 100 100 100 4.0-4.3 4.5=100 H VAL 118 - HA ASN 121 far 0 71 0 - 6.7-7.1 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 3.6-3.6 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 3.8-4.2 7758=100, 7769/3968=60...(9) HD22 ASN 116 - HA ASN 121 far 0 60 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 3837 from cnoeabs.peaks (4.00, 4.49, 56.15 ppm; 4.53 A): 1 out of 4 assignments used, quality = 1.00: * HB2 SER 124 + HA ASN 121 OK 100 100 100 100 3.7-4.6 3968=100, 1.8/3974=85...(4) HB3 SER 99 - HA ASN 121 poor 20 97 35 58 4.7-5.8 11475/10324=30...(6) HA LYS 95 - HA ASN 121 far 0 73 0 - 7.7-8.6 HA SER 50 - HA ASN 121 far 0 100 0 - 9.2-10.6 Violated in 1 structures by 0.00 A. Peak 3838 from cnoeabs.peaks (4.03, 4.49, 56.15 ppm; 4.27 A): 2 out of 7 assignments used, quality = 1.00: * HB3 SER 124 + HA ASN 121 OK 100 100 100 100 3.9-4.4 3974=100, 1.8/3968=77...(6) HA LEU 122 + HA ASN 121 OK 78 83 100 94 4.7-4.8 4.9=65, 3.0/10323=34...(9) HB3 SER 99 - HA ASN 121 poor 15 73 20 - 4.7-5.8 HA LEU 96 - HA ASN 121 far 0 96 0 - 5.9-6.5 HA LEU 119 - HA ASN 121 far 0 100 0 - 6.6-6.9 HA LYS 95 - HA ASN 121 far 0 97 0 - 7.7-8.6 HA ALA 92 - HA ASN 121 far 0 87 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 3839 from cnoeabs.peaks (3.81, 2.80, 37.82 ppm; 5.56 A): 2 out of 5 assignments used, quality = 1.00: * HA VAL 118 + HB2 ASN 121 OK 100 100 100 100 1.9-3.5 3734=100, 3735/1.8=100...(35) HA VAL 118 + HB3 ASN 120 OK 97 100 100 98 5.2-5.6 7689/4.4=74, 7661/3.8=63...(9) HA VAL 118 - HB2 ASN 120 far 0 100 0 - 6.2-7.0 HB3 SER 9 - HB2 ASN 121 far 0 97 0 - 9.4-46.3 HB2 SER 50 - HB2 ASN 120 far 0 77 0 - 9.5-11.7 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 2.1-3.4 3.8=100 H ASN 121 + HB3 ASN 120 OK 100 100 100 100 3.0-3.4 4.4=100 H ASN 121 + HB2 ASN 120 OK 100 100 100 100 3.5-4.3 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 2.7-2.9 3.0=100 HA ASN 121 + HB2 ASN 120 OK 99 100 100 99 4.1-5.4 3974/10355=55...(12) HA ASN 121 + HB3 ASN 120 OK 95 100 100 95 4.6-5.2 3831/1.8=46, 2.9/7699=30...(11) HB THR 54 - HB2 ASN 120 far 0 72 0 - 8.9-11.9 HB THR 54 - HB3 ASN 120 far 0 72 0 - 9.6-12.3 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 3 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 - HB3 ASN 120 far 0 100 0 - 4.8-6.6 HB3 ASN 121 - HB2 ASN 120 far 0 100 0 - 5.2-7.3 Violated in 0 structures by 0.00 A. Peak 3844 from cnoeabs.peaks (6.88, 2.80, 37.82 ppm; 4.93 A): 1 out of 3 assignments used, quality = 1.00: * HD21 ASN 121 + HB2 ASN 121 OK 100 100 100 100 2.1-3.2 3.5=100 HD21 ASN 121 - HB3 ASN 120 far 15 100 15 - 5.2-6.3 HD21 ASN 121 - HB2 ASN 120 far 0 100 0 - 5.8-7.3 Violated in 0 structures by 0.00 A. Peak 3845 from cnoeabs.peaks (7.78, 2.80, 37.82 ppm; 4.55 A): 2 out of 8 assignments used, quality = 1.00: * HD22 ASN 121 + HB2 ASN 121 OK 100 100 100 100 3.4-3.9 3.5=100 H VAL 118 + HB2 ASN 121 OK 39 71 55 100 4.4-6.3 2.8/3734=78...(20) H VAL 118 - HB3 ASN 120 far 0 70 0 - 5.2-5.6 HD22 ASN 121 - HB3 ASN 120 far 0 100 0 - 6.0-7.4 HD22 ASN 121 - HB2 ASN 120 far 0 100 0 - 6.3-8.2 H VAL 118 - HB2 ASN 120 far 0 70 0 - 6.8-7.3 HD22 ASN 59 - HB3 ASN 120 far 0 91 0 - 9.1-14.5 HD22 ASN 59 - HB2 ASN 121 far 0 92 0 - 9.5-13.4 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 5 assignments used, quality = 1.00: * H LEU 122 + HB2 ASN 121 OK 100 100 100 100 2.3-3.3 4.3=100 H LEU 122 + HB2 ASN 120 OK 100 100 100 100 5.6-6.4 7675/3.8=92, 7721/3.0=75...(7) H LEU 122 + HB3 ASN 120 OK 100 100 100 100 5.6-6.0 7675/3.8=92, 7721/3.0=75...(9) H GLN 127 - HB2 ASN 121 far 0 93 0 - 8.6-10.3 H GLN 127 - HB2 ASN 120 far 0 92 0 - 9.1-9.5 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 2 assignments used, quality = 1.00: * HA VAL 118 + HB3 ASN 121 OK 100 100 100 100 1.8-3.2 3735=100, 3839/1.8=100...(31) HB3 SER 9 - HB3 ASN 121 far 0 97 0 - 9.5-47.5 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 2.1-3.2 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 2.8-3.0 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 HB3 ASN 120 - HB3 ASN 121 far 0 100 0 - 4.8-6.6 HB2 ASN 120 - HB3 ASN 121 far 0 100 0 - 5.2-7.3 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 2.1-3.3 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 3.4-4.0 3.5=100 H VAL 118 + HB3 ASN 121 OK 32 71 45 100 4.2-6.0 2.8/3735=70, ~3734=46...(17) HD22 ASN 59 - HB3 ASN 121 far 0 92 0 - 9.5-13.4 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 2 assignments used, quality = 1.00: * H LEU 122 + HB3 ASN 121 OK 100 100 100 100 2.2-3.1 4.3=100 H GLN 127 - HB3 ASN 121 far 0 93 0 - 8.7-9.8 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 6 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 62 89 75 92 4.5-5.1 7728=23, 5.1/3901=19...(29) H GLN 127 - HA LEU 122 far 0 93 0 - 5.6-6.3 H GLN 127 - HA LEU 96 far 0 79 0 - 7.1-7.8 H VAL 63 - HA LEU 122 far 0 87 0 - 9.6-11.0 H LEU 122 - HA GLU 102 far 0 99 0 - 9.9-11.1 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): 4 out of 9 assignments used, quality = 1.00: * HB2 LEU 122 + HA LEU 122 OK 100 100 100 100 2.3-2.6 3.0=100 HG LEU 122 + HA LEU 122 OK 100 100 100 100 3.2-3.7 4.3=100 HB2 LEU 122 + HA LEU 96 OK 89 89 100 99 3.2-5.0 3.1/3901=35, 3868=32...(45) HG LEU 122 + HA LEU 96 OK 73 88 85 97 4.3-5.4 2.1/3901=41, 2.1/3893=29...(24) HG LEU 70 - HA LEU 96 far 0 89 0 - 7.1-7.5 HG LEU 119 - HA LEU 122 far 0 95 0 - 8.7-9.1 HG LEU 70 - HA LEU 122 far 0 100 0 - 8.7-9.4 HG LEU 122 - HA GLU 102 far 0 98 0 - 8.8-10.5 HG LEU 119 - HA GLU 102 far 0 92 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 3858 from cnoeabs.peaks (1.79, 4.05, 58.49 ppm; 3.96 A): 1 out of 18 assignments used, quality = 1.00: * HB3 LEU 122 + HA LEU 122 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 100 - HA LEU 96 far 11 74 15 - 4.3-5.4 HB3 LEU 122 - HA LEU 96 far 4 89 5 - 3.3-5.7 HG LEU 100 - HA LEU 122 far 0 89 0 - 4.6-5.7 HB2 LEU 100 - HA LEU 96 far 0 50 0 - 5.4-6.1 HB3 LEU 103 - HA GLU 102 far 0 99 0 - 5.6-5.8 HB3 LEU 123 - HA LEU 122 far 0 39 0 - 5.9-6.2 HB3 LEU 98 - HA LEU 96 far 0 85 0 - 6.4-7.5 HB2 LEU 100 - HA LEU 122 far 0 63 0 - 6.5-7.3 HB3 LEU 98 - HA GLU 102 far 0 96 0 - 7.0-8.4 HB2 LEU 100 - HA GLU 102 far 0 60 0 - 7.4-7.6 HB3 LEU 98 - HA LEU 122 far 0 98 0 - 7.4-9.8 HB2 LEU 48 - HA GLU 44 far 0 52 0 - 7.5-8.0 HB3 LEU 103 - HA LEU 122 far 0 100 0 - 7.8-8.9 HB3 LEU 123 - HA LEU 96 far 0 31 0 - 7.9-9.0 HB3 LEU 103 - HA LEU 96 far 0 89 0 - 8.2-9.1 HG LEU 100 - HA GLU 102 far 0 86 0 - 8.6-8.8 HB3 LEU 122 - HA GLU 102 far 0 99 0 - 9.2-12.1 Violated in 0 structures by 0.00 A. Peak 3859 from cnoeabs.peaks (1.60, 4.05, 58.49 ppm; 4.69 A): 4 out of 12 assignments used, quality = 1.00: * HG LEU 122 + HA LEU 122 OK 100 100 100 100 3.2-3.7 4.3=100 HB2 LEU 122 + HA LEU 122 OK 100 100 100 100 2.3-2.6 3.0=100 HB2 LEU 122 + HA LEU 96 OK 88 88 100 99 3.2-5.0 3.1/3901=35, 3868=32...(45) HG LEU 122 + HA LEU 96 OK 74 89 85 97 4.3-5.4 2.1/3901=41, 3885=29...(24) HB2 LEU 103 - HA GLU 102 far 0 63 0 - 5.7-5.9 HB2 LEU 103 - HA LEU 122 far 0 65 0 - 7.1-8.1 HG LEU 70 - HA LEU 96 far 0 87 0 - 7.1-7.5 HB2 LEU 103 - HA LEU 96 far 0 52 0 - 7.8-8.6 HG LEU 119 - HA LEU 122 far 0 89 0 - 8.7-9.1 HG LEU 70 - HA LEU 122 far 0 99 0 - 8.7-9.4 HG LEU 122 - HA GLU 102 far 0 99 0 - 8.8-10.5 HG LEU 119 - HA GLU 102 far 0 86 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 3860 from cnoeabs.peaks (0.81, 4.05, 58.49 ppm; 3.55 A): 4 out of 26 assignments used, quality = 1.00: * QD1 LEU 122 + HA LEU 122 OK 98 100 100 98 1.8-3.8 3.8=79, 2.1/3901=40...(21) QD2 LEU 122 + HA LEU 122 OK 80 83 100 97 1.8-4.0 3.9=73, 2.1/3893=30...(23) QD1 LEU 122 + HA LEU 96 OK 54 89 65 94 1.8-4.8 2.1/3901=28, 3893=26...(28) QD2 LEU 122 + HA LEU 96 OK 51 68 85 89 1.8-4.8 3901=30, 2.1/3893=19...(26) QD2 LEU 49 - HA LEU 122 poor 18 97 35 53 3.8-5.3 11681/10397=20...(9) QD1 LEU 53 - HA LEU 122 far 0 95 0 - 4.3-7.1 QD2 LEU 49 - HA LEU 96 far 0 84 0 - 5.3-5.9 QD1 LEU 103 - HA GLU 102 far 0 68 0 - 6.1-6.4 QD1 LEU 70 - HA LEU 96 far 0 82 0 - 6.2-6.5 QD1 LEU 53 - HA LEU 96 far 0 80 0 - 6.4-8.4 QD2 LEU 122 - HA GLU 102 far 0 80 0 - 6.7-7.9 QG1 VAL 63 - HA GLU 102 far 0 70 0 - 6.8-7.7 QD1 LEU 103 - HA LEU 122 far 0 71 0 - 7.1-8.0 QG2 ILE 129 - HA LEU 96 far 0 77 0 - 7.3-7.8 QD1 LEU 122 - HA GLU 102 far 0 99 0 - 7.3-10.0 QG1 VAL 133 - HA GLU 44 far 0 28 0 - 7.5-8.4 QD1 LEU 70 - HA LEU 122 far 0 96 0 - 7.8-8.5 QG2 ILE 129 - HA LEU 122 far 0 92 0 - 7.8-8.4 QD1 LEU 103 - HA LEU 96 far 0 57 0 - 8.0-9.0 QD2 LEU 119 - HA LEU 122 far 0 99 0 - 8.1-8.8 QG1 VAL 63 - HA LEU 122 far 0 73 0 - 8.4-9.2 QG1 VAL 63 - HA LEU 96 far 0 59 0 - 8.6-9.3 QG2 ILE 129 - HA GLU 44 far 0 50 0 - 9.2-10.3 QD2 LEU 119 - HA GLU 102 far 0 98 0 - 9.3-10.7 QD2 LEU 49 - HA GLU 44 far 0 55 0 - 9.4-10.0 QD2 LEU 119 - HA LEU 96 far 0 87 0 - 9.8-10.4 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 23 assignments used, quality = 1.00: * QD2 LEU 122 + HA LEU 122 OK 91 100 95 96 1.8-4.0 3.9=65, 2.1/3893=28...(24) QD1 LEU 122 + HA LEU 122 OK 79 83 100 96 1.8-3.8 3.8=71, 2.1/3901=38...(21) QD1 LEU 96 + HA LEU 122 OK 78 92 100 85 2.8-3.5 3100=34, 9987/3994=15...(22) QD1 LEU 96 + HA LEU 96 OK 74 77 100 96 2.8-3.5 4.0=65, ~3083=21...(25) QD2 LEU 122 + HA LEU 96 OK 69 89 85 91 1.8-4.8 3901=36, 10337/3.0=23...(26) QD1 LEU 122 + HA LEU 96 OK 33 68 55 87 1.8-4.8 2.1/3901=27, 3893=17...(27) QD2 LEU 49 - HA LEU 122 far 5 97 5 - 3.8-5.3 QD1 LEU 53 - HA LEU 122 far 0 99 0 - 4.3-7.1 QD2 LEU 49 - HA LEU 96 far 0 84 0 - 5.3-5.9 QD1 LEU 103 - HA GLU 102 far 0 98 0 - 6.1-6.4 QD1 LEU 53 - HA LEU 96 far 0 87 0 - 6.4-8.4 QD2 LEU 122 - HA GLU 102 far 0 99 0 - 6.7-7.9 QG1 VAL 63 - HA GLU 102 far 0 98 0 - 6.8-7.7 QD1 LEU 103 - HA LEU 122 far 0 100 0 - 7.1-8.0 QD1 LEU 122 - HA GLU 102 far 0 80 0 - 7.3-10.0 QD1 LEU 103 - HA LEU 96 far 0 88 0 - 8.0-9.0 QD2 LEU 119 - HA LEU 122 far 0 93 0 - 8.1-8.8 QG1 VAL 63 - HA LEU 122 far 0 100 0 - 8.4-9.2 QG1 VAL 63 - HA LEU 96 far 0 88 0 - 8.6-9.3 QD2 LEU 119 - HA GLU 102 far 0 90 0 - 9.3-10.7 QD2 LEU 49 - HA GLU 44 far 0 55 0 - 9.4-10.0 QD1 LEU 96 - HA GLU 102 far 0 89 0 - 9.7-10.4 QD2 LEU 119 - HA LEU 96 far 0 79 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 3862 from cnoeabs.peaks (8.26, 4.05, 58.49 ppm; 4.24 A): 2 out of 7 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 96 OK 77 77 100 100 2.8-2.9 2.9=100 H LEU 96 - HA LEU 122 far 5 92 5 - 4.7-5.5 H SER 107 - HA GLU 102 far 3 68 5 - 4.8-6.4 H LEU 123 - HA LEU 96 far 0 89 0 - 5.4-6.5 H LEU 43 - HA GLU 44 far 0 31 0 - 5.5-5.5 H GLU 40 - HA GLU 44 far 0 42 0 - 7.7-8.3 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 6 assignments used, quality = 1.00: * H CYS 125 + HA LEU 122 OK 100 100 100 100 3.3-3.7 10366/3.9=56, 7775=55...(18) H LEU 48 + HA GLU 44 OK 59 60 100 99 4.6-4.9 6575=82, 6582/1477=62...(6) H CYS 125 + HA LEU 96 OK 28 89 35 89 4.4-5.4 11603/11689=42...(11) H SER 130 - HA GLU 44 far 0 57 0 - 8.9-10.1 H SER 130 - HA LEU 122 far 0 99 0 - 9.2-10.4 H SER 130 - HA LEU 96 far 0 86 0 - 9.8-10.6 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 4 assignments used, quality = 1.00: * HB2 CYS 125 + HA LEU 122 OK 99 100 100 99 2.2-3.6 3988=51, 1.8/3994=48...(21) HB2 CYS 125 + HA LEU 96 OK 89 89 100 100 2.4-3.4 11655/3.0=65...(25) HB2 ASP 47 + HA GLU 44 OK 43 43 100 100 3.3-4.2 1.8/1477=94, 1471=75...(6) HB2 CYS 73 - HA LEU 96 far 0 82 0 - 8.5-9.2 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 7 assignments used, quality = 1.00: * HB3 CYS 125 + HA LEU 122 OK 99 100 100 99 2.2-3.8 3994=51, 1.8/3988=48...(19) HB3 CYS 125 + HA LEU 96 OK 89 89 100 100 2.6-3.5 9987/4.0=60...(23) HB3 HIS 4 - HA GLU 102 far 0 63 0 - 6.1-53.0 HB3 HIS 8 - HA GLU 102 far 0 98 0 - 8.2-46.1 HB2 HIS 5 - HA LEU 122 far 0 65 0 - 8.9-55.0 HB2 HIS 5 - HA LEU 96 far 0 52 0 - 9.3-54.1 HB2 HIS 5 - HA GLU 102 far 0 63 0 - 9.5-52.5 Violated in 0 structures by 0.00 A. Peak 3866 from cnoeabs.peaks (4.03, 1.61, 41.93 ppm; 4.73 A): 3 out of 9 assignments used, quality = 0.98: HA LEU 96 + HB2 LEU 122 OK 89 90 100 99 3.2-5.0 3901/3.1=35...(45) HA LEU 122 + HB2 LEU 122 OK 73 73 100 100 2.3-2.6 3.0=100 HB3 SER 99 + HB2 LEU 122 OK 25 83 30 100 5.1-6.4 11702/3.1=52...(25) ! HA LEU 119 - HB2 LEU 122 far 5 100 5 - 5.2-5.9 HA SER 50 - HB2 LEU 122 far 0 60 0 - 6.6-8.6 HB3 SER 124 - HB2 LEU 122 far 0 100 0 - 7.6-8.4 HA LYS 95 - HB2 LEU 122 far 0 99 0 - 7.8-9.8 HA LEU 103 - HB2 LEU 122 far 0 98 0 - 8.9-10.1 HA ALA 92 - HB2 LEU 122 far 0 78 0 - 9.2-10.8 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 3 assignments used, quality = 1.00: * H LEU 122 + HB2 LEU 122 OK 100 100 100 100 3.5-3.6 3.5=100 H GLN 127 - HB2 LEU 122 far 5 93 5 - 5.8-6.6 H VAL 63 - HB2 LEU 122 far 0 87 0 - 7.5-8.9 Violated in 0 structures by 0.00 A. Peak 3868 from cnoeabs.peaks (4.05, 1.61, 41.93 ppm; 5.41 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 122 + HB2 LEU 122 OK 100 100 100 100 2.3-2.6 3.0=100 HA LEU 96 + HB2 LEU 122 OK 98 99 100 100 3.2-5.0 3901/3.1=41, 3855/3.5=31...(45) HA LEU 119 + HB2 LEU 122 OK 67 73 100 91 5.2-5.9 3764/1.8=60, 3762/3.5=43...(7) HB THR 65 - HB2 LEU 122 far 5 90 5 - 5.7-7.8 HB3 SER 124 - HB2 LEU 122 far 0 83 0 - 7.6-8.4 HA ALA 92 - HB2 LEU 122 far 0 100 0 - 9.2-10.8 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): 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 3.2-4.8 ~9487=29, 3887/3.0=25...(30) HB3 LEU 123 - HB2 LEU 122 far 0 39 0 - 5.1-5.9 HB2 LEU 100 - HB2 LEU 122 far 0 63 0 - 5.3-7.2 HB3 LYS 19 - HB3 LEU 22 far 0 57 0 - 5.5-8.1 HB3 LYS 31 - HB3 LEU 22 far 0 57 0 - 5.5-21.9 HB3 ARG 23 - HB3 LEU 22 far 0 37 0 - 6.2-7.6 HB3 LYS 24 - HB3 LEU 22 far 0 53 0 - 6.4-9.5 HB3 LEU 103 - HB2 LEU 122 far 0 100 0 - 6.9-8.2 HB3 LEU 98 - HB2 LEU 122 far 0 98 0 - 8.4-11.6 HB2 LEU 48 - HB2 LEU 122 far 0 95 0 - 8.8-10.5 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): 4 out of 10 assignments used, quality = 1.00: * QD1 LEU 122 + HB2 LEU 122 OK 100 100 100 100 1.9-2.8 3.1=100 QD2 LEU 122 + HB2 LEU 122 OK 83 83 100 100 2.4-3.2 3.1=100 QD1 LEU 53 + HB2 LEU 122 OK 56 95 95 62 2.9-5.9 3907/4.3=20, ~11749=14...(9) QD2 LEU 49 + HB2 LEU 122 OK 51 97 100 52 2.0-3.6 11681/11677=21...(10) QD1 LEU 103 - HB2 LEU 122 far 0 71 0 - 6.4-7.2 QD2 LEU 119 - HB2 LEU 122 far 0 99 0 - 6.7-7.9 QG1 VAL 63 - HB2 LEU 122 far 0 73 0 - 7.1-7.8 QD1 LEU 70 - HB2 LEU 122 far 0 96 0 - 7.3-8.7 QG2 ILE 129 - HB2 LEU 122 far 0 92 0 - 8.0-8.8 QG2 ILE 80 - HB3 LEU 22 far 0 70 0 - 9.4-24.3 Violated in 0 structures by 0.00 A. Peak 3873 from cnoeabs.peaks (0.79, 1.61, 41.93 ppm; 4.48 A): 5 out of 10 assignments used, quality = 1.00: * QD2 LEU 122 + HB2 LEU 122 OK 100 100 100 100 2.4-3.2 3.1=100 QD1 LEU 96 + HB2 LEU 122 OK 91 92 100 99 2.1-3.5 3100/3.0=31, 4.0/3868=24...(42) QD1 LEU 122 + HB2 LEU 122 OK 83 83 100 100 1.9-2.8 3.1=100 QD1 LEU 53 + HB2 LEU 122 OK 69 99 95 73 2.9-5.9 3907/4.3=30, 3900/3.5=20...(8) QD2 LEU 49 + HB2 LEU 122 OK 53 97 100 54 2.0-3.6 11681/11677=20...(10) QD1 LEU 103 - HB2 LEU 122 far 0 100 0 - 6.4-7.2 QD2 LEU 119 - HB2 LEU 122 far 0 93 0 - 6.7-7.9 QG1 VAL 63 - HB2 LEU 122 far 0 100 0 - 7.1-7.8 QD1 ILE 32 - HB3 LEU 22 far 0 68 0 - 7.4-15.5 QG2 ILE 80 - HB3 LEU 22 far 0 40 0 - 9.4-24.3 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 6 assignments used, quality = 1.00: * H LEU 123 + HB2 LEU 122 OK 100 100 100 100 3.2-3.9 4.3=100 H ARG 23 + HB3 LEU 22 OK 63 63 100 100 3.0-4.5 4.6=98, 375/2.9=82...(14) H LEU 96 - HB2 LEU 122 far 0 92 0 - 5.7-7.5 H LYS 31 - HB3 LEU 22 far 0 42 0 - 7.6-20.6 H ALA 29 - HB3 LEU 22 far 0 66 0 - 7.9-21.5 H GLU 30 - HB3 LEU 22 far 0 72 0 - 9.5-21.5 Violated in 0 structures by 0.00 A. Peak 3875 from cnoeabs.peaks (4.03, 1.79, 41.93 ppm; 4.48 A): 5 out of 27 assignments used, quality = 1.00: * HA LEU 119 + HB3 LEU 122 OK 100 100 100 100 3.6-5.0 3764=100, 3762/3.5=48...(11) HA LEU 103 + HB3 LEU 103 OK 98 98 100 100 3.0-3.0 3.0=100 HA LYS 95 + HB3 LEU 98 OK 84 84 100 100 4.1-4.6 2963=96, 3158/1.8=91...(23) HA LEU 122 + HB3 LEU 122 OK 73 73 100 100 2.4-3.0 3.0=100 HB3 SER 99 + HB3 LEU 122 OK 41 83 50 99 3.5-6.2 11702/3.1=48...(21) HB3 SER 99 - HB3 LEU 103 poor 19 82 40 59 4.8-6.5 3372/1.8=20...(9) HA LEU 96 - HB3 LEU 122 far 5 90 5 - 3.3-5.7 HB3 SER 99 - HB3 LEU 98 far 3 65 5 - 5.1-7.2 HA GLU 102 - HB3 LEU 103 far 0 70 0 - 5.6-5.8 HA SER 60 - HB3 LEU 103 far 0 90 0 - 5.6-7.0 HA LEU 119 - HB3 LEU 103 far 0 100 0 - 5.7-6.8 HA SER 50 - HB3 LEU 122 far 0 60 0 - 6.1-9.8 HA LEU 96 - HB3 LEU 98 far 0 72 0 - 6.4-7.5 HA GLU 102 - HB3 LEU 98 far 0 54 0 - 7.0-8.4 HB3 SER 124 - HB3 LEU 122 far 0 100 0 - 7.0-8.0 HA LYS 95 - HB3 LEU 122 far 0 99 0 - 7.3-10.2 HA LEU 122 - HB3 LEU 98 far 0 56 0 - 7.4-9.8 HA SER 50 - HB2 LEU 48 far 0 30 0 - 7.5-7.9 HA GLU 44 - HB2 LEU 48 far 0 39 0 - 7.5-8.0 HA LEU 122 - HB3 LEU 103 far 0 73 0 - 7.8-8.9 HA LEU 103 - HB3 LEU 122 far 0 98 0 - 7.8-9.2 HA LEU 96 - HB3 LEU 103 far 0 90 0 - 8.2-9.1 HA LEU 103 - HB3 LEU 98 far 0 81 0 - 8.9-11.4 HA GLU 102 - HB3 LEU 122 far 0 71 0 - 9.2-12.1 HA ALA 92 - HB3 LEU 122 far 0 78 0 - 9.6-11.7 HA ALA 92 - HB3 LEU 98 far 0 60 0 - 9.7-10.2 HA SER 60 - HB3 LEU 122 far 0 90 0 - 9.8-11.4 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 8 assignments used, quality = 1.00: * H LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.2-2.8 3.5=100 H VAL 63 - HB3 LEU 103 far 0 86 0 - 5.3-6.2 H GLN 127 - HB3 LEU 122 far 0 93 0 - 6.3-7.9 H LEU 122 - HB3 LEU 103 far 0 100 0 - 6.7-7.7 H VAL 63 - HB3 LEU 122 far 0 87 0 - 7.2-8.9 H LEU 122 - HB3 LEU 98 far 0 86 0 - 7.8-10.4 H VAL 63 - HB2 LEU 48 far 0 47 0 - 9.0-9.5 H GLN 127 - HB2 LEU 48 far 0 52 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 3877 from cnoeabs.peaks (4.05, 1.79, 41.93 ppm; 4.47 A): 3 out of 18 assignments used, quality = 1.00: * HA LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 119 + HB3 LEU 122 OK 65 73 100 89 3.6-5.0 3764=62, 3762/3.5=30...(10) HB THR 65 + HB2 LEU 48 OK 49 49 100 100 4.2-4.9 2.1/10991=61, ~9441=44...(31) HA LEU 96 - HB3 LEU 122 far 5 99 5 - 3.3-5.7 HA GLU 102 - HB3 LEU 103 far 0 100 0 - 5.6-5.8 HA LEU 119 - HB3 LEU 103 far 0 73 0 - 5.7-6.8 HA LEU 96 - HB3 LEU 98 far 0 82 0 - 6.4-7.5 HB THR 65 - HB3 LEU 122 far 0 90 0 - 6.6-8.9 HA GLU 102 - HB3 LEU 98 far 0 86 0 - 7.0-8.4 HB3 SER 124 - HB3 LEU 122 far 0 83 0 - 7.0-8.0 HA LEU 122 - HB3 LEU 98 far 0 86 0 - 7.4-9.8 HA GLU 44 - HB2 LEU 48 far 0 61 0 - 7.5-8.0 HA LEU 122 - HB3 LEU 103 far 0 100 0 - 7.8-8.9 HA LEU 96 - HB3 LEU 103 far 0 98 0 - 8.2-9.1 HB THR 65 - HB3 LEU 103 far 0 90 0 - 8.7-9.4 HA GLU 102 - HB3 LEU 122 far 0 100 0 - 9.2-12.1 HA ALA 92 - HB3 LEU 122 far 0 100 0 - 9.6-11.7 HA ALA 92 - HB3 LEU 98 far 0 85 0 - 9.7-10.2 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 13 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 2.2-2.8 3.0=100 HG LEU 122 - HB3 LEU 103 far 0 100 0 - 4.8-6.5 HG LEU 119 - HB3 LEU 103 far 0 94 0 - 5.7-7.1 HG LEU 119 - HB3 LEU 122 far 0 95 0 - 6.1-7.3 HB2 LEU 122 - HB3 LEU 103 far 0 100 0 - 6.9-8.2 HG LEU 122 - HB3 LEU 98 far 0 85 0 - 8.0-10.2 HG LEU 70 - HB3 LEU 122 far 0 100 0 - 8.1-10.4 HB2 LEU 122 - HB3 LEU 98 far 0 86 0 - 8.4-11.6 HB2 LEU 122 - HB2 LEU 48 far 0 61 0 - 8.8-10.5 HG LEU 70 - HB3 LEU 98 far 0 85 0 - 8.9-9.9 HG LEU 70 - HB3 LEU 103 far 0 100 0 - 9.1-9.8 HG LEU 122 - HB2 LEU 48 far 0 60 0 - 9.5-11.9 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): 3 out of 16 assignments used, quality = 1.00: * HG LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.2-2.8 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 far 0 100 0 - 4.8-6.5 HB2 LEU 103 - HB3 LEU 122 far 0 65 0 - 5.6-6.9 HG LEU 119 - HB3 LEU 103 far 0 88 0 - 5.7-7.1 HG LEU 119 - HB3 LEU 122 far 0 89 0 - 6.1-7.3 HB2 LEU 122 - HB3 LEU 103 far 0 100 0 - 6.9-8.2 HG LEU 122 - HB3 LEU 98 far 0 86 0 - 8.0-10.2 HG LEU 70 - HB3 LEU 122 far 0 99 0 - 8.1-10.4 HB2 LEU 103 - HB3 LEU 98 far 0 50 0 - 8.2-10.6 HB2 LEU 122 - HB3 LEU 98 far 0 85 0 - 8.4-11.6 HB2 LEU 122 - HB2 LEU 48 far 0 60 0 - 8.8-10.5 HG LEU 70 - HB3 LEU 98 far 0 83 0 - 8.9-9.9 HG LEU 70 - HB3 LEU 103 far 0 99 0 - 9.1-9.8 HG LEU 122 - HB2 LEU 48 far 0 61 0 - 9.5-11.9 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 28 assignments used, quality = 1.00: * QD1 LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.4-3.2 3.1=100 QD2 LEU 122 + HB3 LEU 122 OK 83 83 100 100 2.0-3.2 3.1=100 QG1 VAL 63 + HB3 LEU 103 OK 72 73 100 99 3.2-4.2 10965/3.0=31, 10963=27...(33) QD1 LEU 103 + HB3 LEU 103 OK 70 70 100 100 3.2-3.2 3.2=100 QD1 LEU 53 + HB3 LEU 122 OK 52 95 95 58 2.3-6.4 3907/4.3=19, 3872/1.8=14...(8) QD2 LEU 49 + HB3 LEU 122 OK 46 97 95 49 2.7-4.8 11681/11678=20...(9) QD1 LEU 122 + HB3 LEU 103 OK 45 100 65 69 3.3-6.1 3895=18, 3376/1.8=10...(21) QD2 LEU 122 + HB3 LEU 103 OK 22 82 40 67 3.0-5.5 2.1/3895=14, 3376/1.8=10...(20) QD1 LEU 103 - HB3 LEU 122 far 0 71 0 - 5.3-6.3 QD2 LEU 49 - HB2 LEU 48 far 0 56 0 - 5.3-5.9 QD2 LEU 119 - HB3 LEU 103 far 0 99 0 - 5.5-6.9 QD2 LEU 122 - HB3 LEU 98 far 0 65 0 - 5.6-8.3 QD2 LEU 119 - HB3 LEU 122 far 0 99 0 - 5.6-7.1 QD1 LEU 122 - HB3 LEU 98 far 0 86 0 - 5.6-9.0 QD1 LEU 53 - HB2 LEU 48 far 0 53 0 - 5.9-6.7 QD2 LEU 49 - HB3 LEU 103 far 0 97 0 - 6.4-7.1 QD1 LEU 70 - HB3 LEU 98 far 0 78 0 - 7.1-7.9 QD1 LEU 122 - HB2 LEU 48 far 0 61 0 - 7.1-10.5 QG1 VAL 63 - HB3 LEU 122 far 0 73 0 - 7.2-8.0 QD1 LEU 53 - HB3 LEU 103 far 0 94 0 - 7.5-9.3 QD1 LEU 70 - HB3 LEU 122 far 0 96 0 - 7.7-9.8 QD2 LEU 122 - HB2 LEU 48 far 0 44 0 - 8.7-10.5 QD1 LEU 103 - HB3 LEU 98 far 0 54 0 - 8.8-11.2 QD1 LEU 70 - HB3 LEU 103 far 0 95 0 - 9.1-9.8 QG2 ILE 129 - HB3 LEU 122 far 0 92 0 - 9.3-10.1 QG1 VAL 63 - HB3 LEU 98 far 0 56 0 - 9.5-10.6 QG1 VAL 63 - HB2 LEU 48 far 0 37 0 - 9.7-10.3 QD2 LEU 119 - HB2 LEU 48 far 0 59 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 3882 from cnoeabs.peaks (0.79, 1.79, 41.93 ppm; 3.94 A): 9 out of 28 assignments used, quality = 1.00: * QD2 LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 103 + HB3 LEU 103 OK 99 99 100 100 3.2-3.2 3.2=100 QG1 VAL 63 + HB3 LEU 103 OK 99 100 100 100 3.2-4.2 10965/3.0=45, 10963=38...(33) QD1 LEU 96 + HB3 LEU 122 OK 84 92 95 96 3.4-4.7 3100/3.0=26...(40) QD1 LEU 122 + HB3 LEU 122 OK 83 83 100 100 2.4-3.2 3.1=100 QD1 LEU 53 + HB3 LEU 122 OK 59 99 95 63 2.3-6.4 3907/4.3=23, 3903=17...(8) QD2 LEU 49 + HB3 LEU 122 OK 40 97 95 43 2.7-4.8 11681/11678=16...(9) QD1 LEU 122 + HB3 LEU 103 OK 36 82 65 68 3.3-6.1 3895=14, 3376/1.8=13...(21) QD2 LEU 122 + HB3 LEU 103 OK 20 100 30 68 3.0-5.5 3376/1.8=14, 2.1/3895=13...(20) QD1 LEU 103 - HB3 LEU 122 far 0 100 0 - 5.3-6.3 QD2 LEU 49 - HB2 LEU 48 far 0 56 0 - 5.3-5.9 QD2 LEU 119 - HB3 LEU 103 far 0 93 0 - 5.5-6.9 QD2 LEU 122 - HB3 LEU 98 far 0 86 0 - 5.6-8.3 QD2 LEU 119 - HB3 LEU 122 far 0 93 0 - 5.6-7.1 QD1 LEU 122 - HB3 LEU 98 far 0 65 0 - 5.6-9.0 QD1 LEU 53 - HB2 LEU 48 far 0 58 0 - 5.9-6.7 QD2 LEU 49 - HB3 LEU 103 far 0 97 0 - 6.4-7.1 QD1 LEU 96 - HB3 LEU 103 far 0 91 0 - 6.4-7.5 QD1 LEU 122 - HB2 LEU 48 far 0 44 0 - 7.1-10.5 QG1 VAL 63 - HB3 LEU 122 far 0 100 0 - 7.2-8.0 QD1 LEU 53 - HB3 LEU 103 far 0 99 0 - 7.5-9.3 QD1 LEU 96 - HB3 LEU 98 far 0 74 0 - 7.6-8.5 QD1 LEU 96 - HB2 LEU 48 far 0 51 0 - 8.1-8.5 QD2 LEU 122 - HB2 LEU 48 far 0 61 0 - 8.7-10.5 QD1 LEU 103 - HB3 LEU 98 far 0 84 0 - 8.8-11.2 QG1 VAL 63 - HB3 LEU 98 far 0 85 0 - 9.5-10.6 QG1 VAL 63 - HB2 LEU 48 far 0 60 0 - 9.7-10.3 QD2 LEU 119 - HB2 LEU 48 far 0 52 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 3883 from cnoeabs.peaks (8.26, 1.79, 41.93 ppm; 4.60 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 123 + HB3 LEU 122 OK 100 100 100 100 2.2-3.9 4.3=100 H SER 107 + HB3 LEU 103 OK 26 70 65 57 4.8-5.6 ~10115=13, 4.1/3379=11...(10) H LEU 96 - HB3 LEU 122 far 0 92 0 - 6.0-8.4 H LEU 96 - HB3 LEU 98 far 0 74 0 - 6.6-7.1 H LEU 123 - HB3 LEU 103 far 0 100 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 3884 from cnoeabs.peaks (8.18, 1.60, 27.00 ppm; 5.41 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 122 + HG LEU 122 OK 100 100 100 100 2.1-4.0 4.6=100 H LEU 122 - HG LEU 119 far 0 70 0 - 6.3-6.6 H VAL 63 - HG LEU 122 far 0 87 0 - 6.4-8.4 H GLN 127 - HG LEU 122 far 0 93 0 - 7.3-8.7 H VAL 63 - HG LEU 119 far 0 54 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 3885 from cnoeabs.peaks (4.05, 1.60, 27.00 ppm; 4.69 A): 4 out of 14 assignments used, quality = 1.00: * HA LEU 122 + HG LEU 122 OK 100 100 100 100 3.2-3.7 4.3=100 HA LEU 96 + HG LEU 122 OK 82 99 85 97 4.3-5.4 3901/2.1=41, 3893/2.1=29...(24) HA LEU 119 + HG LEU 122 OK 55 73 85 88 3.0-5.8 3764/3.0=43, 3763=29...(12) HA LEU 119 + HG LEU 119 OK 44 44 100 100 2.7-2.9 3.7=100 HB2 SER 74 - HG LEU 70 far 0 81 0 - 6.0-7.7 HB THR 65 - HG LEU 122 far 0 90 0 - 6.1-8.4 HB3 SER 74 - HG LEU 70 far 0 79 0 - 6.2-8.2 HB3 SER 124 - HG LEU 122 far 0 83 0 - 7.0-9.8 HA LEU 96 - HG LEU 70 far 0 94 0 - 7.1-7.5 HA LEU 122 - HG LEU 119 far 0 70 0 - 8.7-9.1 HA LEU 122 - HG LEU 70 far 0 97 0 - 8.7-9.4 HA GLU 102 - HG LEU 122 far 0 100 0 - 8.8-10.5 HA GLU 102 - HG LEU 119 far 0 69 0 - 9.4-10.8 HB THR 65 - HG LEU 70 far 0 85 0 - 9.6-10.6 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): 2 out of 23 assignments used, quality = 1.00: * HB3 LEU 122 + HG LEU 122 OK 100 100 100 100 2.2-2.8 3.0=100 HG LEU 100 + HG LEU 122 OK 82 89 95 97 1.9-4.6 ~9487=41, 3895/2.1=29...(31) HB3 LEU 123 - HG LEU 122 far 2 39 5 - 4.0-7.4 HB2 LEU 100 - HG LEU 70 far 0 58 0 - 4.3-4.8 HB2 LEU 100 - HG LEU 122 far 0 63 0 - 4.4-6.9 HB3 LEU 103 - HG LEU 122 far 0 100 0 - 4.8-6.5 HG LEU 100 - HG LEU 70 far 0 83 0 - 5.2-6.2 HB3 LEU 103 - HG LEU 119 far 0 69 0 - 5.7-7.1 HB3 LYS 24 - HG LEU 22 far 0 53 0 - 5.9-10.7 HB3 LEU 122 - HG LEU 119 far 0 70 0 - 6.1-7.3 HB3 ARG 23 - HG LEU 22 far 0 37 0 - 6.9-8.7 HB3 LYS 19 - HG LEU 22 far 0 57 0 - 7.2-10.1 HB3 LEU 123 - HG LEU 119 far 0 22 0 - 7.3-8.5 HB3 LYS 31 - HG LEU 22 far 0 57 0 - 7.8-23.2 HG LEU 100 - HG LEU 119 far 0 55 0 - 7.9-9.4 HB3 LEU 98 - HG LEU 122 far 0 98 0 - 8.0-10.2 HB3 LEU 122 - HG LEU 70 far 0 97 0 - 8.1-10.4 HB3 LYS 26 - HG LEU 22 far 0 44 0 - 8.5-15.1 HB3 LEU 98 - HG LEU 70 far 0 94 0 - 8.9-9.9 HB3 LEU 103 - HG LEU 70 far 0 97 0 - 9.1-9.8 HB3 LYS 24 - HG LEU 70 far 0 77 0 - 9.3-30.2 HB2 LEU 48 - HG LEU 122 far 0 95 0 - 9.5-11.9 HB2 LEU 100 - HG LEU 119 far 0 36 0 - 9.6-11.1 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): 5 out of 24 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 103 + HG LEU 119 OK 21 42 100 50 2.0-3.1 3759/3.7=11...(9) QD2 LEU 49 - HG LEU 122 far 15 97 15 - 2.9-4.5 QD1 LEU 53 - HG LEU 122 far 0 95 0 - 4.2-5.8 QD2 LEU 122 - HG LEU 119 far 0 51 0 - 4.3-7.5 QD1 LEU 103 - HG LEU 122 far 0 71 0 - 4.3-6.1 QD2 LEU 119 - HG LEU 122 far 0 99 0 - 5.4-7.1 QD1 LEU 122 - HG LEU 70 far 0 97 0 - 5.5-7.8 QD1 LEU 122 - HG LEU 119 far 0 70 0 - 5.6-8.1 QG1 VAL 63 - HG LEU 122 far 0 73 0 - 5.6-7.7 QD1 LEU 53 - HG LEU 119 far 0 61 0 - 5.7-7.3 QD2 LEU 122 - HG LEU 70 far 0 77 0 - 5.9-7.9 QD2 LEU 49 - HG LEU 70 far 0 93 0 - 6.6-7.4 QG1 VAL 63 - HG LEU 70 far 0 68 0 - 6.7-7.2 QD1 LEU 70 - HG LEU 122 far 0 96 0 - 7.4-9.6 QD2 LEU 49 - HG LEU 119 far 0 64 0 - 7.6-8.0 QG1 VAL 63 - HG LEU 119 far 0 44 0 - 7.7-8.7 QG2 ILE 129 - HG LEU 70 far 0 86 0 - 8.0-8.8 QG2 ILE 129 - HG LEU 122 far 0 92 0 - 9.2-10.8 QD1 LEU 53 - HG LEU 70 far 0 89 0 - 9.8-11.6 QD1 ILE 37 - HG LEU 70 far 0 58 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 3890 from cnoeabs.peaks (0.79, 1.60, 27.00 ppm; 3.71 A): 5 out of 24 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 QD2 LEU 119 + HG LEU 119 OK 60 60 100 100 2.1-2.1 2.1=100 QD1 LEU 96 + HG LEU 122 OK 57 92 75 83 2.6-4.7 3100/4.3=17, ~10337=16...(22) QD1 LEU 103 + HG LEU 119 OK 56 68 100 81 2.0-3.1 11548/10258=34...(11) QD2 LEU 49 - HG LEU 122 poor 17 97 70 25 2.9-4.5 3872/3.0=7, 3860/4.3=5...(8) QD1 LEU 103 - HG LEU 122 far 15 100 15 - 4.3-6.1 QD1 LEU 53 - HG LEU 122 far 5 99 5 - 4.2-5.8 QD1 LEU 96 - HG LEU 70 far 4 86 5 - 4.3-4.9 QD2 LEU 122 - HG LEU 119 far 3 70 5 - 4.3-7.5 QD2 LEU 119 - HG LEU 122 far 0 93 0 - 5.4-7.1 QD1 LEU 122 - HG LEU 70 far 0 77 0 - 5.5-7.8 QD1 LEU 122 - HG LEU 119 far 0 51 0 - 5.6-8.1 QG1 VAL 63 - HG LEU 122 far 0 100 0 - 5.6-7.7 QD1 LEU 53 - HG LEU 119 far 0 67 0 - 5.7-7.3 QD2 LEU 122 - HG LEU 70 far 0 97 0 - 5.9-7.9 QD1 ILE 32 - HG LEU 22 far 0 68 0 - 6.3-15.8 QD2 LEU 49 - HG LEU 70 far 0 93 0 - 6.6-7.4 QG1 VAL 63 - HG LEU 70 far 0 96 0 - 6.7-7.2 QD2 LEU 49 - HG LEU 119 far 0 64 0 - 7.6-8.0 QG1 VAL 63 - HG LEU 119 far 0 69 0 - 7.7-8.7 QD1 LEU 96 - HG LEU 119 far 0 58 0 - 8.9-10.0 QD1 LEU 53 - HG LEU 70 far 0 95 0 - 9.8-11.6 QD1 ILE 37 - HG LEU 70 far 0 94 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 3891 from cnoeabs.peaks (8.26, 1.60, 27.00 ppm; 5.52 A): 2 out of 10 assignments used, quality = 1.00: * H LEU 123 + HG LEU 122 OK 100 100 100 100 2.0-5.3 3899/2.1=91, 7744/3.0=67...(13) H ARG 23 + HG LEU 22 OK 63 63 100 100 4.6-6.0 6197/3.0=80, 375/4.3=80...(13) H SER 107 - HG LEU 119 far 0 42 0 - 6.4-8.1 H ALA 29 - HG LEU 22 far 0 67 0 - 6.8-21.6 H LEU 96 - HG LEU 122 far 0 92 0 - 6.9-8.2 H LEU 123 - HG LEU 119 far 0 70 0 - 6.9-7.5 H LEU 96 - HG LEU 70 far 0 86 0 - 7.1-7.6 H LYS 31 - HG LEU 22 far 0 42 0 - 8.6-21.8 H GLU 30 - HG LEU 22 far 0 72 0 - 8.6-21.9 H SER 107 - HG LEU 122 far 0 71 0 - 8.8-10.7 Violated in 0 structures by 0.00 A. Peak 3892 from cnoeabs.peaks (8.18, 0.81, 25.23 ppm; 4.58 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 122 + QD1 LEU 122 OK 100 100 100 100 2.3-4.1 4.3=100 H VAL 63 - QD1 LEU 122 poor 11 87 40 31 4.4-8.0 2.9/2016=10...(5) H GLN 127 - QD1 LEU 122 far 5 93 5 - 5.0-7.5 H LEU 122 - QD1 LEU 70 far 0 61 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 3893 from cnoeabs.peaks (4.05, 0.81, 25.23 ppm; 3.82 A increased from 3.60 A): 2 out of 14 assignments used, quality = 1.00: * HA LEU 122 + QD1 LEU 122 OK 100 100 100 100 1.8-3.8 3.8=99, 3.6/3899=38...(21) HA LEU 96 + QD1 LEU 122 OK 65 99 70 94 1.8-4.8 3860=18, 7388/10026=17...(28) HA LEU 119 - QD1 LEU 122 poor 17 73 35 67 3.7-6.2 3764/3.1=28, 3762/4.3=18...(9) HB2 SER 74 - QD1 LEU 70 poor 12 47 85 30 3.1-4.7 ~9842=16, 2282/11115=10...(4) HB3 SER 74 - QD1 LEU 70 poor 9 46 70 29 3.5-5.1 ~9842=16, 2282/11115=8...(4) HB THR 65 - QD1 LEU 122 far 0 90 0 - 4.7-7.4 HA LEU 96 - QD1 LEU 70 far 0 58 0 - 6.2-6.5 HB3 SER 124 - QD1 LEU 122 far 0 83 0 - 6.5-8.9 HA GLU 102 - QD1 LEU 122 far 0 100 0 - 7.3-10.0 HA ALA 92 - QD1 LEU 122 far 0 100 0 - 7.3-10.5 HA LEU 122 - QD1 LEU 70 far 0 61 0 - 7.8-8.5 HA ALA 92 - QD1 LEU 70 far 0 61 0 - 8.3-9.2 HB2 SER 74 - QD1 LEU 122 far 0 87 0 - 9.8-12.9 HB THR 65 - QD1 LEU 70 far 0 50 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 3894 from cnoeabs.peaks (1.61, 0.81, 25.23 ppm; 3.58 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LEU 122 + QD1 LEU 122 OK 100 100 100 100 1.9-2.8 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 70 - QD1 LEU 122 far 0 100 0 - 5.5-7.8 HG LEU 119 - QD1 LEU 122 far 0 95 0 - 5.6-8.1 HB2 LEU 122 - QD1 LEU 70 far 0 61 0 - 7.3-8.7 HG LEU 122 - QD1 LEU 70 far 0 61 0 - 7.4-9.6 HG3 ARG 23 - QD1 LEU 70 far 0 49 0 - 8.3-24.0 Violated in 0 structures by 0.00 A. Peak 3895 from cnoeabs.peaks (1.79, 0.81, 25.23 ppm; 3.18 A): 3 out of 15 assignments used, quality = 1.00: * HB3 LEU 122 + QD1 LEU 122 OK 100 100 100 100 2.4-3.2 3.1=100 HG LEU 100 + QD1 LEU 122 OK 83 89 100 93 1.7-3.5 2.1/9487=41, 3887/2.1=25...(29) HB2 LEU 100 + QD1 LEU 122 OK 20 63 35 91 3.3-5.7 3.2/9487=31...(33) HB3 LEU 103 - QD1 LEU 122 poor 12 100 25 49 3.3-6.1 ~3376=6, 3881=6, ~3376=5...(20) HB3 LEU 123 - QD1 LEU 122 far 2 39 5 - 3.0-6.6 HB2 LEU 100 - QD1 LEU 70 far 0 32 0 - 4.7-5.5 HB3 LEU 98 - QD1 LEU 122 far 0 98 0 - 5.6-9.0 HG LEU 100 - QD1 LEU 70 far 0 49 0 - 5.7-6.7 HB3 LYS 24 - QD1 LEU 70 far 0 44 0 - 6.0-23.9 HB3 LEU 98 - QD1 LEU 70 far 0 58 0 - 7.1-7.9 HB2 LEU 48 - QD1 LEU 122 far 0 95 0 - 7.1-10.5 HB3 LEU 122 - QD1 LEU 70 far 0 61 0 - 7.7-9.8 HB3 LYS 19 - QD1 LEU 70 far 0 47 0 - 8.0-30.7 HB3 LEU 103 - QD1 LEU 70 far 0 61 0 - 9.1-9.8 HB3 ARG 23 - QD1 LEU 70 far 0 30 0 - 9.3-24.2 Violated in 0 structures by 0.00 A. Peak 3896 from cnoeabs.peaks (1.60, 0.81, 25.23 ppm; 3.03 A): 3 out of 11 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 98 1.9-2.8 3.1=89, 4.3/3899=19...(21) HG LEU 70 + QD1 LEU 70 OK 59 59 100 100 2.1-2.1 2.1=100 HB2 LEU 103 - QD1 LEU 122 poor 13 65 20 - 3.4-5.8 HG LEU 70 - QD1 LEU 122 far 0 99 0 - 5.5-7.8 HG LEU 119 - QD1 LEU 122 far 0 89 0 - 5.6-8.1 HB2 LEU 122 - QD1 LEU 70 far 0 61 0 - 7.3-8.7 HG2 ARG 23 - QD1 LEU 70 far 0 30 0 - 7.4-23.3 HG LEU 122 - QD1 LEU 70 far 0 61 0 - 7.4-9.6 HG3 ARG 23 - QD1 LEU 70 far 0 43 0 - 8.3-24.0 HB2 LEU 103 - QD1 LEU 70 far 0 33 0 - 9.9-10.5 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; 4.78 A increased from 4.25 A): 1 out of 5 assignments used, quality = 0.98: * H LEU 123 + QD1 LEU 122 OK 98 100 100 98 2.5-4.9 7744/3.1=57, 3891/2.1=36...(14) H LEU 96 - QD1 LEU 122 far 14 92 15 - 4.2-7.0 H LEU 96 - QD1 LEU 70 poor 10 51 20 - 5.2-5.8 H SER 107 - QD1 LEU 122 far 0 71 0 - 7.5-9.6 H ARG 23 - QD1 LEU 70 far 0 52 0 - 8.9-24.1 Violated in 3 structures by 0.01 A. Peak 3900 from cnoeabs.peaks (8.18, 0.79, 26.05 ppm; 4.55 A): 3 out of 6 assignments used, quality = 1.00: * H LEU 122 + QD2 LEU 122 OK 100 100 100 100 2.0-3.2 5.1=72, 2.9/3901=49...(37) H LEU 122 + QD1 LEU 53 OK 74 93 85 93 4.0-6.3 3.3/3907=38, ~11818=34...(15) H GLN 127 + QD1 LEU 53 OK 33 83 70 57 4.4-6.8 7759/11585=17...(9) H VAL 63 - QD2 LEU 122 far 0 87 0 - 5.2-8.1 H VAL 63 - QD1 LEU 53 far 0 76 0 - 6.2-7.9 H GLN 127 - QD2 LEU 122 far 0 93 0 - 6.5-7.8 Violated in 0 structures by 0.00 A. Peak 3901 from cnoeabs.peaks (4.05, 0.79, 26.05 ppm; 3.65 A): 2 out of 13 assignments used, quality = 1.00: * HA LEU 122 + QD2 LEU 122 OK 98 100 100 98 1.8-4.0 3.9=79, 3860/2.1=23...(26) HA LEU 96 + QD2 LEU 122 OK 76 99 85 91 1.8-4.8 3.0/10337=26...(26) HA LEU 119 - QD1 LEU 53 poor 19 63 30 - 3.8-5.1 HA LEU 119 - QD2 LEU 122 poor 15 73 20 - 2.4-5.7 HA LEU 122 - QD1 LEU 53 far 0 93 0 - 4.3-7.1 HB THR 65 - QD1 LEU 53 far 0 80 0 - 5.0-5.7 HB THR 65 - QD2 LEU 122 far 0 90 0 - 5.7-7.6 HB3 SER 124 - QD1 LEU 53 far 0 72 0 - 6.0-8.0 HA LEU 96 - QD1 LEU 53 far 0 90 0 - 6.4-8.4 HA GLU 102 - QD2 LEU 122 far 0 100 0 - 6.7-7.9 HB3 SER 124 - QD2 LEU 122 far 0 83 0 - 6.7-7.8 HA ALA 92 - QD2 LEU 122 far 0 100 0 - 7.1-10.2 HA ALA 92 - QD1 LEU 53 far 0 93 0 - 10.0-12.6 Violated in 1 structures by 0.01 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 2.4-3.2 3.1=100 HG LEU 122 + QD2 LEU 122 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 122 + QD1 LEU 53 OK 42 93 85 53 2.9-5.9 4.3/3907=18, 1.8/3903=12...(8) HG LEU 122 - QD1 LEU 53 far 0 93 0 - 4.2-5.8 HG LEU 119 - QD2 LEU 122 far 0 95 0 - 4.3-7.5 HG LEU 119 - QD1 LEU 53 far 0 85 0 - 5.7-7.3 HG LEU 70 - QD2 LEU 122 far 0 100 0 - 5.9-7.9 HG LEU 70 - QD1 LEU 53 far 0 93 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 3903 from cnoeabs.peaks (1.79, 0.79, 26.05 ppm; 3.40 A): 5 out of 13 assignments used, quality = 1.00: * HB3 LEU 122 + QD2 LEU 122 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 100 + QD2 LEU 122 OK 86 89 100 97 1.9-3.1 ~9487=38, 3887/2.1=28...(31) HB2 LEU 100 + QD2 LEU 122 OK 51 63 85 96 3.2-4.3 ~9487=25, ~9487=18...(36) HB3 LEU 122 + QD1 LEU 53 OK 41 93 90 48 2.3-6.4 4.3/3907=17, 1.8/3902=12...(7) HB3 LEU 123 + QD1 LEU 53 OK 31 33 100 94 1.8-3.2 1.8/11571=59...(13) HB3 LEU 103 - QD2 LEU 122 far 15 100 15 - 3.0-5.5 HB3 LEU 123 - QD2 LEU 122 far 0 39 0 - 5.0-6.8 HB3 LEU 98 - QD2 LEU 122 far 0 98 0 - 5.6-8.3 HB2 LEU 48 - QD1 LEU 53 far 0 85 0 - 5.9-6.7 HG LEU 100 - QD1 LEU 53 far 0 78 0 - 6.2-7.6 HB3 LEU 103 - QD1 LEU 53 far 0 93 0 - 7.5-9.3 HB2 LEU 100 - QD1 LEU 53 far 0 54 0 - 8.3-9.8 HB2 LEU 48 - QD2 LEU 122 far 0 95 0 - 8.7-10.5 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 2.4-3.2 3.1=100 HB2 LEU 122 + QD1 LEU 53 OK 42 93 85 53 2.9-5.9 4.3/3907=18, 1.8/3903=12...(8) HB2 LEU 103 - QD2 LEU 122 poor 13 65 35 58 2.7-4.9 3376=8, ~3895=7...(24) HG LEU 122 - QD1 LEU 53 far 0 93 0 - 4.2-5.8 HG LEU 119 - QD2 LEU 122 far 0 89 0 - 4.3-7.5 HG LEU 119 - QD1 LEU 53 far 0 78 0 - 5.7-7.3 HG LEU 70 - QD2 LEU 122 far 0 99 0 - 5.9-7.9 HB2 LEU 103 - QD1 LEU 53 far 0 56 0 - 7.0-8.8 HG LEU 70 - QD1 LEU 53 far 0 91 0 - 9.8-11.6 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 6 assignments used, quality = 0.96: H LEU 123 + QD1 LEU 53 OK 87 93 95 98 1.9-4.6 3.9/11571=43...(22) * H LEU 123 + QD2 LEU 122 OK 60 100 65 92 3.7-4.6 7744/3.1=38, 3.6/3901=30...(12) H LEU 96 + QD2 LEU 122 OK 21 92 25 90 4.1-7.0 2.9/3901=26...(30) H SER 107 - QD2 LEU 122 far 0 71 0 - 6.6-9.8 H LEU 96 - QD1 LEU 53 far 0 82 0 - 8.4-10.5 H ASP 131 - QD1 LEU 53 far 0 87 0 - 9.3-11.8 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 2.7-2.8 2.9=100 H LEU 96 - HA LEU 123 far 0 92 0 - 8.7-9.6 H ASP 131 - HA LEU 123 far 0 97 0 - 9.7-10.5 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 4 assignments used, quality = 1.00: * HB2 LEU 123 + HA LEU 123 OK 100 100 100 100 2.9-3.0 3.0=100 HG LEU 62 - HA LEU 123 far 0 100 0 - 8.4-9.5 HB2 LEU 69 - HA LEU 123 far 0 85 0 - 8.5-9.3 HG LEU 119 - HA LEU 123 far 0 63 0 - 8.8-9.7 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 2.2-2.4 3.0=100 HB3 LEU 119 - HA LEU 123 far 0 100 0 - 7.6-8.5 HB3 LEU 48 - HA LEU 123 far 0 87 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 3912 from cnoeabs.peaks (1.57, 3.85, 58.53 ppm; 4.42 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 123 + HA LEU 123 OK 100 100 100 100 3.6-3.7 3.7=100 HG LEU 49 - HA LEU 123 far 0 100 0 - 5.7-6.6 HB2 LEU 119 - HA LEU 123 far 0 78 0 - 6.8-7.7 HB2 LEU 103 - HA LEU 123 far 0 97 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 3913 from cnoeabs.peaks (0.88, 3.85, 58.53 ppm; 4.05 A increased from 3.81 A): 1 out of 9 assignments used, quality = 1.00: * QD2 LEU 123 + HA LEU 123 OK 100 100 100 100 3.5-4.0 3.9=100 QD1 LEU 49 - HA LEU 123 far 0 63 0 - 4.9-5.8 QD1 LEU 62 - HA LEU 123 far 0 60 0 - 5.5-6.7 QD2 LEU 69 - HA LEU 123 far 0 92 0 - 6.5-7.3 QG1 VAL 118 - HA LEU 123 far 0 92 0 - 7.3-8.1 QG2 VAL 57 - HA LEU 123 far 0 78 0 - 8.1-8.7 QD2 LEU 70 - HA LEU 123 far 0 63 0 - 8.2-9.1 QD2 LEU 48 - HA LEU 123 far 0 73 0 - 9.1-9.8 QG2 VAL 63 - HA LEU 123 far 0 68 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 3914 from cnoeabs.peaks (0.93, 3.85, 58.53 ppm; 3.64 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 123 + HA LEU 123 OK 100 100 100 100 1.9-2.3 4.0=73, 3952/2.9=48...(24) QG1 VAL 126 + HA LEU 123 OK 54 60 100 90 3.8-4.1 2.1/3917=50, 4.0/3916=30...(15) QD1 LEU 49 - HA LEU 123 far 0 92 0 - 4.9-5.8 QD1 LEU 62 - HA LEU 123 far 0 93 0 - 5.5-6.7 QG1 VAL 118 - HA LEU 123 far 0 63 0 - 7.3-8.1 QD1 LEU 119 - HA LEU 123 far 0 93 0 - 8.4-9.1 QD2 LEU 48 - HA LEU 123 far 0 85 0 - 9.1-9.8 QD1 LEU 48 - HA LEU 123 far 0 100 0 - 9.1-10.0 QG2 VAL 63 - HA LEU 123 far 0 89 0 - 9.3-10.3 QG1 VAL 57 - HA LEU 123 far 0 81 0 - 9.9-10.8 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 1 assignment used, quality = 1.00: * H SER 124 + HA LEU 123 OK 100 100 100 100 3.6-3.6 3.6=100 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 = 0.99: * H VAL 126 + HA LEU 123 OK 99 100 100 99 3.5-3.9 7797/3917=66...(16) H LEU 49 - HA LEU 123 far 0 96 0 - 6.0-7.0 H LEU 96 - HA LEU 123 far 0 90 0 - 8.7-9.6 H SER 99 - HA LEU 123 far 0 100 0 - 9.2-10.7 H ASP 131 - HA LEU 123 far 0 83 0 - 9.7-10.5 H LEU 69 - HA LEU 123 far 0 99 0 - 9.9-10.8 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 2 assignments used, quality = 0.99: * HB VAL 126 + HA LEU 123 OK 99 100 100 99 2.7-3.0 4008=74, 7797/3916=49...(16) HB2 GLU 128 - HA LEU 123 far 0 73 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 3918 from cnoeabs.peaks (4.42, 1.65, 41.23 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 120 + HB2 LEU 123 OK 100 100 100 100 2.1-2.6 3813=100, 3927/1.8=89...(15) HA THR 54 - HB2 LEU 123 far 0 100 0 - 6.8-8.8 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 2 assignments used, quality = 1.00: * H LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.1-2.5 3.9=100 H LEU 96 - HB2 LEU 123 far 0 92 0 - 9.9-10.6 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 3 assignments used, quality = 1.00: * HA LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 SER 50 - HB2 LEU 123 far 0 97 0 - 5.6-7.7 HA LEU 62 - HB2 LEU 123 far 0 100 0 - 8.5-10.2 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): 1 out of 2 assignments used, quality = 0.98: * HB3 LEU 123 + HB2 LEU 123 OK 98 98 100 100 1.8-1.8 1.8=100 HB3 LEU 119 - HB2 LEU 123 far 0 100 0 - 5.6-6.6 Violated in 0 structures by 0.00 A. Peak 3923 from cnoeabs.peaks (1.57, 1.65, 41.23 ppm; 4.35 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.3-2.4 3.0=100 HB2 LEU 119 - HB2 LEU 123 far 0 78 0 - 5.5-6.5 HG LEU 49 - HB2 LEU 123 far 0 100 0 - 7.7-9.0 HB2 LEU 103 - HB2 LEU 123 far 0 97 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 3924 from cnoeabs.peaks (0.88, 1.65, 41.23 ppm; 3.55 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.3-2.7 3.2=100 QD1 LEU 62 - HB2 LEU 123 far 0 60 0 - 4.7-6.5 QG1 VAL 118 - HB2 LEU 123 far 0 92 0 - 6.7-7.4 QD1 LEU 49 - HB2 LEU 123 far 0 63 0 - 7.0-8.2 QG2 VAL 57 - HB2 LEU 123 far 0 78 0 - 7.5-9.0 QD2 LEU 69 - HB2 LEU 123 far 0 92 0 - 8.8-9.8 QG2 VAL 63 - HB2 LEU 123 far 0 68 0 - 9.6-10.8 QD2 LEU 70 - HB2 LEU 123 far 0 63 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 3925 from cnoeabs.peaks (0.93, 1.65, 41.23 ppm; 3.91 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 123 + HB2 LEU 123 OK 100 100 100 100 3.1-3.2 3.2=100 QD1 LEU 62 - HB2 LEU 123 far 0 93 0 - 4.7-6.5 QG1 VAL 126 - HB2 LEU 123 far 0 60 0 - 6.3-6.7 QG1 VAL 118 - HB2 LEU 123 far 0 63 0 - 6.7-7.4 QD1 LEU 119 - HB2 LEU 123 far 0 93 0 - 6.8-7.6 QD1 LEU 49 - HB2 LEU 123 far 0 92 0 - 7.0-8.2 QG2 VAL 63 - HB2 LEU 123 far 0 89 0 - 9.6-10.8 QG1 VAL 57 - HB2 LEU 123 far 0 81 0 - 9.7-11.3 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 1 assignment used, quality = 1.00: * H SER 124 + HB2 LEU 123 OK 100 100 100 100 2.1-2.6 7763=100, 7764/1.8=86...(18) 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 3.0-4.2 3813/1.8=92...(16) HA THR 54 - HB3 LEU 123 far 0 98 0 - 6.0-7.9 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 1 assignment used, quality = 0.98: * H LEU 123 + HB3 LEU 123 OK 98 98 100 100 2.5-3.0 3.9=100 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 = 0.99: * HA LEU 123 + HB3 LEU 123 OK 98 98 100 100 2.2-2.4 3.0=100 HB2 SER 50 + HB3 LEU 123 OK 37 94 40 99 4.3-6.6 ~11339=46, 11773/3.2=44...(22) HA LEU 62 - HB3 LEU 123 far 0 98 0 - 7.7-8.7 HB2 SER 130 - HB3 LEU 123 far 0 64 0 - 10.0-12.9 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 3 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 119 - HB3 LEU 123 far 0 58 0 - 7.3-8.5 HG LEU 62 - HB3 LEU 123 far 0 98 0 - 7.4-8.4 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): 1 out of 4 assignments used, quality = 0.98: * HG LEU 123 + HB3 LEU 123 OK 98 98 100 100 2.9-3.0 3.0=100 HB2 LEU 119 - HB3 LEU 123 far 0 74 0 - 4.9-6.1 HG LEU 49 - HB3 LEU 123 far 0 97 0 - 6.6-7.7 HB2 LEU 103 - HB3 LEU 123 far 0 94 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 3933 from cnoeabs.peaks (0.88, 1.88, 41.23 ppm; 3.60 A): 1 out of 9 assignments used, quality = 0.98: * QD2 LEU 123 + HB3 LEU 123 OK 98 98 100 100 2.1-2.4 3.2=100 QD1 LEU 62 - HB3 LEU 123 far 0 56 0 - 4.4-5.5 QD1 LEU 49 - HB3 LEU 123 far 0 58 0 - 6.0-7.2 QG2 VAL 57 - HB3 LEU 123 far 0 74 0 - 6.8-7.7 QG1 VAL 118 - HB3 LEU 123 far 0 87 0 - 6.9-8.1 QD2 LEU 69 - HB3 LEU 123 far 0 87 0 - 7.9-9.0 QG2 VAL 63 - HB3 LEU 123 far 0 64 0 - 9.0-10.0 QD2 LEU 48 - HB3 LEU 123 far 0 69 0 - 9.2-10.5 QD2 LEU 70 - HB3 LEU 123 far 0 58 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 3934 from cnoeabs.peaks (0.93, 1.88, 41.23 ppm; 3.49 A): 1 out of 10 assignments used, quality = 0.98: * QD1 LEU 123 + HB3 LEU 123 OK 98 98 100 100 2.4-2.7 3.2=100 QD1 LEU 62 - HB3 LEU 123 far 0 89 0 - 4.4-5.5 QG1 VAL 126 - HB3 LEU 123 far 0 56 0 - 5.4-6.0 QD1 LEU 49 - HB3 LEU 123 far 0 87 0 - 6.0-7.2 QD1 LEU 119 - HB3 LEU 123 far 0 89 0 - 6.7-7.9 QG1 VAL 118 - HB3 LEU 123 far 0 58 0 - 6.9-8.1 QG1 VAL 57 - HB3 LEU 123 far 0 76 0 - 8.8-10.0 QG2 VAL 63 - HB3 LEU 123 far 0 84 0 - 9.0-10.0 QD2 LEU 48 - HB3 LEU 123 far 0 80 0 - 9.2-10.5 QD1 LEU 48 - HB3 LEU 123 far 0 97 0 - 9.6-11.0 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 1 assignment used, quality = 0.98: * H SER 124 + HB3 LEU 123 OK 98 98 100 100 3.6-3.9 4.6=100 Violated in 0 structures by 0.00 A. Peak 3936 from cnoeabs.peaks (8.26, 1.57, 26.72 ppm; 4.52 A): 3 out of 9 assignments used, quality = 1.00: * H LEU 123 + HG LEU 123 OK 100 100 100 100 4.0-4.5 4.6=94, 3952/2.1=81...(15) H ARG 23 + HG2 ARG 23 OK 66 66 100 100 2.2-4.2 6205=88, 6203/3.0=81...(16) H SER 107 + HG LEU 103 OK 31 55 100 57 4.0-5.0 3.0/11630=19, ~10115=16...(8) H SER 33 - HG2 ARG 23 far 2 42 5 - 4.6-16.9 H LYS 31 - HG2 ARG 23 far 0 44 0 - 5.8-18.6 H LEU 123 - HG LEU 49 far 0 78 0 - 6.5-7.6 H ALA 29 - HG2 ARG 23 far 0 70 0 - 8.3-18.4 H GLU 30 - HG2 ARG 23 far 0 76 0 - 8.4-18.9 H LEU 123 - HG LEU 103 far 0 87 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 3937 from cnoeabs.peaks (3.85, 1.57, 26.72 ppm; 4.82 A): 3 out of 10 assignments used, quality = 1.00: * HA LEU 123 + HG LEU 123 OK 100 100 100 100 3.6-3.7 3.7=100 HA LEU 62 + HG LEU 49 OK 74 77 100 96 4.0-4.6 10994/2.1=62, 10950=62...(7) HB2 SER 50 + HG LEU 123 OK 44 97 45 100 4.7-7.0 ~11339=63, ~11874=58...(21) HB3 SER 33 - HG2 ARG 23 far 4 75 5 - 5.0-19.8 HA LEU 123 - HG LEU 49 far 0 78 0 - 5.7-6.6 HA LEU 62 - HG LEU 103 far 0 87 0 - 6.6-7.7 HB2 SER 50 - HG LEU 49 far 0 72 0 - 6.7-8.0 HB2 SER 130 - HG LEU 49 far 0 46 0 - 9.4-12.2 HB2 SER 130 - HG LEU 123 far 0 68 0 - 9.8-12.1 HD2 PRO 117 - HG LEU 103 far 0 79 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 3938 from cnoeabs.peaks (1.65, 1.57, 26.72 ppm; 4.35 A): 2 out of 20 assignments used, quality = 1.00: * HB2 LEU 123 + HG LEU 123 OK 100 100 100 100 2.3-2.4 3.0=100 HG3 ARG 23 + HG2 ARG 23 OK 48 48 100 100 1.8-1.8 1.8=100 HD2 LYS 24 - HG2 ARG 23 far 10 70 15 - 4.2-9.3 HD3 LYS 24 - HG2 ARG 23 poor 9 71 35 35 3.2-9.1 5.9/6215=30, 854/6205=3 HG LEU 119 - HG LEU 103 far 2 48 5 - 4.9-6.0 HD3 LYS 31 - HG2 ARG 23 far 0 71 0 - 5.6-20.5 HD2 LYS 31 - HG2 ARG 23 far 0 70 0 - 5.8-21.8 HG LEU 62 - HG LEU 103 far 0 87 0 - 6.2-7.4 HD3 LYS 26 - HG2 ARG 23 far 0 73 0 - 6.3-13.4 HB2 LEU 69 - HG LEU 49 far 0 59 0 - 6.4-6.9 HG LEU 62 - HG LEU 49 far 0 77 0 - 6.5-7.2 HD2 LYS 26 - HG2 ARG 23 far 0 71 0 - 7.2-13.0 HD2 LYS 36 - HG2 ARG 23 far 0 56 0 - 7.5-20.9 HB2 LEU 123 - HG LEU 49 far 0 78 0 - 7.7-9.0 HD2 LYS 86 - HG2 ARG 23 far 0 72 0 - 7.9-24.7 HD3 LYS 86 - HG2 ARG 23 far 0 72 0 - 8.2-25.7 HD3 LYS 36 - HG2 ARG 23 far 0 56 0 - 8.7-22.6 HD3 LYS 19 - HG2 ARG 23 far 0 76 0 - 9.0-13.6 HD2 LYS 19 - HG2 ARG 23 far 0 76 0 - 9.4-12.6 HG LEU 119 - HG LEU 123 far 0 63 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 3939 from cnoeabs.peaks (1.88, 1.57, 26.72 ppm; 4.23 A): 2 out of 6 assignments used, quality = 0.99: * HB3 LEU 123 + HG LEU 123 OK 98 98 100 100 2.9-3.0 3.0=100 HB3 LEU 48 + HG LEU 49 OK 54 61 95 93 3.9-5.0 4.6/6606=40...(15) HB3 LEU 123 - HG LEU 49 far 0 73 0 - 6.6-7.7 HB3 LEU 119 - HG LEU 123 far 0 100 0 - 7.5-8.4 HB3 LEU 119 - HG LEU 103 far 0 86 0 - 7.6-8.4 HB3 LYS 36 - HG2 ARG 23 far 0 73 0 - 9.6-21.0 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): 3 out of 26 assignments used, quality = 1.00: * QD2 LEU 123 + HG LEU 123 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 63 + HG LEU 103 OK 46 53 100 87 1.8-2.7 11822/2.1=23, ~11832=16...(29) QD1 LEU 49 + HG LEU 49 OK 42 42 100 100 2.1-2.1 2.1=100 QG2 VAL 20 - HG2 ARG 23 poor 15 73 20 - 2.5-5.1 QD1 LEU 22 - HG2 ARG 23 far 0 71 0 - 3.6-7.6 QD2 LEU 69 - HG LEU 49 far 0 66 0 - 3.7-4.0 QG1 VAL 118 - HG LEU 103 far 0 75 0 - 3.7-4.3 QD1 LEU 62 - HG LEU 103 far 0 46 0 - 4.9-5.5 QG1 VAL 20 - HG2 ARG 23 far 0 50 0 - 5.1-7.3 QD2 LEU 48 - HG LEU 49 far 0 50 0 - 5.4-6.3 QD1 LEU 62 - HG LEU 49 far 0 40 0 - 5.5-6.1 QG2 VAL 57 - HG LEU 49 far 0 54 0 - 6.7-7.2 QD1 LEU 62 - HG LEU 123 far 0 60 0 - 6.7-7.8 QD2 LEU 70 - HG LEU 49 far 0 42 0 - 7.0-7.5 QG2 VAL 63 - HG LEU 49 far 0 46 0 - 7.0-7.6 QD2 LEU 123 - HG LEU 49 far 0 78 0 - 7.3-8.0 QD1 LEU 49 - HG LEU 123 far 0 63 0 - 7.9-8.8 QG2 VAL 57 - HG LEU 103 far 0 62 0 - 8.0-8.7 QG1 VAL 118 - HG LEU 49 far 0 66 0 - 8.1-8.9 QG1 VAL 118 - HG LEU 123 far 0 92 0 - 8.4-9.3 QG2 VAL 57 - HG LEU 123 far 0 78 0 - 9.0-9.7 QD1 LEU 49 - HG LEU 103 far 0 48 0 - 9.0-10.3 QD1 LEU 98 - HG LEU 103 far 0 62 0 - 9.2-11.3 QD2 LEU 70 - HG LEU 103 far 0 48 0 - 9.4-10.3 QD2 LEU 69 - HG LEU 123 far 0 92 0 - 9.4-10.2 QD2 LEU 70 - HG2 ARG 23 far 0 41 0 - 9.8-25.2 Violated in 0 structures by 0.00 A. Peak 3942 from cnoeabs.peaks (0.93, 1.57, 26.72 ppm; 3.30 A): 4 out of 25 assignments used, quality = 1.00: * QD1 LEU 123 + HG LEU 123 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 63 + HG LEU 103 OK 68 72 100 95 1.8-2.7 1584=27, 11822/2.1=23...(30) QD1 LEU 49 + HG LEU 49 OK 66 66 100 100 2.1-2.1 2.1=100 QG1 VAL 118 + HG LEU 103 OK 31 48 65 99 3.7-4.3 ~11611=34, ~10265=33...(23) QG1 VAL 126 - HG LEU 49 far 0 40 0 - 3.9-4.2 QD1 LEU 62 - HG LEU 103 far 0 77 0 - 4.9-5.5 QD1 LEU 48 - HG LEU 49 far 0 77 0 - 4.9-5.7 QG1 VAL 20 - HG2 ARG 23 far 0 56 0 - 5.1-7.3 QD2 LEU 48 - HG LEU 49 far 0 59 0 - 5.4-6.3 QD1 LEU 62 - HG LEU 49 far 0 67 0 - 5.5-6.1 QD1 LEU 119 - HG LEU 103 far 0 77 0 - 5.7-6.8 QD1 LEU 123 - HG LEU 49 far 0 78 0 - 6.1-7.0 QG1 VAL 126 - HG LEU 123 far 0 60 0 - 6.5-6.8 QD1 LEU 62 - HG LEU 123 far 0 93 0 - 6.7-7.8 QG2 VAL 63 - HG LEU 49 far 0 63 0 - 7.0-7.6 QG1 VAL 57 - HG LEU 49 far 0 55 0 - 7.5-8.5 QD1 LEU 49 - HG LEU 123 far 0 92 0 - 7.9-8.8 QG2 VAL 112 - HG LEU 103 far 0 86 0 - 7.9-9.6 QG1 VAL 118 - HG LEU 49 far 0 42 0 - 8.1-8.9 QD1 LEU 119 - HG LEU 123 far 0 93 0 - 8.3-9.0 QG1 VAL 118 - HG LEU 123 far 0 63 0 - 8.4-9.3 QD1 LEU 49 - HG LEU 103 far 0 75 0 - 9.0-10.3 QG1 VAL 57 - HG LEU 103 far 0 64 0 - 9.3-10.3 QG2 ILE 37 - HG2 ARG 23 far 0 73 0 - 9.9-21.3 QD1 LEU 119 - HG LEU 49 far 0 67 0 - 10.0-10.4 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 8 assignments used, quality = 1.00: * H SER 124 + HG LEU 123 OK 100 100 100 100 2.2-3.1 7765=100, 7767/2.1=88...(19) HD22 ASN 116 + HG LEU 103 OK 32 46 80 87 4.5-5.8 ~10219=66, ~11425=48...(4) H ASP 64 - HG LEU 103 far 0 78 0 - 6.2-7.4 H ASP 64 - HG LEU 49 far 0 69 0 - 7.0-7.5 H VAL 112 - HG LEU 103 far 0 81 0 - 8.3-10.9 H THR 18 - HG2 ARG 23 far 0 42 0 - 8.5-12.3 H SER 124 - HG LEU 49 far 0 78 0 - 9.0-9.8 H ILE 37 - HG2 ARG 23 far 0 54 0 - 9.6-21.9 Violated in 0 structures by 0.00 A. Peak 3944 from cnoeabs.peaks (8.26, 0.88, 25.36 ppm; 4.35 A increased from 4.10 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 123 + QD2 LEU 123 OK 100 100 100 100 4.1-4.3 7752=89, 3952/2.1=77...(14) Violated in 0 structures by 0.00 A. Peak 3945 from cnoeabs.peaks (3.85, 0.88, 25.36 ppm; 3.99 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 123 + QD2 LEU 123 OK 100 100 100 100 3.5-4.0 3.9=100 HB2 SER 50 + QD2 LEU 123 OK 48 97 50 100 3.9-5.6 3.0/11636=66, ~11339=45...(23) HA LEU 62 - QD2 LEU 123 far 0 100 0 - 7.8-8.5 HB2 SER 130 - QD2 LEU 123 far 0 68 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 3946 from cnoeabs.peaks (1.65, 0.88, 25.36 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 123 + QD2 LEU 123 OK 100 100 100 100 2.3-2.7 3.2=100 HG LEU 119 - QD2 LEU 123 far 0 63 0 - 7.1-8.0 HG LEU 62 - QD2 LEU 123 far 0 100 0 - 7.4-8.0 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 2.1-2.4 3.2=100 HB3 LEU 119 - QD2 LEU 123 far 0 100 0 - 5.1-6.1 HB3 LEU 48 - QD2 LEU 123 far 0 87 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 3948 from cnoeabs.peaks (1.57, 0.88, 25.36 ppm; 3.11 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 123 + QD2 LEU 123 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 119 - QD2 LEU 123 far 0 78 0 - 4.8-5.8 HG LEU 49 - QD2 LEU 123 far 0 100 0 - 7.3-8.0 HB2 LEU 103 - QD2 LEU 123 far 0 97 0 - 9.3-10.7 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): 1 out of 10 assignments used, quality = 1.00: * QD1 LEU 123 + QD2 LEU 123 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 62 - QD2 LEU 123 far 0 93 0 - 4.6-5.6 QG1 VAL 126 - QD2 LEU 123 far 0 60 0 - 5.8-6.3 QD1 LEU 119 - QD2 LEU 123 far 0 93 0 - 5.9-6.7 QD1 LEU 49 - QD2 LEU 123 far 0 92 0 - 6.6-7.4 QG1 VAL 118 - QD2 LEU 123 far 0 63 0 - 7.2-7.9 QG1 VAL 57 - QD2 LEU 123 far 0 81 0 - 8.0-8.4 QD2 LEU 48 - QD2 LEU 123 far 0 85 0 - 8.5-9.0 QG2 VAL 63 - QD2 LEU 123 far 0 89 0 - 8.9-9.8 QD1 LEU 48 - QD2 LEU 123 far 0 100 0 - 9.4-10.0 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 1 assignment used, quality = 1.00: * H SER 124 + QD2 LEU 123 OK 100 100 100 100 3.6-4.2 7766=100, 7765/2.1=91...(14) Violated in 0 structures by 0.00 A. Peak 3952 from cnoeabs.peaks (8.26, 0.93, 23.65 ppm; 4.17 A increased from 3.92 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 123 + QD1 LEU 123 OK 100 100 100 100 4.0-4.2 10512=94, 3944/2.1=68...(12) H LEU 123 - QD1 LEU 49 far 0 53 0 - 6.2-6.8 H ASP 131 - QD1 LEU 123 far 0 97 0 - 7.6-8.2 H LEU 43 - QD1 LEU 49 far 0 27 0 - 8.0-8.7 H LEU 96 - QD1 LEU 49 far 0 44 0 - 8.0-8.6 H ASP 131 - QD1 LEU 49 far 0 48 0 - 8.7-9.3 H LEU 43 - QD2 LEU 48 far 0 21 0 - 8.7-10.6 H LEU 96 - QD1 LEU 123 far 0 92 0 - 9.1-9.7 Violated in 2 structures by 0.00 A. Peak 3953 from cnoeabs.peaks (3.85, 0.93, 23.65 ppm; 3.15 A): 2 out of 14 assignments used, quality = 1.00: * HA LEU 123 + QD1 LEU 123 OK 97 100 100 97 1.9-2.3 4.0=47, 2.9/3952=35...(22) HB2 SER 50 + QD1 LEU 123 OK 89 97 95 97 2.0-3.8 3.0/11874=49...(25) HA LEU 123 - QD1 LEU 49 far 0 53 0 - 4.9-5.8 HB2 SER 50 - QD1 LEU 49 far 0 49 0 - 5.1-6.1 HA LEU 62 - QD1 LEU 49 far 0 53 0 - 5.3-5.8 HA LEU 62 - QD2 LEU 48 far 0 43 0 - 6.2-7.9 HB2 SER 130 - QD1 LEU 49 far 0 29 0 - 6.2-8.6 HB2 SER 130 - QD1 LEU 123 far 0 68 0 - 6.5-8.5 HB2 SER 50 - QD2 LEU 48 far 0 39 0 - 7.0-8.5 HA LEU 62 - QD1 LEU 123 far 0 100 0 - 7.7-8.8 HB2 SER 130 - QD2 LEU 48 far 0 23 0 - 8.5-11.0 HA LEU 123 - QD2 LEU 48 far 0 43 0 - 9.1-9.8 HA GLU 40 - QD2 LEU 48 far 0 41 0 - 9.3-11.5 HD3 PRO 58 - QD2 LEU 48 far 0 21 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 3954 from cnoeabs.peaks (1.65, 0.93, 23.65 ppm; 3.37 A increased from 3.17 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 123 + QD1 LEU 123 OK 100 100 100 100 3.1-3.2 3.2=100 HB2 LEU 69 + QD1 LEU 49 OK 28 39 85 84 3.5-4.0 3.0/3957=14, ~11048=13...(21) HB2 LEU 123 - QD1 LEU 49 far 0 53 0 - 7.0-8.2 HG LEU 62 - QD1 LEU 49 far 0 53 0 - 7.5-7.9 HG LEU 62 - QD2 LEU 48 far 0 43 0 - 7.7-9.6 HG LEU 62 - QD1 LEU 123 far 0 100 0 - 8.2-9.0 HG LEU 119 - QD1 LEU 123 far 0 63 0 - 8.6-9.6 HB2 LEU 69 - QD1 LEU 123 far 0 85 0 - 8.7-9.4 HG LEU 43 - QD1 LEU 49 far 0 51 0 - 8.8-9.7 HB2 LEU 69 - QD2 LEU 48 far 0 31 0 - 9.5-9.8 HG LEU 43 - QD2 LEU 48 far 0 41 0 - 9.9-11.8 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 8 assignments used, quality = 0.99: * HB3 LEU 123 + QD1 LEU 123 OK 98 98 100 100 2.4-2.7 3.2=100 HB3 LEU 48 + QD2 LEU 48 OK 32 32 100 100 3.1-3.2 3.1=100 HB3 LEU 48 + QD1 LEU 49 OK 29 40 100 71 2.4-3.6 3939/2.1=17, 1.8/1501=13...(14) HB3 LEU 123 - QD1 LEU 49 far 0 50 0 - 6.0-7.2 HB3 LEU 119 - QD1 LEU 123 far 0 100 0 - 7.1-8.0 HB3 LEU 48 - QD1 LEU 123 far 0 87 0 - 7.8-8.5 HB3 LEU 123 - QD2 LEU 48 far 0 40 0 - 9.2-10.5 HB2 GLU 40 - QD2 LEU 48 far 0 27 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 3956 from cnoeabs.peaks (1.57, 0.93, 23.65 ppm; 3.04 A): 2 out of 11 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 - QD2 LEU 48 far 0 42 0 - 5.4-6.3 HG LEU 49 - QD1 LEU 123 far 0 100 0 - 6.1-7.0 HB2 LEU 119 - QD1 LEU 123 far 0 78 0 - 6.5-7.5 HG LEU 123 - QD1 LEU 49 far 0 53 0 - 7.9-8.8 HB3 LEU 42 - QD1 LEU 49 far 0 34 0 - 8.0-8.7 HB2 LEU 119 - QD1 LEU 49 far 0 35 0 - 8.8-9.3 HB2 LEU 103 - QD1 LEU 49 far 0 49 0 - 8.9-9.8 HG LEU 103 - QD1 LEU 49 far 0 48 0 - 9.0-10.3 HB2 LEU 103 - QD1 LEU 123 far 0 97 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 3957 from cnoeabs.peaks (0.88, 0.93, 23.65 ppm; 2.50 A): 2 out of 24 assignments used, quality = 1.00: * QD2 LEU 123 + QD1 LEU 123 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 69 + QD1 LEU 49 OK 28 44 100 64 1.7-1.8 11061/2.1=12...(16) QD1 LEU 49 - QD2 LEU 48 far 0 21 0 - 4.7-5.4 QD2 LEU 48 - QD1 LEU 49 far 0 32 0 - 4.7-5.4 QD2 LEU 70 - QD1 LEU 49 far 0 27 0 - 4.8-5.6 QD1 LEU 49 - QD1 LEU 123 far 0 63 0 - 5.0-6.1 QD2 LEU 69 - QD2 LEU 48 far 0 35 0 - 5.3-5.9 QD1 LEU 62 - QD1 LEU 123 far 0 60 0 - 5.6-6.6 QG2 VAL 57 - QD2 LEU 48 far 0 28 0 - 6.1-7.4 QD1 LEU 62 - QD1 LEU 49 far 0 25 0 - 6.2-6.7 QD2 LEU 69 - QD1 LEU 123 far 0 92 0 - 6.5-7.1 QD2 LEU 123 - QD1 LEU 49 far 0 53 0 - 6.6-7.4 QG2 VAL 63 - QD1 LEU 49 far 0 29 0 - 7.0-7.7 QG2 VAL 57 - QD1 LEU 123 far 0 78 0 - 7.0-7.8 QG2 VAL 57 - QD1 LEU 49 far 0 35 0 - 7.2-7.7 QG1 VAL 118 - QD1 LEU 49 far 0 44 0 - 7.5-8.3 QG1 VAL 118 - QD1 LEU 123 far 0 92 0 - 7.8-8.5 QD2 LEU 48 - QD1 LEU 123 far 0 73 0 - 7.9-8.4 QD2 LEU 70 - QD1 LEU 123 far 0 63 0 - 8.5-9.3 QD2 LEU 123 - QD2 LEU 48 far 0 43 0 - 8.5-9.0 QG2 VAL 63 - QD2 LEU 48 far 0 23 0 - 9.0-10.5 QG2 VAL 63 - QD1 LEU 123 far 0 68 0 - 9.2-10.2 QD2 LEU 98 - QD1 LEU 49 far 0 50 0 - 9.6-11.5 QD2 LEU 70 - QD2 LEU 48 far 0 21 0 - 10.0-10.5 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): 1 out of 4 assignments used, quality = 1.00: * H SER 124 + QD1 LEU 123 OK 100 100 100 100 3.3-3.6 7767=100, 7765/2.1=83...(20) H ASP 64 - QD1 LEU 49 far 0 46 0 - 7.0-7.8 H SER 124 - QD1 LEU 49 far 0 53 0 - 7.7-8.4 H ASP 64 - QD2 LEU 48 far 0 37 0 - 8.1-10.0 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 2.8-2.8 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): 2 out of 8 assignments used, quality = 1.00: * HB2 SER 124 + HA SER 124 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 SER 94 + HA SER 94 OK 68 68 100 100 2.4-3.0 3.0=100 HA LYS 95 - HA SER 94 far 0 66 0 - 4.7-4.7 HA GLN 127 - HA SER 124 far 0 68 0 - 5.7-6.0 HA SER 50 - HA SER 124 far 0 100 0 - 6.1-7.2 HA GLU 91 - HA SER 94 far 0 84 0 - 6.1-6.4 HB3 SER 99 - HA SER 94 far 0 91 0 - 9.5-10.5 HB3 SER 99 - HA SER 124 far 0 97 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 3963 from cnoeabs.peaks (4.03, 4.24, 61.64 ppm; 3.78 A): 1 out of 11 assignments used, quality = 1.00: * HB3 SER 124 + HA SER 124 OK 100 100 100 100 2.3-2.7 3.0=100 HA LYS 95 - HA SER 94 far 0 91 0 - 4.7-4.7 HA LEU 96 - HA SER 94 far 0 89 0 - 6.6-6.8 HA LEU 122 - HA SER 124 far 0 83 0 - 6.7-6.9 HA ALA 92 - HA SER 94 far 0 79 0 - 6.7-7.0 HA LEU 96 - HA SER 124 far 0 96 0 - 7.9-8.8 HA ALA 92 - HA SER 124 far 0 87 0 - 8.3-9.4 HA LEU 122 - HA SER 94 far 0 75 0 - 8.6-9.6 HB3 SER 99 - HA SER 94 far 0 66 0 - 9.5-10.5 HA LEU 119 - HA SER 124 far 0 100 0 - 9.6-10.2 HB3 SER 99 - HA SER 124 far 0 73 0 - 9.9-10.8 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 3.5-3.5 3.6=100 H SER 130 - HA SER 124 far 0 99 0 - 8.0-8.9 H ALA 16 - HA SER 94 far 0 87 0 - 9.0-42.3 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 2 assignments used, quality = 0.99: * H GLN 127 + HA SER 124 OK 99 100 100 99 3.9-4.2 7814/4049=59, 7804=59...(10) H LEU 122 - HA SER 124 far 0 93 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 3966 from cnoeabs.peaks (2.06, 4.24, 61.64 ppm; 4.75 A increased from 4.22 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 127 + HA SER 124 OK 100 100 100 100 3.8-4.7 1.8/4049=91, 4039=88...(10) HB2 GLU 128 + HA SER 124 OK 59 73 95 85 4.5-5.4 3.6/7838=47, 3986/4.9=40...(6) QE MET 11 - HA SER 124 far 0 90 0 - 5.8-43.9 QE MET 11 - HA SER 94 far 0 83 0 - 6.2-33.0 HB3 GLU 91 - HA SER 94 far 0 66 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. Peak 3967 from cnoeabs.peaks (2.23, 4.24, 61.64 ppm; 4.10 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLN 127 + HA SER 124 OK 100 100 100 100 2.9-4.0 4049=97, 1.8/3966=55...(12) HB3 GLU 97 + HA SER 94 OK 63 91 70 98 4.5-4.9 2.9/11457=62...(10) HB3 GLU 128 - HA SER 124 far 0 100 0 - 5.1-6.1 HB3 LEU 96 - HA SER 94 far 0 91 0 - 5.5-5.7 HB3 LEU 96 - HA SER 124 far 0 97 0 - 8.3-9.4 HG2 GLU 91 - HA SER 94 far 0 96 0 - 8.4-10.0 HB2 GLN 101 - HA SER 94 far 0 75 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 3968 from cnoeabs.peaks (4.49, 4.00, 62.56 ppm; 4.35 A): 1 out of 4 assignments used, quality = 0.95: * HA ASN 121 + HB2 SER 124 OK 95 100 100 95 3.7-4.6 3837=74, 7758/7769=54...(4) HB THR 54 - HA SER 50 far 0 73 0 - 5.3-7.4 HB THR 54 - HB3 SER 51 far 0 50 0 - 6.8-7.4 HA ASN 121 - HA SER 50 far 0 100 0 - 9.2-10.6 Violated in 2 structures by 0.02 A. Peak 3969 from cnoeabs.peaks (7.95, 4.00, 62.56 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * H SER 124 + HB2 SER 124 OK 100 100 100 100 2.9-3.6 4.0=100 H SER 124 - HA SER 50 far 0 100 0 - 5.5-6.7 H THR 18 - HA VAL 20 far 0 56 0 - 6.2-7.8 Violated in 0 structures by 0.00 A. Peak 3970 from cnoeabs.peaks (4.24, 4.00, 62.56 ppm; 3.68 A): 2 out of 11 assignments used, quality = 1.00: * HA SER 124 + HB2 SER 124 OK 100 100 100 100 2.6-3.0 3.0=100 HA SER 51 + HB3 SER 51 OK 50 50 100 100 2.4-2.7 2.9=100 HA LYS 19 - HA VAL 20 far 0 58 0 - 4.6-4.8 HA SER 51 - HA SER 50 far 0 73 0 - 4.7-4.8 HA LEU 22 - HA VAL 20 far 0 56 0 - 5.7-6.5 HA SER 124 - HA SER 50 far 0 100 0 - 6.1-7.2 HA LYS 26 - HA VAL 20 far 0 53 0 - 7.4-12.6 HA GLN 27 - HA VAL 20 far 0 92 0 - 7.5-15.9 HA GLU 30 - HA VAL 20 far 0 81 0 - 9.0-22.5 HA ALA 28 - HA VAL 20 far 0 92 0 - 9.9-18.7 HA PHE 87 - HA VAL 20 far 0 63 0 - 9.9-35.0 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 11 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 - 5.6-7.0 HA LEU 96 - HB2 SER 124 far 0 96 0 - 6.6-8.2 HA ALA 92 - HB2 SER 124 far 0 87 0 - 6.9-8.2 HB3 SER 124 - HA SER 50 far 0 100 0 - 7.3-8.6 HA LEU 122 - HA SER 50 far 0 82 0 - 7.7-9.2 HA GLU 44 - HB3 SER 51 far 0 59 0 - 7.9-9.9 HA LEU 119 - HA SER 50 far 0 100 0 - 7.9-9.0 HB3 SER 99 - HB2 SER 124 far 0 73 0 - 8.0-9.8 HA LYS 95 - HB2 SER 124 far 0 97 0 - 8.8-9.9 HA LEU 119 - HB2 SER 124 far 0 100 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 3973 from cnoeabs.peaks (8.04, 4.00, 62.56 ppm; 3.77 A): 3 out of 11 assignments used, quality = 1.00: * H CYS 125 + HB2 SER 124 OK 99 100 100 99 2.8-3.6 7780=73, 3.4/7769=55...(8) 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 98 2.9-3.7 1620/1.8=60, 4.6=54...(13) H ALA 52 - HA SER 50 far 0 91 0 - 4.5-5.1 H LEU 48 - HB3 SER 51 far 0 77 0 - 4.7-6.3 H CYS 125 - HA SER 50 far 0 100 0 - 6.8-7.8 H LEU 48 - HA SER 50 far 0 100 0 - 7.1-7.3 H ALA 16 - HA VAL 20 far 0 84 0 - 7.7-12.7 H CYS 79 - HA VAL 20 far 0 93 0 - 8.4-27.6 H SER 130 - HA SER 50 far 0 98 0 - 8.8-9.5 H SER 130 - HB2 SER 124 far 0 99 0 - 9.5-10.4 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 = 0.95: * HA ASN 121 + HB3 SER 124 OK 95 100 100 95 3.9-4.4 3837/1.8=58, 3838=55...(6) HB THR 54 - HB3 SER 124 far 0 73 0 - 9.6-12.8 Violated in 2 structures by 0.01 A. Peak 3975 from cnoeabs.peaks (7.95, 4.03, 62.56 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * H SER 124 + HB3 SER 124 OK 100 100 100 100 2.1-2.8 7770=100, 7769/1.8=76...(13) 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 1 assignment used, quality = 1.00: * HA SER 124 + HB3 SER 124 OK 100 100 100 100 2.3-2.7 3.0=100 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 4 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 - 7.3-8.6 HA GLN 127 - HB3 SER 124 far 0 68 0 - 8.2-8.4 HB3 SER 99 - HB3 SER 124 far 0 97 0 - 8.4-9.8 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 1 assignment used, quality = 1.00: * H CYS 125 + HB3 SER 124 OK 100 100 100 100 3.6-4.1 4.5=76, 7780/1.8=75...(11) Violated in 1 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 2.9-2.9 2.9=100 H SER 130 - HA CYS 125 far 0 99 0 - 6.3-7.5 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 1 assignment used, quality = 1.00: * HB2 CYS 125 + HA CYS 125 OK 100 100 100 100 2.6-3.0 3.0=100 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 3 assignments used, quality = 1.00: * HB3 CYS 125 + HA CYS 125 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 HIS 8 - HA CYS 125 far 0 100 0 - 7.6-50.6 HB2 HIS 5 - HA CYS 125 far 0 65 0 - 9.0-58.0 Violated in 0 structures by 0.00 A. Peak 3984 from cnoeabs.peaks (8.29, 4.35, 62.64 ppm; 4.26 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 126 + HA CYS 125 OK 100 100 100 100 3.6-3.6 3.6=100 H LEU 96 - HA CYS 125 far 0 90 0 - 5.2-5.8 H ASP 131 - HA CYS 125 far 0 83 0 - 7.6-8.3 H SER 99 - HA CYS 125 far 0 100 0 - 8.5-9.2 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 1 assignment used, quality = 1.00: * H GLU 128 + HA CYS 125 OK 100 100 100 100 3.4-3.7 7839=100, 3.6/3986=68...(21) Violated in 0 structures by 0.00 A. Peak 3986 from cnoeabs.peaks (2.08, 4.35, 62.64 ppm; 4.02 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 128 + HA CYS 125 OK 100 100 100 100 2.5-3.2 4087=93, 1.8/3987=68...(14) HB VAL 126 - HA CYS 125 far 0 73 0 - 5.7-5.8 HB2 GLN 127 - HA CYS 125 far 0 73 0 - 6.0-7.3 HG3 GLU 91 - HA CYS 125 far 0 63 0 - 7.0-9.9 Violated in 0 structures by 0.00 A. Peak 3987 from cnoeabs.peaks (2.22, 4.35, 62.64 ppm; 4.31 A increased from 4.06 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 128 + HA CYS 125 OK 100 100 100 100 4.1-4.6 1.8/3986=89, 4095=89...(17) HB3 LEU 96 - HA CYS 125 poor 19 97 20 - 4.5-5.5 HB3 GLN 127 - HA CYS 125 far 0 100 0 - 5.3-6.6 HG2 GLU 91 - HA CYS 125 far 0 100 0 - 7.7-10.1 Violated in 2 structures by 0.03 A. Peak 3988 from cnoeabs.peaks (4.05, 2.74, 27.12 ppm; 4.22 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 122 + HB2 CYS 125 OK 98 100 100 98 2.2-3.6 3994/1.8=44, 3864=32...(20) HA LEU 96 + HB2 CYS 125 OK 98 99 100 100 2.4-3.4 3.0/11655=54...(25) HA ALA 92 - HB2 CYS 125 far 0 100 0 - 5.1-5.8 HB3 SER 124 - HB2 CYS 125 far 0 83 0 - 5.3-7.0 HA LEU 119 - HB2 CYS 125 far 0 73 0 - 8.5-10.1 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 2.1-3.6 3.9=100 H SER 130 - HB2 CYS 125 far 0 99 0 - 6.8-8.8 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 2.6-3.0 3.0=100 HA LEU 69 - HB2 CYS 125 far 0 73 0 - 9.3-11.0 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 6 assignments used, quality = 1.00: * H VAL 126 + HB2 CYS 125 OK 100 100 100 100 2.4-3.2 4.7=100 H LEU 96 + HB2 CYS 125 OK 90 90 100 99 2.9-4.6 3.8/11655=57...(17) H SER 99 - HB2 CYS 125 far 0 100 0 - 6.1-6.9 H ASP 131 - HB2 CYS 125 far 0 83 0 - 8.9-10.5 H LEU 69 - HB2 CYS 125 far 0 99 0 - 9.5-11.0 H LEU 49 - HB2 CYS 125 far 0 96 0 - 9.9-10.7 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 5 assignments used, quality = 1.00: HA LEU 96 + HB3 CYS 125 OK 98 99 100 100 2.6-3.5 4.0/9987=47...(23) * HA LEU 122 + HB3 CYS 125 OK 98 100 100 98 2.2-3.8 3988/1.8=43, 3865=36...(18) HA ALA 92 + HB3 CYS 125 OK 44 100 45 98 4.3-6.7 ~11396=42, 11395/1.8=35...(16) HB3 SER 124 - HB3 CYS 125 far 0 83 0 - 5.4-7.3 HA LEU 119 - HB3 CYS 125 far 0 73 0 - 8.2-10.3 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 2.1-3.6 3.9=100 H SER 130 - HB3 CYS 125 far 0 99 0 - 6.9-8.8 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 2.6-3.0 3.0=100 HA LEU 69 - HB3 CYS 125 far 0 73 0 - 9.4-10.6 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 - 8.4-10.1 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 6 assignments used, quality = 1.00: * H VAL 126 + HB3 CYS 125 OK 100 100 100 100 2.4-3.1 7795=91, 7792/7784=68...(19) H LEU 96 + HB3 CYS 125 OK 90 90 100 100 3.0-4.4 3.8/11659=48...(23) H SER 99 - HB3 CYS 125 far 0 100 0 - 6.1-7.2 H ASP 131 - HB3 CYS 125 far 0 83 0 - 8.9-10.4 H LEU 69 - HB3 CYS 125 far 0 99 0 - 9.6-10.4 H LEU 49 - HB3 CYS 125 far 0 96 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 4000 from cnoeabs.peaks (8.29, 3.43, 67.09 ppm; 4.32 A): 1 out of 7 assignments used, quality = 1.00: * H VAL 126 + HA VAL 126 OK 100 100 100 100 2.8-2.8 2.9=100 H LEU 96 - HA VAL 126 far 0 90 0 - 6.0-6.7 H ASP 131 - HA VAL 126 far 0 83 0 - 6.4-7.0 H LEU 49 - HA VAL 126 far 0 96 0 - 7.2-7.5 H LEU 69 - HA VAL 126 far 0 99 0 - 7.4-7.9 H SER 99 - HA VAL 126 far 0 100 0 - 9.4-10.2 H LEU 43 - HA VAL 126 far 0 100 0 - 9.8-10.2 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 3.0-3.0 3.0=100 HB2 GLU 128 - HA VAL 126 far 4 73 5 - 5.0-5.7 HG3 GLU 91 - HA VAL 126 far 0 100 0 - 9.2-12.6 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 4 assignments used, quality = 1.00: * QG1 VAL 126 + HA VAL 126 OK 100 100 100 100 2.4-2.5 3.2=100 QG2 VAL 126 + HA VAL 126 OK 99 99 100 100 2.1-2.3 3.2=100 QD1 LEU 123 - HA VAL 126 far 0 60 0 - 5.7-6.1 QD2 LEU 53 - HA VAL 126 far 0 97 0 - 7.5-9.4 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 3 assignments used, quality = 1.00: * QG2 VAL 126 + HA VAL 126 OK 100 100 100 100 2.1-2.3 3.2=100 QG1 VAL 126 + HA VAL 126 OK 99 99 100 100 2.4-2.5 3.2=100 QD2 LEU 53 - HA VAL 126 far 0 100 0 - 7.5-9.4 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 - 7.8-8.4 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 3 assignments used, quality = 1.00: * H ILE 129 + HA VAL 126 OK 100 100 100 100 3.2-3.7 7873/10402=66...(19) H SER 94 - HA VAL 126 far 0 97 0 - 8.4-8.9 H SER 51 - HA VAL 126 far 0 85 0 - 9.0-9.8 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 2 assignments used, quality = 1.00: * HB ILE 129 + HA VAL 126 OK 100 100 100 100 3.0-3.9 3.2/10402=66...(24) HB3 LEU 53 - HA VAL 126 far 0 98 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 4008 from cnoeabs.peaks (3.85, 2.10, 31.38 ppm; 4.22 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 123 + HB VAL 126 OK 99 100 100 99 2.7-3.0 3917=88, 3916/7797=45...(15) HB2 SER 50 + HB VAL 126 OK 59 97 70 87 4.2-5.9 3.0/11668=46...(11) HB2 SER 130 - HB VAL 126 far 0 68 0 - 5.9-9.1 HA LEU 62 - HB VAL 126 far 0 100 0 - 8.3-9.1 Violated in 0 structures by 0.00 A. Peak 4009 from cnoeabs.peaks (8.29, 2.10, 31.38 ppm; 4.00 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 126 + HB VAL 126 OK 100 100 100 100 2.3-2.5 3.7=100 H LEU 49 - HB VAL 126 far 0 96 0 - 5.2-5.7 H LEU 69 - HB VAL 126 far 0 99 0 - 7.5-8.3 H LEU 96 - HB VAL 126 far 0 90 0 - 7.6-8.1 H ASP 131 - HB VAL 126 far 0 83 0 - 8.1-8.6 H SER 99 - HB VAL 126 far 0 100 0 - 9.5-10.2 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 2 assignments used, quality = 1.00: * HA VAL 126 + HB VAL 126 OK 100 100 100 100 3.0-3.0 3.0=100 HA ILE 129 - HB VAL 126 far 0 63 0 - 7.9-8.4 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 4 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 6 60 10 - 3.5-4.2 QD2 LEU 53 - HB VAL 126 far 0 97 0 - 5.1-7.1 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 3 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 QD2 LEU 53 - HB VAL 126 far 0 100 0 - 5.1-7.1 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 2 assignments used, quality = 1.00: * H GLN 127 + HB VAL 126 OK 100 100 100 100 2.5-2.9 7809=100, 4026/2.1=78...(21) H LEU 122 - HB VAL 126 far 0 93 0 - 6.2-6.9 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 3.7-3.8 4.0=85, 4021/2.1=81...(14) H LEU 49 + QG1 VAL 126 OK 85 96 100 89 3.3-3.7 3.2/11785=53...(10) H LEU 69 - QG1 VAL 126 far 0 99 0 - 5.1-5.8 H ASP 131 - QG1 VAL 126 far 0 83 0 - 5.9-6.4 H LEU 96 - QG1 VAL 126 far 0 90 0 - 7.3-7.8 H LEU 43 - QG1 VAL 126 far 0 100 0 - 7.3-7.8 H SER 99 - QG1 VAL 126 far 0 100 0 - 9.3-9.9 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 3 assignments used, quality = 1.00: * HA VAL 126 + QG1 VAL 126 OK 100 100 100 100 2.4-2.5 3.2=100 HA ILE 129 - QG1 VAL 126 far 0 63 0 - 5.8-6.6 HB3 HIS 67 - QG1 VAL 126 far 0 63 0 - 8.8-9.7 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 4 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 - 6.0-6.4 HB3 GLU 44 - QG1 VAL 126 far 0 65 0 - 7.9-9.0 HG3 GLN 134 - QG1 VAL 126 far 0 76 0 - 8.5-9.8 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): 1 out of 3 assignments used, quality = 1.00: * H GLN 127 + QG1 VAL 126 OK 100 100 100 100 3.1-3.5 4.3=85, 7809/2.1=79...(19) H LEU 122 - QG1 VAL 126 far 0 93 0 - 7.0-7.6 H VAL 63 - QG1 VAL 126 far 0 100 0 - 9.3-9.6 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 = 0.99: * H VAL 126 + QG2 VAL 126 OK 99 100 100 99 2.2-2.6 4.0=57, 7797/2.1=56...(20) H LEU 69 - QG2 VAL 126 far 0 99 0 - 4.5-5.1 H LEU 49 - QG2 VAL 126 far 0 96 0 - 4.7-4.9 H LEU 96 - QG2 VAL 126 far 0 90 0 - 5.0-5.5 H SER 99 - QG2 VAL 126 far 0 100 0 - 6.7-7.3 H ASP 131 - QG2 VAL 126 far 0 83 0 - 7.6-8.1 H LEU 43 - QG2 VAL 126 far 0 100 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 4022 from cnoeabs.peaks (3.43, 0.96, 23.84 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 126 + QG2 VAL 126 OK 100 100 100 100 2.1-2.3 3.2=100 HA ILE 129 - QG2 VAL 126 far 0 63 0 - 6.4-7.0 HB3 HIS 67 - QG2 VAL 126 far 0 63 0 - 7.5-8.5 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 5 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 - 6.1-6.6 HG3 GLU 91 - QG2 VAL 126 far 0 100 0 - 9.4-12.1 HB3 GLU 44 - QG2 VAL 126 far 0 65 0 - 9.7-10.9 HB2 GLU 102 - QG2 VAL 126 far 0 76 0 - 9.9-12.0 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): 1 out of 3 assignments used, quality = 1.00: * H GLN 127 + QG2 VAL 126 OK 100 100 100 100 3.9-4.1 4.4=83, 7809/2.1=79...(22) H LEU 122 - QG2 VAL 126 far 0 93 0 - 4.8-5.4 H VAL 63 - QG2 VAL 126 far 0 100 0 - 8.0-8.5 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 - 9.9-10.5 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 7 assignments used, quality = 1.00: * HB2 GLN 127 + HA GLN 127 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 GLU 91 + HA GLU 91 OK 48 48 100 100 2.3-2.4 3.0=100 HB2 GLU 128 - HA GLN 127 far 0 73 0 - 5.5-5.6 QE MET 11 - HA GLU 91 far 0 63 0 - 6.8-36.1 HG3 GLN 134 - HA GLN 127 far 0 71 0 - 7.8-10.0 QE MET 11 - HA GLN 127 far 0 90 0 - 8.9-42.8 HB2 GLU 128 - HA GLU 91 far 0 48 0 - 9.1-10.6 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 6 assignments used, quality = 1.00: * HB3 GLN 127 + HA GLN 127 OK 100 100 100 100 2.5-2.9 3.0=100 HG2 GLU 91 + HA GLU 91 OK 76 76 100 100 2.7-4.2 3.9=95, 1.8/2884=73...(15) HB3 GLU 128 - HA GLN 127 far 0 100 0 - 6.1-6.5 HB3 LEU 96 - HA GLU 91 far 0 71 0 - 8.2-8.7 HB3 LEU 96 - HA GLN 127 far 0 97 0 - 8.7-9.3 HB3 GLU 128 - HA GLU 91 far 0 76 0 - 9.8-10.6 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 5 assignments used, quality = 1.00: * HG2 GLN 127 + HA GLN 127 OK 100 100 100 100 2.0-3.6 3.8=100 HG2 GLU 128 - HA GLN 127 far 0 83 0 - 6.9-7.7 HG2 GLU 128 - HA GLU 91 far 0 56 0 - 7.4-8.8 HB3 GLN 134 - HA GLN 127 far 0 71 0 - 8.9-11.0 HB VAL 77 - HA GLU 91 far 0 56 0 - 8.9-9.6 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 2 assignments used, quality = 1.00: * HG3 GLN 127 + HA GLN 127 OK 100 100 100 100 3.2-4.1 3.8=100 HG2 MET 11 - HA GLU 91 far 0 54 0 - 7.2-41.0 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 3.4-3.5 3.6=100 H ALA 88 - HA GLU 91 far 0 42 0 - 6.9-7.3 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 5 assignments used, quality = 1.00: * H SER 130 + HA GLN 127 OK 100 100 100 100 3.8-4.1 7878=92, 3.9/4181=57...(10) H CYS 125 - HA GLN 127 far 0 99 0 - 6.5-6.7 H LEU 48 - HA GLN 127 far 0 97 0 - 7.0-8.1 H ALA 16 - HA GLU 91 far 0 75 0 - 8.7-45.3 H ALA 52 - HA GLN 127 far 0 99 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 4037 from cnoeabs.peaks (3.82, 3.97, 58.71 ppm; 4.23 A): 2 out of 6 assignments used, quality = 0.90: HB2 SER 50 + HA GLN 127 OK 84 90 100 93 2.9-4.6 4175=51, 1.8/2858=25...(15) * HB2 SER 130 + HA GLN 127 OK 39 100 40 96 3.1-5.5 1.8/4181=84...(8) HA ARG 90 - HA GLU 91 far 0 41 0 - 4.8-4.9 HA LEU 123 - HA GLN 127 far 0 68 0 - 5.2-5.9 HB2 SER 9 - HA GLU 91 far 0 60 0 - 5.3-46.3 HB3 SER 9 - HA GLU 91 far 0 61 0 - 5.5-45.4 Violated in 1 structures by 0.00 A. Peak 4038 from cnoeabs.peaks (3.77, 3.97, 58.71 ppm; 4.27 A): 2 out of 5 assignments used, quality = 1.00: * HB3 SER 130 + HA GLN 127 OK 100 100 100 100 3.3-3.9 4181=100, 3.9/4036=50...(7) HA ARG 90 + HA GLU 91 OK 35 56 65 97 4.8-4.9 4.8=70, ~7223=35...(10) HB2 SER 9 - HA GLU 91 far 0 37 0 - 5.3-46.3 HA SER 130 - HA GLN 127 far 0 99 0 - 5.7-6.3 HA LEU 43 - HA GLN 127 far 0 99 0 - 6.8-7.5 Violated in 0 structures by 0.00 A. Peak 4039 from cnoeabs.peaks (4.24, 2.06, 27.80 ppm; 4.96 A increased from 4.66 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 124 + HB2 GLN 127 OK 100 100 100 100 3.8-4.7 3966=100, 4049/1.8=95...(9) HA SER 51 - HB2 GLN 127 far 0 73 0 - 7.7-10.4 Violated in 0 structures by 0.00 A. Peak 4040 from cnoeabs.peaks (8.20, 2.06, 27.80 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 127 + HB2 GLN 127 OK 100 100 100 100 3.3-3.6 7813=100, 7814/1.8=82...(21) H VAL 63 - HG3 PRO 58 far 0 76 0 - 7.8-8.0 H LEU 122 - HB2 GLN 127 far 0 93 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 4041 from cnoeabs.peaks (3.97, 2.06, 27.80 ppm; 3.94 A): 1 out of 9 assignments used, quality = 1.00: * HA GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.3-2.8 3.0=100 HA SER 50 - HB2 GLN 127 far 0 65 0 - 4.8-6.5 HA3 GLY 111 - HG3 PRO 58 far 0 49 0 - 5.3-6.2 HB2 SER 124 - HB2 GLN 127 far 0 68 0 - 6.3-7.5 HB3 SER 51 - HB2 GLN 127 far 0 96 0 - 8.0-11.8 HA3 GLY 111 - HG3 PRO 113 far 0 42 0 - 8.4-8.9 HB3 SER 107 - HG3 PRO 58 far 0 73 0 - 8.8-12.0 HB2 SER 51 - HB2 GLN 127 far 0 65 0 - 9.2-11.9 HD3 PRO 117 - HG3 PRO 113 far 0 54 0 - 9.8-12.0 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): 1 out of 3 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 far 0 100 0 - 4.9-6.4 HB3 LEU 96 - HB2 GLN 127 far 0 97 0 - 9.5-10.6 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 3 assignments used, quality = 1.00: * HG2 GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.3-2.8 3.0=100 HG2 GLU 128 - HB2 GLN 127 far 0 83 0 - 6.7-8.1 HB3 GLN 134 - HB2 GLN 127 far 0 71 0 - 9.7-11.9 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 1 assignment used, quality = 1.00: * HG3 GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.7-2.9 3.0=100 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 1 assignment used, quality = 1.00: * HE21 GLN 127 + HB2 GLN 127 OK 100 100 100 100 3.3-5.0 4.5=100 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 1 assignment used, quality = 1.00: * HE22 GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.2-4.1 4.5=100 Violated in 0 structures by 0.00 A. Peak 4048 from cnoeabs.peaks (7.88, 2.06, 27.80 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + HB2 GLN 127 OK 100 100 100 100 3.2-4.2 4058/1.8=76, 4.7=74...(20) H THR 115 - HG3 PRO 113 poor 10 51 20 - 2.5-5.5 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 = 0.99: * HA SER 124 + HB3 GLN 127 OK 99 100 100 99 2.9-4.0 3966/1.8=66, 3967=61...(12) HA SER 51 - HB3 GLN 127 far 0 73 0 - 7.3-9.8 Violated in 0 structures by 0.00 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 2.1-2.5 7814=100, 7813/1.8=78...(22) H LEU 122 - HB3 GLN 127 far 0 93 0 - 8.3-8.7 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 2.5-2.9 3.0=100 HA SER 50 + HB3 GLN 127 OK 24 65 40 91 3.5-5.5 11874/11674=25, ~4037=16...(24) HB2 SER 124 - HB3 GLN 127 far 0 68 0 - 5.5-6.7 HB3 SER 51 - HB3 GLN 127 far 0 96 0 - 7.7-11.1 HB2 SER 51 - HB3 GLN 127 far 0 65 0 - 8.6-11.2 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 4 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 0 73 0 - 4.8-5.9 QE MET 11 - HB3 GLN 127 far 0 90 0 - 7.5-43.7 HG3 GLN 134 - HB3 GLN 127 far 0 71 0 - 9.9-12.6 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 2.8-2.9 3.0=100 HG2 GLU 128 - HB3 GLN 127 far 0 83 0 - 6.8-8.3 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 2.2-2.3 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 1 assignment used, quality = 1.00: * HE21 GLN 127 + HB3 GLN 127 OK 100 100 100 100 4.1-4.9 4.5=100 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 1 assignment used, quality = 1.00: * HE22 GLN 127 + HB3 GLN 127 OK 100 100 100 100 2.6-4.0 4.5=100 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 3.2-4.0 4048/1.8=78, 4.7=77...(22) Violated in 0 structures by 0.00 A. Peak 4059 from cnoeabs.peaks (8.20, 2.35, 33.92 ppm; 3.94 A increased from 3.71 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + HG2 GLN 127 OK 100 100 100 100 2.7-4.4 7815=85, 4068/1.8=80...(20) H LEU 122 - HG2 GLN 127 far 0 93 0 - 8.8-10.9 Violated in 1 structures by 0.02 A. Peak 4060 from cnoeabs.peaks (3.97, 2.35, 33.92 ppm; 3.74 A increased from 3.52 A): 2 out of 9 assignments used, quality = 1.00: * HA GLN 127 + HG2 GLN 127 OK 100 100 100 100 2.0-3.6 3.8=98, 3.0/4062=71...(16) HA SER 50 + HG2 GLN 127 OK 23 65 40 87 3.8-6.6 11874/11579=48...(13) HA VAL 20 - HG3 GLN 27 far 0 61 0 - 4.8-16.0 HB2 SER 124 - HG2 GLN 127 far 0 68 0 - 4.8-8.7 HA VAL 20 - HG2 GLN 27 far 0 62 0 - 5.6-17.0 HB3 SER 51 - HG2 GLN 127 far 0 96 0 - 7.3-10.9 HB2 SER 51 - HG2 GLN 127 far 0 65 0 - 7.8-11.8 HA2 GLY 17 - HG3 GLN 27 far 0 81 0 - 9.5-23.7 HA3 GLY 17 - HG3 GLN 27 far 0 81 0 - 9.9-22.9 Violated in 0 structures by 0.00 A. Peak 4061 from cnoeabs.peaks (2.06, 2.35, 33.92 ppm; 3.15 A): 3 out of 8 assignments used, quality = 1.00: * HB2 GLN 127 + HG2 GLN 127 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 GLN 27 + HG2 GLN 27 OK 85 85 100 100 2.4-3.0 3.0=100 HB3 GLN 27 + HG3 GLN 27 OK 83 83 100 100 2.2-3.0 3.0=100 HB2 GLU 128 - HG2 GLN 127 poor 12 73 40 42 3.0-7.2 3.6/7846=14, 3.0/4081=10...(9) QE MET 11 - HG2 GLN 27 far 0 72 0 - 7.4-32.5 QE MET 11 - HG3 GLN 27 far 0 70 0 - 8.8-32.6 HG3 GLN 134 - HG2 GLN 127 far 0 71 0 - 9.0-11.0 QE MET 11 - HG2 GLN 127 far 0 90 0 - 9.7-43.4 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 3 assignments used, quality = 1.00: * HB3 GLN 127 + HG2 GLN 127 OK 100 100 100 100 2.8-2.9 3.0=100 HB3 GLU 128 - HG2 GLN 127 poor 18 100 35 51 3.6-7.9 3.6/7846=19, 3.0/4081=13...(8) HB3 LEU 96 - HG2 GLN 127 far 0 97 0 - 8.3-11.4 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 4 assignments used, quality = 1.00: * HG3 GLN 127 + HG2 GLN 127 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASP 78 - HG3 GLN 27 far 0 53 0 - 8.5-17.7 HB2 ASP 78 - HG2 GLN 27 far 0 54 0 - 9.1-16.4 HG2 MET 11 - HG2 GLN 27 far 0 62 0 - 9.9-38.3 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 1 assignment used, quality = 1.00: * HE21 GLN 127 + HG2 GLN 127 OK 100 100 100 100 3.9-4.1 3.5=100 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 1 assignment used, quality = 1.00: * HE22 GLN 127 + HG2 GLN 127 OK 100 100 100 100 3.1-3.6 3.5=100 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 1 assignment used, quality = 1.00: * H GLU 128 + HG2 GLN 127 OK 100 100 100 100 2.1-5.3 4076/1.8=100...(22) 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 2.9-3.8 7816=79, 4059/1.8=69...(22) H LEU 122 - HG3 GLN 127 far 0 93 0 - 7.9-9.4 Violated in 1 structures by 0.00 A. Peak 4069 from cnoeabs.peaks (3.97, 2.49, 33.92 ppm; 4.14 A increased from 3.68 A): 3 out of 5 assignments used, quality = 1.00: * HA GLN 127 + HG3 GLN 127 OK 100 100 100 100 3.2-4.1 3.8=100 HA SER 50 + HG3 GLN 127 OK 37 65 60 93 2.9-5.4 11874/10437=59...(13) HB2 SER 124 + HG3 GLN 127 OK 23 68 35 96 4.4-7.6 3.0/11607=46, ~4049=28...(17) HB3 SER 51 - HG3 GLN 127 far 0 96 0 - 7.5-10.3 HB2 SER 51 - HG3 GLN 127 far 0 65 0 - 7.9-11.1 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 3 assignments used, quality = 1.00: * HB2 GLN 127 + HG3 GLN 127 OK 100 100 100 100 2.7-2.9 3.0=100 HB2 GLU 128 - HG3 GLN 127 far 0 73 0 - 4.5-7.2 QE MET 11 - HG3 GLN 127 far 0 90 0 - 9.3-44.0 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 3 assignments used, quality = 1.00: * HB3 GLN 127 + HG3 GLN 127 OK 100 100 100 100 2.2-2.3 3.0=100 HB3 GLU 128 - HG3 GLN 127 far 0 100 0 - 5.1-8.1 HB3 LEU 96 - HG3 GLN 127 far 0 97 0 - 8.9-10.8 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 2 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 - 6.8-9.5 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 1 assignment used, quality = 1.00: * HE21 GLN 127 + HG3 GLN 127 OK 100 100 100 100 3.4-3.7 3.5=100 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 2.1-2.8 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 3.6-5.3 3.2/4068=95, 4048/3.0=93...(20) 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 1 assignment used, quality = 1.00: * H GLU 128 + HA GLU 128 OK 100 100 100 100 2.9-2.9 2.9=100 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 2.7-3.0 3.0=100 HB2 GLN 127 + HA GLU 128 OK 42 73 60 96 4.0-4.9 ~4058=36, 4048/2.9=34...(28) HG3 GLN 134 - HA GLU 128 far 0 100 0 - 7.0-10.0 HB VAL 126 - HA GLU 128 far 0 73 0 - 7.5-7.7 HG3 GLU 91 - HA GLU 128 far 0 63 0 - 8.1-11.0 Violated in 0 structures by 0.00 A. Peak 4080 from cnoeabs.peaks (2.22, 4.20, 59.03 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 128 + HA GLU 128 OK 100 100 100 100 2.2-2.3 3.0=100 HB3 GLN 127 - HA GLU 128 far 0 100 0 - 5.0-5.7 HG2 GLU 91 - HA GLU 128 far 0 100 0 - 8.5-11.8 HB3 LEU 96 - HA GLU 128 far 0 97 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 4081 from cnoeabs.peaks (2.37, 4.20, 59.03 ppm; 4.31 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 128 + HA GLU 128 OK 100 100 100 100 3.0-4.1 3.9=100 HG2 GLN 127 + HA GLU 128 OK 32 83 40 98 3.3-6.2 4060/4.9=35, ~4076=34...(17) 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 3.0-3.7 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 1 assignment used, quality = 1.00: * H ILE 129 + HA GLU 128 OK 100 100 100 100 3.5-3.6 3.6=100 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 3 assignments used, quality = 1.00: * H ASP 131 + HA GLU 128 OK 100 100 100 100 3.3-3.5 7904/4086=79...(12) H VAL 126 - HA GLU 128 far 0 83 0 - 6.8-7.0 H LEU 96 - HA GLU 128 far 0 100 0 - 9.9-10.5 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 1 assignment used, quality = 1.00: * HB2 ASP 131 + HA GLU 128 OK 100 100 100 100 2.5-3.2 4195=100, 1.8/4086=88...(14) 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 3 assignments used, quality = 1.00: * HB3 ASP 131 + HA GLU 128 OK 100 100 100 100 3.2-3.8 4201=100, 1.8/4195=84...(14) HE2 LYS 95 - HA GLU 128 far 0 93 0 - 9.2-12.6 HE3 LYS 95 - HA GLU 128 far 0 93 0 - 9.7-12.0 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 9 assignments used, quality = 1.00: * HA CYS 125 + HB2 GLU 128 OK 100 100 100 100 2.5-3.2 3986=100, 3987/1.8=81...(15) HA PRO 81 - HB3 GLN 82 poor 16 41 40 - 4.6-6.0 HA ASN 59 - HB2 GLN 61 far 0 44 0 - 6.3-6.8 HA GLN 134 - HB3 GLN 82 far 0 53 0 - 6.9-10.8 HA ASP 47 - HB3 GLU 44 far 0 92 0 - 7.9-8.2 HA LEU 69 - HB3 GLU 44 far 0 69 0 - 8.0-9.8 HA PRO 117 - HB2 GLU 102 far 0 88 0 - 8.5-11.7 HA ASP 47 - HB2 GLU 128 far 0 96 0 - 9.8-10.7 HA PRO 113 - HB2 GLN 61 far 0 50 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 4088 from cnoeabs.peaks (7.88, 2.08, 28.41 ppm; 3.98 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.1-2.3 3.6=100 H SER 106 - HB2 GLU 102 far 0 87 0 - 4.9-6.2 H ALA 41 - HB3 GLU 44 far 0 97 0 - 5.2-6.0 H GLN 104 - HB2 GLU 102 far 0 89 0 - 5.7-7.0 H ALA 88 - HB3 GLN 82 far 0 28 0 - 8.5-9.9 H ALA 88 - HB2 GLU 128 far 0 65 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 4089 from cnoeabs.peaks (4.20, 2.08, 28.41 ppm; 4.33 A): 2 out of 7 assignments used, quality = 1.00: * HA GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.7-3.0 3.0=100 HA SER 99 + HB2 GLU 102 OK 70 72 100 97 2.8-4.3 3206=61, 11505/3.0=53...(7) HB THR 83 - HB3 GLN 82 far 0 27 0 - 6.0-6.9 HA VAL 105 - HB2 GLU 102 far 0 93 0 - 7.6-8.3 HA ALA 88 - HB2 GLU 128 far 0 99 0 - 7.9-9.6 HB3 SER 38 - HB3 GLU 44 far 0 64 0 - 8.2-10.2 HA LEU 53 - HB2 GLN 61 far 0 48 0 - 9.0-10.2 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 13 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 0 100 0 - 4.8-5.9 HB2 GLN 101 - HB2 GLU 102 far 0 76 0 - 5.1-6.5 HB2 PRO 81 - HB3 GLN 82 far 0 24 0 - 5.2-6.0 HB3 LEU 96 - HB2 GLU 128 far 0 97 0 - 6.4-7.4 HG2 GLN 68 - HB3 GLU 44 far 0 97 0 - 6.8-9.8 HG2 GLU 91 - HB2 GLU 128 far 0 100 0 - 7.0-10.4 HB2 GLN 68 - HB3 GLU 44 far 0 97 0 - 7.9-11.0 HB3 GLN 104 - HB2 GLU 102 far 0 95 0 - 8.3-9.4 HB3 GLU 97 - HB2 GLU 102 far 0 91 0 - 8.6-10.4 HB3 GLN 104 - HB2 GLN 61 far 0 63 0 - 9.6-10.7 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 7 assignments used, quality = 1.00: * HG2 GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 102 + HB2 GLU 102 OK 82 82 100 100 2.2-2.6 3.0=100 HG2 GLN 127 - HB2 GLU 128 poor 18 83 40 55 3.0-7.2 7846/3.6=19, 4081/3.0=12...(9) HG3 GLU 40 - HB3 GLU 44 far 11 77 15 - 3.4-8.2 HG2 GLN 104 - HB2 GLU 102 far 0 93 0 - 6.0-7.4 HG3 GLU 55 - HB2 GLN 61 far 0 39 0 - 8.1-12.2 HB2 PRO 117 - HB2 GLU 102 far 0 87 0 - 8.6-11.5 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 2.3-3.0 3.0=100 HG3 GLN 61 + HB2 GLN 61 OK 60 60 100 100 2.7-3.0 3.0=100 HG2 GLN 101 + HB2 GLU 102 OK 57 95 80 75 3.2-6.2 7450/7455=49...(9) HG2 GLN 82 + HB3 GLN 82 OK 39 39 100 100 2.6-3.0 2.9=100 HG3 GLN 82 + HB3 GLN 82 OK 27 27 100 100 2.6-3.0 2.9=100 HG3 GLU 40 - HB3 GLU 44 poor 15 59 25 - 3.4-8.2 HB3 PRO 58 - HB2 GLN 61 far 0 58 0 - 4.9-5.7 HG3 GLU 55 - HB2 GLN 61 far 0 37 0 - 8.1-12.2 HG3 GLU 97 - HB2 GLU 102 far 0 95 0 - 9.1-11.0 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 6 assignments used, quality = 1.00: * H ILE 129 + HB2 GLU 128 OK 100 100 100 100 2.8-3.6 7864=100, 7865/1.8=74...(16) H VAL 57 - HB2 GLN 61 far 0 62 0 - 7.1-7.9 H SER 38 - HB3 GLU 44 far 0 77 0 - 7.5-8.8 H ALA 16 - HB3 GLN 82 far 0 27 0 - 7.9-46.6 H SER 94 - HB2 GLU 128 far 0 97 0 - 8.6-9.9 H ALA 52 - HB2 GLN 61 far 0 36 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 4095 from cnoeabs.peaks (4.35, 2.22, 28.41 ppm; 4.60 A): 1 out of 5 assignments used, quality = 1.00: * HA CYS 125 + HB3 GLU 128 OK 100 100 100 100 4.1-4.6 3987=100, 3986/1.8=94...(17) HA LEU 69 - HB2 GLN 68 far 3 62 5 - 4.6-5.5 HA LYS 24 - HB3 GLU 97 far 0 55 0 - 8.2-30.9 HA PRO 117 - HB3 GLU 102 far 0 86 0 - 8.8-10.7 HA LEU 69 - HB3 GLU 97 far 0 48 0 - 8.9-10.5 Violated in 2 structures by 0.00 A. Peak 4096 from cnoeabs.peaks (7.88, 2.22, 28.41 ppm; 4.12 A): 3 out of 7 assignments used, quality = 1.00: * H GLU 128 + HB3 GLU 128 OK 100 100 100 100 3.1-3.6 3.6=100 H GLN 68 + HB2 GLN 68 OK 69 69 100 100 2.1-3.6 3.7=100 H SER 106 + HB3 GLU 102 OK 31 85 45 82 3.9-5.7 11781/3.0=58...(8) H GLN 104 - HB3 GLU 102 far 0 87 0 - 5.9-6.6 H GLN 68 - HB3 GLU 97 far 0 53 0 - 8.9-10.4 H GLN 104 - HB3 GLU 97 far 0 69 0 - 9.4-10.2 H ALA 88 - HB3 GLU 128 far 0 65 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 4097 from cnoeabs.peaks (4.20, 2.22, 28.41 ppm; 4.35 A): 2 out of 7 assignments used, quality = 1.00: * HA GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.2-2.3 3.0=100 HA SER 99 + HB3 GLU 102 OK 69 70 100 98 2.5-4.6 3207=63, 11505/3.0=53...(10) HA HIS 67 - HB2 GLN 68 far 0 69 0 - 5.6-6.6 HA HIS 67 - HB3 GLU 97 far 0 53 0 - 5.6-7.0 HA VAL 105 - HB3 GLU 102 far 0 92 0 - 7.2-8.3 HA SER 99 - HB3 GLU 97 far 0 53 0 - 7.4-8.5 HA ALA 88 - HB3 GLU 128 far 0 99 0 - 7.7-8.6 Violated in 0 structures by 0.00 A. Peak 4098 from cnoeabs.peaks (2.08, 2.22, 28.41 ppm; 2.89 A): 2 out of 10 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 far 0 73 0 - 4.9-6.4 HB VAL 118 - HB3 GLU 102 far 0 64 0 - 5.0-6.7 HG2 PRO 117 - HB3 GLU 102 far 0 56 0 - 5.6-7.9 HG3 GLU 91 - HB3 GLU 128 far 0 63 0 - 6.7-9.7 HB VAL 126 - HB3 GLU 128 far 0 73 0 - 7.8-8.4 HB3 GLU 44 - HB2 GLN 68 far 0 91 0 - 7.9-11.0 HB2 GLU 102 - HB3 GLU 97 far 0 75 0 - 8.6-10.4 HG3 GLN 134 - HB3 GLU 128 far 0 100 0 - 8.9-12.1 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 7 assignments used, quality = 1.00: * HG2 GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 102 + HB3 GLU 102 OK 80 80 100 100 2.3-3.0 3.0=100 HG2 GLN 127 - HB3 GLU 128 poor 20 83 40 59 3.6-7.9 7846/3.6=21, 4081/3.0=13...(8) HG2 GLN 104 - HB3 GLU 102 far 0 91 0 - 6.2-7.6 HG2 GLU 102 - HB3 GLU 97 far 0 62 0 - 7.6-11.8 HG2 GLN 104 - HB3 GLU 97 far 0 73 0 - 8.6-9.6 HB2 PRO 117 - HB3 GLU 102 far 0 85 0 - 8.6-10.7 Violated in 0 structures by 0.00 A. Peak 4101 from cnoeabs.peaks (2.42, 2.22, 28.41 ppm; 3.95 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.7-3.0 3.0=100 HG3 GLU 97 + HB3 GLU 97 OK 75 75 100 100 2.6-3.0 2.9=100 HG2 GLN 101 - HB3 GLU 102 poor 17 93 30 62 3.8-6.3 7450/3.8=43, 4093/1.8=15...(5) HG2 GLN 101 - HB3 GLU 97 far 4 75 5 - 3.6-8.7 HG3 GLU 97 - HB3 GLU 102 far 0 93 0 - 8.6-12.4 HG3 GLN 61 - HB2 GLN 68 far 0 89 0 - 9.3-11.6 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 4.0-4.2 4.5=100 H SER 94 - HB3 GLU 97 far 0 69 0 - 6.8-7.1 H ALA 16 - HB3 GLU 97 far 0 40 0 - 9.3-41.4 H SER 38 - HB2 GLN 68 far 0 69 0 - 9.7-12.5 H SER 94 - HB3 GLU 128 far 0 97 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 4103 from cnoeabs.peaks (7.88, 2.37, 34.22 ppm; 3.58 A): 1 out of 5 assignments used, quality = 0.77: H GLN 104 + HG2 GLN 104 OK 77 77 100 100 1.7-2.1 7495=84, 7496/1.8=68...(20) ! H GLU 128 - HG2 GLU 128 poor 20 100 20 99 3.7-4.4 7854/1.8=53, 4.6=48...(15) H SER 106 - HG2 GLN 104 far 0 74 0 - 4.6-6.0 H ALA 88 - HG2 GLU 128 far 0 65 0 - 7.7-8.5 H GLN 68 - HG2 GLN 104 far 0 60 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 4104 from cnoeabs.peaks (4.20, 2.37, 34.22 ppm; 4.15 A increased from 3.69 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 128 + HG2 GLU 128 OK 100 100 100 100 3.0-4.1 3.9=100 HA VAL 105 + HG2 GLN 104 OK 24 81 30 97 4.5-5.9 3.0/7525=50...(10) HA ALA 88 - HG2 GLU 128 far 0 99 0 - 5.7-6.7 HA HIS 67 - HG2 GLN 104 far 0 60 0 - 7.2-8.9 HA SER 99 - HG2 GLN 104 far 0 60 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 4105 from cnoeabs.peaks (2.08, 2.37, 34.22 ppm; 3.57 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLU 128 + HG2 GLU 128 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 91 - HG2 GLU 128 far 0 63 0 - 4.3-8.0 HB2 GLU 102 - HG2 GLN 104 far 0 83 0 - 6.0-7.4 HB2 GLN 127 - HG2 GLU 128 far 0 73 0 - 6.7-8.1 HB VAL 118 - HG2 GLN 104 far 0 54 0 - 7.5-8.7 HB2 LEU 62 - HG2 GLN 104 far 0 54 0 - 7.7-9.3 HB VAL 126 - HG2 GLU 128 far 0 73 0 - 7.7-8.8 HG3 GLN 134 - HG2 GLU 128 far 0 100 0 - 8.4-10.9 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 8 assignments used, quality = 1.00: * HB3 GLU 128 + HG2 GLU 128 OK 99 100 100 99 2.2-3.0 3.0=97, ~4111=20...(9) HB3 GLN 104 + HG2 GLN 104 OK 82 83 100 100 2.4-2.9 3.0=96, 3.0/3416=36...(16) HB2 GLN 101 - HG2 GLN 104 far 0 64 0 - 4.7-6.0 HG2 GLU 91 - HG2 GLU 128 far 0 100 0 - 4.7-8.8 HB3 GLU 102 - HG2 GLN 104 far 0 82 0 - 6.2-7.6 HB3 LEU 96 - HG2 GLU 128 far 0 97 0 - 6.5-8.4 HB3 GLN 127 - HG2 GLU 128 far 0 100 0 - 6.8-8.3 HB3 GLU 97 - HG2 GLN 104 far 0 79 0 - 8.6-9.6 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 3 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 - 5.6-6.8 HG3 GLU 97 - HG2 GLU 128 far 0 100 0 - 10.0-12.4 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 2.5-4.0 4109=90, 4116/1.8=80...(15) H SER 94 - HG2 GLU 128 far 0 97 0 - 7.5-9.0 Violated in 0 structures by 0.00 A. Peak 4110 from cnoeabs.peaks (7.88, 2.42, 34.22 ppm; 4.39 A increased from 3.90 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + HG3 GLU 128 OK 100 100 100 100 3.0-4.2 7854=100, 2.9/4111=77...(12) H ALA 88 - HG3 GLU 128 far 0 65 0 - 7.6-9.5 Violated in 0 structures by 0.00 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 3.0-3.7 4082=90, 2.9/7854=46...(18) HA ALA 88 - HG3 GLU 128 far 0 99 0 - 6.1-7.9 Violated in 2 structures by 0.01 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 2.3-3.0 3.0=100 HG3 GLU 91 - HG3 GLU 128 far 0 63 0 - 4.9-8.0 HB2 GLN 127 - HG3 GLU 128 far 0 73 0 - 6.2-7.6 HB VAL 126 - HG3 GLU 128 far 0 73 0 - 6.8-8.8 HG3 GLN 134 - HG3 GLU 128 far 0 100 0 - 8.3-11.7 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 2.7-3.0 3.0=100 HG2 GLU 91 - HG3 GLU 128 far 0 100 0 - 5.6-8.8 HB3 LEU 96 - HG3 GLU 128 far 0 97 0 - 5.8-8.5 HB3 GLN 127 - HG3 GLU 128 far 0 100 0 - 6.3-7.9 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 - 4.9-8.7 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 2.0-3.2 4109/1.8=77, 7864/3.0=72...(16) H SER 94 - HG3 GLU 128 far 0 97 0 - 7.5-9.1 Violated in 0 structures by 0.00 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 2.7-2.8 2.9=100 H SER 94 - HA ILE 129 far 0 97 0 - 7.7-8.2 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 4 assignments used, quality = 1.00: * HB ILE 129 + HA ILE 129 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 GLU 91 - HA ILE 129 far 0 99 0 - 7.4-9.1 HG2 ARG 90 - HA ILE 129 far 0 83 0 - 7.6-8.6 HB2 GLN 134 - HA ILE 129 far 0 87 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 4120 from cnoeabs.peaks (0.82, 3.46, 66.06 ppm; 3.66 A): 1 out of 8 assignments used, quality = 1.00: * QG2 ILE 129 + HA ILE 129 OK 100 100 100 100 2.0-2.4 3.2=100 QG1 VAL 133 - HA ILE 129 far 0 92 0 - 6.0-7.0 QG2 ILE 80 - HA ILE 129 far 0 99 0 - 7.9-8.7 HG13 ILE 80 - HA ILE 129 far 0 100 0 - 7.9-8.4 QD1 LEU 122 - HA ILE 129 far 0 92 0 - 8.6-11.1 QD2 LEU 49 - HA ILE 129 far 0 71 0 - 8.9-9.7 QD1 LEU 70 - HA ILE 129 far 0 100 0 - 9.1-10.4 QD1 LEU 53 - HA ILE 129 far 0 63 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 4121 from cnoeabs.peaks (0.75, 3.46, 66.06 ppm; 4.18 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 129 + HA ILE 129 OK 100 100 100 100 2.5-4.0 3.7=100 QD2 LEU 96 - HA ILE 129 far 0 100 0 - 5.5-6.2 QD2 LEU 43 - HA ILE 129 far 0 100 0 - 5.7-6.3 QG1 VAL 93 - HA ILE 129 far 0 100 0 - 6.3-6.9 QD1 LEU 96 - HA ILE 129 far 0 78 0 - 7.1-8.2 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 2.9-4.0 3.7=100 HG3 ARG 90 - HA ILE 129 far 0 96 0 - 8.4-10.2 HB ILE 80 - HA ILE 129 far 0 99 0 - 9.3-9.8 HB2 LEU 43 - HA ILE 129 far 0 89 0 - 9.5-10.8 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 2.5-3.9 4.2=94, 4163/3.2=79...(26) QD1 LEU 42 - HA ILE 129 far 0 99 0 - 5.5-6.8 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 3.5-3.6 3.6=100 H CYS 125 - HA ILE 129 far 0 99 0 - 8.4-8.7 H TYR 76 - HA ILE 129 far 0 99 0 - 9.6-10.5 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 4 assignments used, quality = 1.00: * H VAL 132 + HA ILE 129 OK 100 100 100 100 3.4-3.9 7909=100, 7917/4126=80...(24) H SER 9 - HA ILE 129 far 0 90 0 - 9.3-49.3 H GLU 97 - HA ILE 129 far 0 63 0 - 9.7-10.5 H ASP 47 - HA ILE 129 far 0 92 0 - 9.7-10.7 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 3.3-3.8 4213=99, 2.1/10477=85...(24) HG2 GLU 97 - HA ILE 129 far 0 98 0 - 9.7-10.6 Violated in 0 structures by 0.00 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 3.0-3.9 4007=100, 10402/3.2=84...(25) HA ILE 129 + HB ILE 129 OK 63 63 100 100 2.9-3.0 3.0=100 HA VAL 77 - HB ILE 129 far 0 93 0 - 8.8-9.3 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 2.5-3.1 3.8=100 H SER 94 - HB ILE 129 far 0 97 0 - 7.9-9.1 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 2.9-3.0 3.0=100 HA VAL 126 + HB ILE 129 OK 63 63 100 100 3.0-3.9 3.2/11618=72, 4007=49...(24) HA LEU 42 - HB ILE 129 far 0 93 0 - 7.2-8.7 HA VAL 77 - HB ILE 129 far 0 93 0 - 8.8-9.3 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): 1 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 far 0 92 0 - 5.6-7.3 QD2 LEU 49 - HB ILE 129 far 0 71 0 - 7.0-7.4 QD1 LEU 122 - HB ILE 129 far 0 92 0 - 7.6-9.7 QD1 LEU 53 - HB ILE 129 far 0 63 0 - 8.1-10.4 QD1 LEU 70 - HB ILE 129 far 0 100 0 - 8.2-8.8 HG13 ILE 80 - HB ILE 129 far 0 100 0 - 8.5-9.3 QG2 ILE 80 - HB ILE 129 far 0 99 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 4132 from cnoeabs.peaks (0.75, 2.00, 38.15 ppm; 4.43 A): 3 out of 5 assignments used, quality = 1.00: * HG12 ILE 129 + HB ILE 129 OK 100 100 100 100 2.3-3.0 2.9=100 QD2 LEU 96 + HB ILE 129 OK 94 100 95 99 4.0-5.1 4164/3.2=43...(20) QD2 LEU 43 + HB ILE 129 OK 30 100 35 86 4.8-6.0 9129/9086=51...(4) QD1 LEU 96 - HB ILE 129 far 0 78 0 - 5.8-6.6 QG1 VAL 93 - HB ILE 129 far 0 100 0 - 5.8-6.4 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 2.3-3.0 2.9=100 HB2 LEU 43 - HB ILE 129 far 0 89 0 - 7.6-9.8 HG3 ARG 90 - HB ILE 129 far 0 96 0 - 9.4-11.8 HB2 LYS 39 - HB ILE 129 far 0 89 0 - 9.9-11.5 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 2.0-3.2 3.2=100 QD1 LEU 42 + HB ILE 129 OK 59 99 60 100 4.1-5.6 9083/2.1=88, 2.1/9086=67...(9) 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=84...(19) H CYS 125 - HB ILE 129 far 0 99 0 - 7.2-8.5 H LEU 48 - HB ILE 129 far 0 97 0 - 8.9-10.1 H TYR 76 - HB ILE 129 far 0 99 0 - 8.9-9.7 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 5 assignments used, quality = 1.00: * H ILE 129 + QG2 ILE 129 OK 100 100 100 100 3.5-3.8 4.0=100 H SER 94 - QG2 ILE 129 far 0 97 0 - 5.5-6.1 H ALA 16 - QG2 ILE 80 far 0 36 0 - 7.1-35.6 H SER 38 - QG2 ILE 129 far 0 81 0 - 8.8-9.9 H SER 38 - QG2 ILE 80 far 0 49 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 4137 from cnoeabs.peaks (3.46, 0.82, 16.92 ppm; 3.74 A): 3 out of 6 assignments used, quality = 1.00: * HA ILE 129 + QG2 ILE 129 OK 100 100 100 100 2.0-2.4 3.2=100 HA VAL 77 + QG2 ILE 80 OK 57 60 95 100 3.9-4.4 9643/3.1=48, 9645/2.1=31...(42) HA VAL 126 + QG2 ILE 129 OK 53 63 85 99 4.0-4.4 4161/4163=29...(30) HA VAL 77 - QG2 ILE 129 far 0 93 0 - 5.6-5.9 HA LEU 42 - QG2 ILE 129 far 0 93 0 - 6.3-7.1 HA ILE 129 - QG2 ILE 80 far 0 70 0 - 7.9-8.7 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 12 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 30 69 45 99 2.9-5.0 11168/3.2=36...(28) HG2 ARG 90 - QG2 ILE 129 far 0 83 0 - 5.4-6.7 HG2 ARG 90 - QG2 ILE 80 far 0 51 0 - 6.1-6.7 HB2 GLU 91 - QG2 ILE 129 far 0 99 0 - 7.0-8.2 HB VAL 20 - QG2 ILE 80 far 0 69 0 - 7.7-28.4 HB2 GLN 134 - QG2 ILE 129 far 0 87 0 - 8.4-9.6 HG2 PRO 81 - QG2 ILE 129 far 0 100 0 - 9.0-10.3 HB2 GLN 134 - QG2 ILE 80 far 0 54 0 - 9.0-10.2 HB2 GLU 91 - QG2 ILE 80 far 0 66 0 - 9.1-9.9 HB ILE 129 - QG2 ILE 80 far 0 70 0 - 9.2-10.1 HB3 MET 11 - QG2 ILE 80 far 0 51 0 - 9.9-36.7 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; 3.18 A increased from 2.82 A): 2 out of 11 assignments used, quality = 1.00: * HG12 ILE 129 + QG2 ILE 129 OK 100 100 100 100 2.6-3.2 3.2=98, 2.1/4163=73...(20) QD2 LEU 96 + QG2 ILE 129 OK 73 100 80 92 3.2-4.0 4164/4163=30...(28) QG1 VAL 93 - QG2 ILE 129 far 10 100 10 - 3.7-4.3 QD2 LEU 43 - QG2 ILE 129 far 0 100 0 - 4.3-5.3 QD1 LEU 96 - QG2 ILE 129 far 0 78 0 - 4.7-5.9 QD2 LEU 43 - QG2 ILE 80 far 0 68 0 - 7.4-8.6 QD1 ILE 37 - QG2 ILE 129 far 0 60 0 - 7.9-8.7 QG1 VAL 93 - QG2 ILE 80 far 0 70 0 - 8.6-8.9 QD1 ILE 37 - QG2 ILE 80 far 0 35 0 - 8.8-10.0 HG12 ILE 129 - QG2 ILE 80 far 0 70 0 - 9.4-11.2 QD2 LEU 96 - QG2 ILE 80 far 0 69 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 4141 from cnoeabs.peaks (1.74, 0.82, 16.92 ppm; 3.71 A): 2 out of 11 assignments used, quality = 1.00: * HG13 ILE 129 + QG2 ILE 129 OK 100 100 100 100 1.9-3.2 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 129 far 0 96 0 - 5.9-7.9 HB2 LYS 39 - QG2 ILE 80 far 0 55 0 - 6.6-9.0 HB2 LYS 19 - QG2 ILE 80 far 0 68 0 - 6.6-31.5 HG3 ARG 90 - QG2 ILE 80 far 0 62 0 - 6.9-8.2 HB ILE 80 - QG2 ILE 129 far 0 99 0 - 6.9-7.5 HB2 LEU 43 - QG2 ILE 129 far 0 89 0 - 7.5-8.5 HB2 LYS 39 - QG2 ILE 129 far 0 89 0 - 7.9-9.2 HG13 ILE 129 - QG2 ILE 80 far 0 70 0 - 8.6-11.2 HB2 ARG 23 - QG2 ILE 80 far 0 63 0 - 9.4-25.0 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 1.8-2.7 4163=100, 2.1/4140=33...(30) QD1 LEU 42 + QG2 ILE 129 OK 86 99 90 97 2.6-3.8 9083=65, 2.1/10486=57...(20) QD1 LEU 42 - QG2 ILE 80 far 0 67 0 - 6.6-7.4 QD1 ILE 129 - QG2 ILE 80 far 0 70 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 4143 from cnoeabs.peaks (8.04, 0.82, 16.92 ppm; 3.97 A increased from 3.74 A): 1 out of 10 assignments used, quality = 1.00: * H SER 130 + QG2 ILE 129 OK 100 100 100 100 3.4-3.9 7884=99, 7883/2.1=74...(17) H CYS 79 - QG2 ILE 80 far 0 66 0 - 4.9-5.1 H TYR 76 - QG2 ILE 129 far 0 99 0 - 6.1-6.6 H ALA 16 - QG2 ILE 80 far 0 68 0 - 7.1-35.6 H CYS 125 - QG2 ILE 129 far 0 99 0 - 7.6-7.9 H TYR 76 - QG2 ILE 80 far 0 66 0 - 7.8-8.1 H VAL 20 - QG2 ILE 80 far 0 36 0 - 8.0-29.5 H CYS 79 - QG2 ILE 129 far 0 99 0 - 8.2-8.5 H LEU 48 - QG2 ILE 129 far 0 97 0 - 9.0-9.7 H SER 130 - QG2 ILE 80 far 0 70 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 4144 from cnoeabs.peaks (8.00, 0.75, 30.23 ppm; 6.21 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HG12 ILE 129 OK 100 100 100 100 1.3-3.0 4.8=100 H SER 94 - HG12 ILE 129 poor 19 97 20 - 6.3-8.1 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 2.5-4.0 3.7=100 HA VAL 126 + HG12 ILE 129 OK 63 63 100 100 1.8-4.5 ~11692=55, ~11619=55...(25) HA LEU 42 - HG12 ILE 129 far 0 93 0 - 8.5-11.3 HA VAL 77 - HG12 ILE 129 far 0 93 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 4146 from cnoeabs.peaks (2.00, 0.75, 30.23 ppm; 5.68 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 129 + HG12 ILE 129 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 GLU 91 - HG12 ILE 129 far 0 99 0 - 6.6-11.1 HG2 ARG 90 - HG12 ILE 129 far 0 83 0 - 8.3-10.5 Violated in 0 structures by 0.00 A. Peak 4147 from cnoeabs.peaks (0.82, 0.75, 30.23 ppm; 4.26 A): 1 out of 8 assignments used, quality = 1.00: * QG2 ILE 129 + HG12 ILE 129 OK 100 100 100 100 2.6-3.2 3.2=100 QD2 LEU 49 - HG12 ILE 129 far 0 71 0 - 5.8-8.4 QD1 LEU 122 - HG12 ILE 129 far 0 92 0 - 6.2-9.4 QD1 LEU 53 - HG12 ILE 129 far 0 63 0 - 7.2-9.6 QD1 LEU 70 - HG12 ILE 129 far 0 100 0 - 7.3-9.0 QG1 VAL 133 - HG12 ILE 129 far 0 92 0 - 7.5-8.8 QG2 ILE 80 - HG12 ILE 129 far 0 99 0 - 9.4-11.2 HG13 ILE 80 - HG12 ILE 129 far 0 100 0 - 9.8-11.0 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 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 96 0 - 9.4-11.9 HB2 LEU 43 - HG12 ILE 129 far 0 89 0 - 9.7-12.3 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 0 99 0 - 5.5-7.3 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 3.3-4.4 7883/2.9=100...(13) H CYS 125 + HG12 ILE 129 OK 98 99 100 100 5.9-6.7 ~10469=80, ~10379=75...(9) H LEU 48 - HG12 ILE 129 far 0 97 0 - 9.1-12.6 H TYR 76 - HG12 ILE 129 far 0 99 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 4152 from cnoeabs.peaks (8.00, 1.74, 30.23 ppm; 5.47 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HG13 ILE 129 OK 100 100 100 100 1.3-3.8 4.8=100 H SER 94 - HG13 ILE 129 poor 19 97 20 - 5.3-8.1 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 2.9-4.0 3.7=100 HA VAL 126 + HG13 ILE 129 OK 63 63 100 100 1.8-5.0 ~11692=51, ~11619=50...(28) HA VAL 77 - HG13 ILE 129 far 0 93 0 - 7.8-10.6 HA LEU 42 - HG13 ILE 129 far 0 93 0 - 8.2-10.6 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 3 assignments used, quality = 1.00: * HB ILE 129 + HG13 ILE 129 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 ARG 90 - HG13 ILE 129 far 0 83 0 - 6.8-10.3 HB2 GLU 91 - HG13 ILE 129 far 0 99 0 - 6.8-11.3 Violated in 0 structures by 0.00 A. Peak 4155 from cnoeabs.peaks (0.82, 1.74, 30.23 ppm; 4.50 A): 1 out of 8 assignments used, quality = 1.00: * QG2 ILE 129 + HG13 ILE 129 OK 100 100 100 100 1.9-3.2 3.2=100 QD2 LEU 49 - HG13 ILE 129 far 0 71 0 - 5.6-8.6 QD1 LEU 122 - HG13 ILE 129 far 0 92 0 - 5.6-9.5 QD1 LEU 53 - HG13 ILE 129 far 0 63 0 - 7.2-9.8 QD1 LEU 70 - HG13 ILE 129 far 0 100 0 - 7.2-8.4 QG1 VAL 133 - HG13 ILE 129 far 0 92 0 - 7.5-8.7 QG2 ILE 80 - HG13 ILE 129 far 0 99 0 - 8.6-11.2 HG13 ILE 80 - HG13 ILE 129 far 0 100 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. Peak 4156 from cnoeabs.peaks (0.75, 1.74, 30.23 ppm; 4.14 A): 3 out of 5 assignments used, quality = 1.00: * HG12 ILE 129 + HG13 ILE 129 OK 100 100 100 100 1.8-1.8 1.8=100 QD2 LEU 96 + HG13 ILE 129 OK 99 100 100 99 2.6-4.2 4164/2.1=47, ~10492=36...(20) QD1 LEU 96 + HG13 ILE 129 OK 42 78 55 98 3.9-6.5 ~10492=36, ~10492=35...(22) QG1 VAL 93 - HG13 ILE 129 poor 20 100 20 100 4.3-6.2 2.1/11325=59, ~9967=57...(24) QD2 LEU 43 - HG13 ILE 129 far 0 100 0 - 6.4-8.0 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 0 99 0 - 5.0-6.6 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 3.2-5.2 7883/2.9=94, 7887/2.1=91...(13) H CYS 125 - HG13 ILE 129 far 15 99 15 - 5.8-7.9 H LEU 48 - HG13 ILE 129 far 0 97 0 - 9.0-12.8 H TYR 76 - HG13 ILE 129 far 0 99 0 - 9.1-11.1 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 3 assignments used, quality = 1.00: * H ILE 129 + QD1 ILE 129 OK 100 100 100 100 2.5-3.4 7873=100, 7872/2.1=74...(20) H SER 94 + QD1 ILE 129 OK 86 97 90 99 4.5-4.8 3.6/10461=60...(12) H SER 51 - QD1 ILE 129 far 0 85 0 - 9.8-11.0 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 2.5-3.9 4123=77, 3.2/4163=69...(25) HA VAL 126 + QD1 ILE 129 OK 62 63 100 99 2.1-2.9 3.2/11692=51, 10402=44...(26) HA VAL 77 - QD1 ILE 129 far 0 93 0 - 7.5-8.5 HA LEU 42 - QD1 ILE 129 far 0 93 0 - 7.9-8.7 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 2.0-3.2 3.2=100 HB2 GLU 91 - QD1 ILE 129 far 0 99 0 - 6.2-7.9 HG2 ARG 90 - QD1 ILE 129 far 0 83 0 - 6.2-7.5 HB3 MET 11 - QD1 ILE 129 far 0 83 0 - 8.4-35.7 HB3 LEU 53 - QD1 ILE 129 far 0 98 0 - 9.6-11.9 HB2 GLN 134 - QD1 ILE 129 far 0 87 0 - 9.8-11.5 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 8 assignments used, quality = 1.00: * QG2 ILE 129 + QD1 ILE 129 OK 100 100 100 100 1.8-2.7 3.0=86, 4140/2.1=30...(29) QD1 LEU 122 - QD1 ILE 129 far 0 92 0 - 4.8-7.1 QD1 LEU 70 - QD1 ILE 129 far 0 100 0 - 5.2-6.0 QD2 LEU 49 - QD1 ILE 129 far 0 71 0 - 5.4-6.0 QD1 LEU 53 - QD1 ILE 129 far 0 63 0 - 6.4-8.7 QG1 VAL 133 - QD1 ILE 129 far 0 92 0 - 6.9-7.7 QG2 ILE 80 - QD1 ILE 129 far 0 99 0 - 8.1-9.0 HG13 ILE 80 - QD1 ILE 129 far 0 100 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 4164 from cnoeabs.peaks (0.75, 0.64, 14.39 ppm; 2.70 A): 2 out of 7 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 95 100 100 95 1.8-2.3 3.2/10492=25...(33) QG1 VAL 93 - QD1 ILE 129 far 15 100 15 - 3.2-3.6 QD1 LEU 96 - QD1 ILE 129 far 0 78 0 - 3.7-4.3 QD2 LEU 43 - QD1 ILE 129 far 0 100 0 - 6.2-6.9 QD2 LEU 103 - QD1 ILE 129 far 0 98 0 - 8.6-9.8 QD1 ILE 37 - QD1 ILE 129 far 0 60 0 - 8.8-10.2 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 - 6.3-8.4 HB ILE 80 - QD1 ILE 129 far 0 99 0 - 9.2-10.1 HB2 LEU 43 - QD1 ILE 129 far 0 89 0 - 9.5-10.2 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; 4.66 A increased from 3.92 A): 2 out of 4 assignments used, quality = 1.00: * H SER 130 + QD1 ILE 129 OK 100 100 100 100 4.0-4.6 7887=94, 4143/4163=79...(18) H CYS 125 + QD1 ILE 129 OK 54 99 55 99 4.7-5.6 2.9/10469=63...(12) H TYR 76 - QD1 ILE 129 far 0 99 0 - 7.7-8.5 H LEU 48 - QD1 ILE 129 far 0 97 0 - 9.2-10.0 Violated in 0 structures by 0.00 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 - 8.7-9.5 H TYR 76 - HA SER 130 far 0 99 0 - 9.8-10.9 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 4 assignments used, quality = 1.00: * HB2 SER 130 + HA SER 130 OK 100 100 100 100 2.2-2.7 3.0=100 HA GLU 40 - HA SER 130 far 0 83 0 - 7.5-8.3 HB2 SER 50 - HA SER 130 far 0 90 0 - 8.1-10.2 HD2 PRO 81 - HA SER 130 far 0 57 0 - 8.6-9.5 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): 1 out of 4 assignments used, quality = 1.00: * H ASP 131 + HA SER 130 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 43 - HA SER 130 poor 18 89 20 - 5.0-5.6 H VAL 126 - HA SER 130 far 0 83 0 - 8.5-9.5 H GLU 40 - HA SER 130 far 0 97 0 - 8.7-9.3 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 3.4-3.8 7935/11861=86...(20) 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 2.3-3.3 2.1/11861=87...(13) HB3 LEU 69 - HA SER 130 far 0 71 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 4175 from cnoeabs.peaks (3.97, 3.82, 62.61 ppm; 3.65 A): 2 out of 8 assignments used, quality = 0.76: HA GLN 127 + HB2 SER 50 OK 60 73 95 88 2.9-4.6 4037=54, 2858/1.8=22...(15) HA SER 50 + HB2 SER 50 OK 40 40 100 100 2.2-2.8 3.0=100 ! HA GLN 127 - HB2 SER 130 poor 18 100 20 89 3.1-5.5 4181/1.8=66...(7) HB3 SER 51 - HB2 SER 50 far 0 65 0 - 5.2-7.4 HB2 SER 51 - HB2 SER 50 far 0 40 0 - 5.4-6.9 HA SER 50 - HB2 SER 130 far 0 65 0 - 7.8-10.2 HB2 SER 124 - HB2 SER 50 far 0 42 0 - 8.1-10.3 HB3 SER 51 - HB2 SER 130 far 0 96 0 - 9.4-12.1 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 7 assignments used, quality = 1.00: * H SER 130 + HB2 SER 130 OK 100 100 100 100 2.1-3.6 7889=100, 7891/4180=45...(10) H LEU 48 - HB2 SER 50 far 0 67 0 - 5.4-7.0 H ALA 52 - HB2 SER 50 far 0 70 0 - 5.9-6.4 H SER 130 - HB2 SER 50 far 0 73 0 - 6.6-8.4 H CYS 125 - HB2 SER 50 far 0 69 0 - 6.7-8.5 H LEU 48 - HB2 SER 130 far 0 97 0 - 6.8-8.8 H CYS 125 - HB2 SER 130 far 0 99 0 - 8.5-11.5 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 7 assignments used, quality = 1.00: * HA SER 130 + HB2 SER 130 OK 100 100 100 100 2.2-2.7 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 94 100 100 94 2.2-4.5 3.9/11720=60...(10) HB3 SER 130 - HB2 SER 50 far 0 69 0 - 5.6-7.3 HA VAL 133 - HB2 SER 130 far 0 92 0 - 7.2-8.4 HA LEU 43 - HB2 SER 50 far 0 73 0 - 8.0-10.0 HA SER 130 - HB2 SER 50 far 0 73 0 - 8.1-10.2 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 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 99 99 100 100 2.2-2.7 3.0=100 HA LEU 43 + HB2 SER 130 OK 64 99 80 80 2.2-4.5 3.9/11720=40...(10) HB3 SER 130 - HB2 SER 50 far 0 73 0 - 5.6-7.3 HA VAL 133 - HB2 SER 130 far 0 99 0 - 7.2-8.4 HA LEU 43 - HB2 SER 50 far 0 70 0 - 8.0-10.0 HA SER 130 - HB2 SER 50 far 0 69 0 - 8.1-10.2 Violated in 0 structures by 0.00 A. Peak 4180 from cnoeabs.peaks (8.27, 3.82, 62.61 ppm; 4.21 A): 1 out of 8 assignments used, quality = 0.98: * H ASP 131 + HB2 SER 130 OK 98 100 100 98 3.1-4.3 4.6=76, 7891/7889=59...(12) H LEU 43 - HB2 SER 130 far 4 89 5 - 4.7-7.1 H VAL 126 - HB2 SER 50 far 0 53 0 - 5.8-7.6 H LEU 123 - HB2 SER 50 far 0 66 0 - 6.3-8.4 H VAL 126 - HB2 SER 130 far 0 83 0 - 6.7-9.9 H ASP 131 - HB2 SER 50 far 0 73 0 - 7.7-9.1 H GLU 40 - HB2 SER 130 far 0 97 0 - 8.8-11.2 H LEU 69 - HB2 SER 130 far 0 63 0 - 9.9-12.5 Violated in 2 structures by 0.00 A. Peak 4181 from cnoeabs.peaks (3.97, 3.77, 62.61 ppm; 4.40 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 127 + HB3 SER 130 OK 100 100 100 100 3.3-3.9 4038=100, 4036/3.9=52...(7) HA SER 50 - HB3 SER 130 far 0 65 0 - 8.1-8.9 HB3 SER 51 - HB3 SER 130 far 0 96 0 - 9.3-12.1 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 3 assignments used, quality = 1.00: * H SER 130 + HB3 SER 130 OK 100 100 100 100 2.1-3.1 3.9=100 H LEU 48 - HB3 SER 130 far 0 97 0 - 7.1-8.7 H CYS 125 - HB3 SER 130 far 0 99 0 - 8.9-9.8 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 0 90 0 - 5.6-7.3 HA LEU 123 - HB3 SER 130 far 0 68 0 - 8.2-9.3 HA GLU 40 - HB3 SER 130 far 0 83 0 - 8.8-9.4 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 2 assignments used, quality = 1.00: * H ASP 131 + HA ASP 131 OK 100 100 100 100 2.7-2.8 2.9=100 H LEU 43 - HA ASP 131 far 0 89 0 - 8.8-10.0 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 1 assignment used, quality = 1.00: * HB2 ASP 131 + HA ASP 131 OK 100 100 100 100 2.6-2.7 3.0=100 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 3.0-3.0 3.0=100 HB3 ASP 47 - HA ASP 131 far 0 76 0 - 9.7-11.8 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 3 assignments used, quality = 1.00: * H VAL 132 + HA ASP 131 OK 100 100 100 100 3.6-3.6 3.6=100 H SER 9 - HA ASP 131 far 0 90 0 - 8.7-55.3 H ASP 47 - HA ASP 131 far 0 92 0 - 9.3-10.7 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 2 assignments used, quality = 1.00: * H GLN 134 + HA ASP 131 OK 100 100 100 100 3.1-3.5 7939=100, 7948/4193=70...(9) HE22 GLN 127 - HA ASP 131 far 0 98 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 4193 from cnoeabs.peaks (2.02, 4.31, 56.79 ppm; 4.39 A increased from 4.13 A): 1 out of 4 assignments used, quality = 0.96: * HB2 GLN 134 + HA ASP 131 OK 96 100 100 96 2.9-4.6 1.8/4194=66, 4266=60...(7) HG3 ARG 135 - HA ASP 131 far 5 96 5 - 4.8-6.8 HB ILE 129 - HA ASP 131 far 0 87 0 - 7.2-7.7 HG2 PRO 81 - HA ASP 131 far 0 78 0 - 9.9-11.7 Violated in 3 structures by 0.02 A. Peak 4194 from cnoeabs.peaks (2.33, 4.31, 56.79 ppm; 4.86 A increased from 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 134 + HA ASP 131 OK 100 100 100 100 2.8-5.0 1.8/4193=89, 4276=82...(9) HG2 GLN 127 - HA ASP 131 far 0 71 0 - 7.8-8.7 Violated in 2 structures by 0.02 A. Peak 4195 from cnoeabs.peaks (4.20, 2.77, 40.87 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 128 + HB2 ASP 131 OK 100 100 100 100 2.5-3.2 4085=100, 4086/1.8=81...(14) HA ALA 34 - HB2 TYR 76 far 0 42 0 - 5.6-7.7 HB3 SER 38 - HB2 TYR 76 far 0 46 0 - 7.6-9.4 HA ALA 88 - HB2 ASP 131 far 0 99 0 - 9.9-10.8 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 5 assignments used, quality = 1.00: * H ASP 131 + HB2 ASP 131 OK 100 100 100 100 2.1-2.2 7903=100, 7904/1.8=82...(13) H LEU 43 - HB2 TYR 76 far 0 63 0 - 6.8-7.4 H GLU 40 - HB2 TYR 76 far 0 72 0 - 8.0-9.6 H VAL 126 - HB2 ASP 131 far 0 83 0 - 8.9-9.4 H LEU 69 - HB2 TYR 76 far 0 42 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 4197 from cnoeabs.peaks (4.31, 2.77, 40.87 ppm; 3.74 A): 2 out of 7 assignments used, quality = 1.00: * HA ASP 131 + HB2 ASP 131 OK 100 100 100 100 2.6-2.7 3.0=100 HA TYR 76 + HB2 TYR 76 OK 77 77 100 100 2.5-3.0 3.0=100 HA2 GLY 75 - HB2 TYR 76 far 0 72 0 - 5.7-5.9 HA SER 74 - HB2 TYR 76 far 0 63 0 - 5.8-6.9 HA LEU 69 - HB2 TYR 76 far 0 52 0 - 7.1-7.6 HA ALA 15 - HB2 TYR 76 far 0 52 0 - 9.9-39.9 HA PRO 81 - HB2 TYR 76 far 0 40 0 - 10.0-10.5 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 1 assignment used, quality = 1.00: * HB3 ASP 131 + HB2 ASP 131 OK 100 100 100 100 1.8-1.8 1.8=100 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 3.3-3.5 7914=100, 7915/1.8=80...(17) H SER 9 - HB2 ASP 131 far 0 90 0 - 6.8-54.7 H LEU 70 - HB2 TYR 76 far 0 75 0 - 8.9-9.5 H ASP 47 - HB2 ASP 131 far 0 92 0 - 9.7-10.8 H VAL 132 - HB2 TYR 76 far 0 78 0 - 9.8-11.2 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 3.2-3.8 4086=100, 4195/1.8=75...(14) HA ALA 88 - HB3 ASP 131 far 0 99 0 - 8.4-9.6 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 2 assignments used, quality = 1.00: * H ASP 131 + HB3 ASP 131 OK 100 100 100 100 2.9-3.0 7904=100, 7903/1.8=81...(14) H VAL 126 - HB3 ASP 131 far 0 83 0 - 9.8-10.3 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 3.0-3.0 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 1 assignment used, quality = 1.00: * HB2 ASP 131 + HB3 ASP 131 OK 100 100 100 100 1.8-1.8 1.8=100 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 2.2-2.6 7915=100, 7914/1.8=85...(24) H SER 9 - HB3 ASP 131 far 0 90 0 - 6.0-53.7 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 2 assignments used, quality = 1.00: * H VAL 132 + HA VAL 132 OK 100 100 100 100 2.7-2.8 3.0=100 H SER 9 - HA VAL 132 far 0 90 0 - 7.8-54.1 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 3.0-3.0 3.0=100 HB2 PRO 81 - HA VAL 132 far 0 71 0 - 9.8-11.8 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 2.0-2.1 3.2=100 QG2 VAL 132 + HA VAL 132 OK 99 99 100 100 2.5-2.6 3.2=100 HG2 LYS 39 - HA VAL 132 far 0 100 0 - 8.6-10.8 HG3 LYS 39 - HA VAL 132 far 0 68 0 - 8.8-9.2 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 2.5-2.6 3.2=100 QG1 VAL 132 + HA VAL 132 OK 99 99 100 100 2.0-2.1 3.2=100 HG2 LYS 39 - HA VAL 132 far 0 100 0 - 8.6-10.8 HG3 LYS 39 - HA VAL 132 far 0 87 0 - 8.8-9.2 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 3.4-3.5 3.6=100 H PHE 87 - HA VAL 132 far 0 60 0 - 8.0-8.9 H GLU 91 - HA VAL 132 far 0 83 0 - 9.1-9.9 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 3.3-3.8 4126=100, 10477/2.1=86...(23) HA VAL 77 - HB VAL 132 far 0 93 0 - 6.6-7.1 HA VAL 126 - HB VAL 132 far 0 63 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 4214 from cnoeabs.peaks (8.47, 2.28, 31.51 ppm; 3.60 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 132 + HB VAL 132 OK 100 100 100 100 2.8-3.0 7917=100, 4226/2.1=49...(19) H ASN 116 - HB3 PRO 113 far 0 43 0 - 5.7-7.7 H SER 9 - HB VAL 132 far 0 90 0 - 9.0-51.3 Violated in 0 structures by 0.00 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 3.0-3.0 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 5 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 0 73 0 - 5.0-6.6 HG3 LYS 39 - HB VAL 132 far 0 68 0 - 8.1-8.7 HG2 LYS 39 - HB VAL 132 far 0 100 0 - 8.3-10.4 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 5 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 far 0 73 0 - 5.0-6.6 HG3 LYS 39 - HB VAL 132 far 0 87 0 - 8.1-8.7 HG2 LYS 39 - HB VAL 132 far 0 100 0 - 8.3-10.4 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 3 assignments used, quality = 1.00: * H VAL 133 + HB VAL 132 OK 100 100 100 100 2.8-3.1 7929=100, 3.3/7917=67...(21) H GLU 91 - HB VAL 132 far 0 83 0 - 7.1-7.9 H PHE 87 - HB VAL 132 far 0 60 0 - 7.1-7.8 Violated in 0 structures by 0.00 A. Peak 4220 from cnoeabs.peaks (8.47, 1.13, 22.77 ppm; 3.79 A): 2 out of 7 assignments used, quality = 1.00: * H VAL 132 + QG1 VAL 132 OK 100 100 100 100 3.6-3.7 4.0=85, 7917/2.1=80...(26) H VAL 132 + QG2 VAL 132 OK 54 54 100 100 1.8-1.9 4.0=83, 7917/2.1=80...(29) H SER 9 - QG2 VAL 132 far 0 43 0 - 5.5-42.9 H SER 9 - QG1 VAL 132 far 0 90 0 - 7.2-44.2 H ALA 12 - QG1 VAL 132 far 0 63 0 - 8.6-36.6 H ALA 12 - QG2 VAL 132 far 0 27 0 - 8.7-37.1 H ASP 47 - QG2 VAL 132 far 0 44 0 - 9.9-10.7 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 2.0-2.1 3.2=100 HA VAL 132 + QG2 VAL 132 OK 54 54 100 100 2.5-2.6 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 - QG1 VAL 132 far 0 71 0 - 7.8-9.6 HG2 GLU 97 - QG2 VAL 132 far 0 50 0 - 10.0-10.6 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 3.9-4.1 4.2=83, 7929/2.1=76...(25) H VAL 133 + QG2 VAL 132 OK 54 54 100 100 3.5-3.7 4.4=76, 7929/2.1=76...(32) H PHE 87 - QG1 VAL 132 far 9 60 15 - 4.5-5.1 H GLU 91 - QG2 VAL 132 far 0 38 0 - 5.4-6.2 H GLU 91 - QG1 VAL 132 far 0 83 0 - 5.4-6.1 H PHE 87 - QG2 VAL 132 far 0 26 0 - 6.5-7.0 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 7 assignments used, quality = 1.00: * H VAL 132 + QG2 VAL 132 OK 100 100 100 100 1.8-1.9 7917/2.1=63, 4.0=52...(29) H VAL 132 + QG1 VAL 132 OK 53 54 100 99 3.6-3.7 7917/2.1=63, 4.0=54...(24) H SER 9 - QG2 VAL 132 far 0 90 0 - 5.5-42.9 H SER 9 - QG1 VAL 132 far 0 43 0 - 7.2-44.2 H ALA 12 - QG1 VAL 132 far 0 27 0 - 8.6-36.6 H ALA 12 - QG2 VAL 132 far 0 63 0 - 8.7-37.1 H ASP 47 - QG2 VAL 132 far 0 92 0 - 9.9-10.7 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 2.5-2.6 3.2=100 HA VAL 132 + QG1 VAL 132 OK 54 54 100 100 2.0-2.1 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 - QG1 VAL 132 far 0 31 0 - 7.8-9.6 HG2 GLU 97 - QG2 VAL 132 far 0 98 0 - 10.0-10.6 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 3.5-3.7 4.4=90, 7929/2.1=82...(32) H VAL 133 + QG1 VAL 132 OK 54 54 100 100 3.9-4.1 4.2=99, 7929/2.1=82...(25) H PHE 87 - QG1 VAL 132 poor 17 26 65 - 4.5-5.1 H GLU 91 - QG2 VAL 132 far 0 83 0 - 5.4-6.2 H GLU 91 - QG1 VAL 132 far 0 38 0 - 5.4-6.1 H PHE 87 - QG2 VAL 132 far 0 60 0 - 6.5-7.0 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 - 9.0-9.6 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 2.8-3.0 3.0=100 HB2 GLN 82 - HA VAL 133 far 0 96 0 - 5.6-8.6 Violated in 0 structures by 0.00 A. Peak 4235 from cnoeabs.peaks (0.84, 3.77, 65.08 ppm; 3.48 A): 2 out of 4 assignments used, quality = 1.00: * QG1 VAL 133 + HA VAL 133 OK 100 100 100 100 2.2-2.9 3.2=100 HG13 ILE 80 + HA VAL 133 OK 32 95 35 96 3.4-4.7 2.1/9726=47, ~10588=24...(20) QG2 ILE 80 - HA VAL 133 far 0 76 0 - 4.5-5.2 QG2 ILE 129 - HA VAL 133 far 0 92 0 - 5.4-6.1 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 1.9-2.5 3.2=100 QG1 VAL 77 - HA VAL 133 far 0 83 0 - 8.5-9.0 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 3.4-3.6 3.6=100 H LEU 42 - HA VAL 133 far 0 100 0 - 8.7-9.4 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 1 assignment used, quality = 1.00: * H VAL 133 + HB VAL 133 OK 100 100 100 100 2.1-2.7 4.0=100 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 4 assignments used, quality = 1.00: * HA VAL 133 + HB VAL 133 OK 100 100 100 100 2.8-3.0 3.0=100 HA SER 130 + HB VAL 133 OK 90 92 100 98 2.3-3.3 11861/2.1=52...(12) HA LEU 43 - HB VAL 133 far 0 93 0 - 4.6-5.3 HB3 SER 130 - HB VAL 133 far 0 99 0 - 5.1-5.9 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): 1 out of 4 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 far 5 92 5 - 4.0-5.8 HG13 ILE 80 - HB VAL 133 far 0 95 0 - 5.5-6.3 QG2 ILE 80 - HB VAL 133 far 0 76 0 - 6.7-7.6 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 - 9.1-10.1 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 2.5-3.2 4.6=100 H LEU 42 - HB VAL 133 far 0 100 0 - 6.7-7.8 Violated in 0 structures by 0.00 A. Peak 4245 from cnoeabs.peaks (8.14, 0.84, 22.13 ppm; 3.98 A increased from 3.74 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 133 + QG1 VAL 133 OK 100 100 100 100 3.2-3.8 4.0=98, 7935/2.1=86...(22) H PHE 87 - QG1 VAL 133 far 0 60 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 4246 from cnoeabs.peaks (3.77, 0.84, 22.13 ppm; 3.37 A): 2 out of 6 assignments used, quality = 1.00: * HA VAL 133 + QG1 VAL 133 OK 100 100 100 100 2.2-2.9 3.2=100 HA SER 130 + QG1 VAL 133 OK 35 92 40 95 2.9-4.5 11747/11777=36...(17) HA LEU 43 - QG1 VAL 133 far 5 93 5 - 3.9-5.1 HB3 SER 130 - QG1 VAL 133 far 0 99 0 - 5.2-6.8 HA THR 83 - QG1 VAL 133 far 0 81 0 - 9.0-10.3 HA ARG 90 - QG1 VAL 133 far 0 65 0 - 9.7-10.5 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 2 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 - 6.6-9.4 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 - 7.5-8.5 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 2 assignments used, quality = 1.00: * H GLN 134 + QG1 VAL 133 OK 100 100 100 100 2.4-3.9 7945=94, 7944/2.1=67...(19) H LEU 42 - QG1 VAL 133 far 0 100 0 - 4.8-5.4 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 3 assignments used, quality = 1.00: * H VAL 133 + QG2 VAL 133 OK 100 100 100 100 2.0-3.3 7935=100, 7933/2.1=61...(26) H PHE 87 - QG2 VAL 133 far 0 60 0 - 7.9-8.6 H GLU 91 - QG2 VAL 133 far 0 83 0 - 8.3-9.2 Violated in 1 structures by 0.00 A. Peak 4252 from cnoeabs.peaks (3.77, 1.04, 23.73 ppm; 3.16 A): 2 out of 6 assignments used, quality = 1.00: * HA VAL 133 + QG2 VAL 133 OK 100 100 100 100 1.9-2.5 3.2=96, 3.0/7935=48...(16) HA SER 130 + QG2 VAL 133 OK 81 92 95 93 2.5-3.8 11861=31, 11747/11090=28...(21) HA LEU 43 - QG2 VAL 133 far 0 93 0 - 4.4-5.2 HB3 SER 130 - QG2 VAL 133 far 0 99 0 - 5.0-6.3 HA ARG 90 - QG2 VAL 133 far 0 65 0 - 7.1-8.1 HA THR 83 - QG2 VAL 133 far 0 81 0 - 8.3-9.1 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 - 6.4-8.9 HB3 LEU 69 - QG2 VAL 133 far 0 71 0 - 8.9-9.4 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 6 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 69 95 85 86 2.7-3.7 2.1/10588=35, ~10586=13...(23) QG2 ILE 129 + QG2 VAL 133 OK 61 92 75 89 2.7-3.5 10486/10587=29...(18) QG2 ILE 80 - QG2 VAL 133 far 0 76 0 - 4.4-5.4 QD2 LEU 70 - QG2 VAL 133 far 0 83 0 - 8.1-8.8 QD1 LEU 70 - QG2 VAL 133 far 0 87 0 - 9.0-9.6 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; 4.33 A increased from 3.85 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 134 + QG2 VAL 133 OK 100 100 100 100 3.6-4.3 7946=100, 4250/2.1=81...(18) H LEU 42 - QG2 VAL 133 far 0 100 0 - 5.4-5.9 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 3 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 far 0 87 0 - 5.4-7.8 H LEU 42 - HA GLN 134 far 0 100 0 - 9.7-10.3 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): 1 out of 9 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 far 0 96 0 - 5.3-6.7 HG2 PRO 81 - HA GLN 134 far 0 78 0 - 5.7-7.3 HB2 GLU 44 - HA ASP 47 far 0 91 0 - 7.3-7.8 HB ILE 129 - HA ASP 47 far 0 74 0 - 7.7-8.8 HB3 LEU 53 - HA ASP 47 far 0 54 0 - 7.8-10.0 HB3 GLU 30 - HA LYS 24 far 0 48 0 - 8.1-18.7 HB VAL 20 - HA LYS 24 far 0 35 0 - 8.5-11.7 HB ILE 129 - HA GLN 134 far 0 87 0 - 9.5-10.9 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 9 assignments used, quality = 1.00: * HB3 GLN 134 + HA GLN 134 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 127 - HA ASP 47 far 3 59 5 - 4.3-8.1 HG3 GLN 27 - HA LYS 24 far 0 23 0 - 5.8-14.0 HG2 GLN 27 - HA LYS 24 far 0 31 0 - 6.7-13.1 HG2 GLU 40 - HA GLN 134 far 0 92 0 - 7.7-11.9 HG3 GLU 30 - HA LYS 24 far 0 48 0 - 7.8-19.0 HG2 GLU 44 - HA ASP 47 far 0 88 0 - 8.0-9.5 HG3 GLN 68 - HA ASP 47 far 0 89 0 - 9.2-10.2 HB3 GLN 134 - HA ASP 47 far 0 91 0 - 9.9-11.9 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 2.5-3.7 4287=91, 1.8/4296=77...(18) HB2 ASP 35 - HA LYS 24 far 0 28 0 - 7.3-18.1 HG2 GLN 134 - HA ASP 47 far 0 91 0 - 8.4-10.0 HB2 ASP 71 - HA LYS 24 far 0 33 0 - 9.7-23.4 Violated in 0 structures by 0.00 A. Peak 4262 from cnoeabs.peaks (2.08, 4.35, 56.69 ppm; 3.91 A increased from 3.68 A): 1 out of 10 assignments used, quality = 1.00: * HG3 GLN 134 + HA GLN 134 OK 100 100 100 100 2.4-3.8 4296=100, 1.8/4261=78...(15) HG3 PRO 81 - HA GLN 134 far 0 57 0 - 5.3-7.0 HB2 GLN 127 - HA ASP 47 far 0 59 0 - 5.4-7.5 HB3 LYS 39 - HA GLN 134 far 0 100 0 - 5.9-6.8 HB VAL 126 - HA ASP 47 far 0 63 0 - 6.2-6.7 HB3 GLN 27 - HA LYS 24 far 0 33 0 - 6.9-13.5 HB3 GLN 82 - HA GLN 134 far 0 97 0 - 6.9-10.8 HB3 GLU 44 - HA ASP 47 far 0 90 0 - 7.9-8.2 HG3 GLN 134 - HA ASP 47 far 0 91 0 - 8.6-10.2 HB2 GLU 128 - HA ASP 47 far 0 91 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 4263 from cnoeabs.peaks (6.89, 4.35, 56.69 ppm; 6.11 A increased from 5.43 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 134 + HA GLN 134 OK 100 100 100 100 4.9-6.0 5.4=100 HE21 GLN 134 - HA ASP 47 far 0 91 0 - 7.4-9.2 Violated in 0 structures by 0.00 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 2.9-3.5 3.6=100 HZ PHE 89 - HA GLN 134 far 0 99 0 - 9.0-10.9 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 1 assignment used, quality = 1.00: * HA ASP 131 + HB2 GLN 134 OK 100 100 100 100 2.9-4.6 4193=100, 4194/1.8=94...(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 1 assignment used, quality = 1.00: * H GLN 134 + HB2 GLN 134 OK 100 100 100 100 2.6-3.6 4.0=100 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 1 assignment used, quality = 1.00: * HA GLN 134 + HB2 GLN 134 OK 100 100 100 100 2.4-3.0 3.0=100 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 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 40 - HB2 GLN 134 far 0 92 0 - 8.4-13.3 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 2.8-3.0 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 4 assignments used, quality = 1.00: * HG3 GLN 134 + HB2 GLN 134 OK 100 100 100 100 2.2-2.9 2.9=100 HB3 LYS 39 - HB2 GLN 134 far 0 100 0 - 7.5-9.2 HG3 PRO 81 - HB2 GLN 134 far 0 57 0 - 7.6-9.7 HB3 GLN 82 - HB2 GLN 134 far 0 97 0 - 9.3-12.4 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 2.5-4.6 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 3.2-4.3 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 1 assignment used, quality = 1.00: * HA ASP 131 + HB3 GLN 134 OK 100 100 100 100 2.8-5.0 4194=100, 4193/1.8=95...(9) Violated in 0 structures by 0.00 A. Peak 4277 from cnoeabs.peaks (7.49, 2.33, 30.54 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 134 + HB3 GLN 134 OK 100 100 100 100 2.4-3.6 4.0=100 H LEU 42 - HB3 GLN 134 far 0 100 0 - 9.1-11.6 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 2 assignments used, quality = 1.00: * HA GLN 134 + HB3 GLN 134 OK 100 100 100 100 2.2-3.0 3.0=100 HA ASP 47 - HB3 GLN 134 far 0 97 0 - 9.9-11.9 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 5 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 - 4.7-8.1 HG2 PRO 81 - HB3 GLN 134 far 0 78 0 - 7.7-9.8 HB ILE 129 - HB3 GLN 134 far 0 87 0 - 8.4-10.4 HB3 GLU 40 - HB3 GLN 134 far 0 92 0 - 9.3-12.5 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 2.3-2.9 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 5 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 0 100 0 - 6.2-9.1 HG3 PRO 81 - HB3 GLN 134 far 0 57 0 - 7.8-9.4 HB3 GLN 82 - HB3 GLN 134 far 0 97 0 - 9.1-12.5 HB2 GLN 127 - HB3 GLN 134 far 0 71 0 - 9.7-11.9 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 1 assignment used, quality = 1.00: * HE22 GLN 134 + HB3 GLN 134 OK 100 100 100 100 2.0-4.6 4.3=100 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 3.0-4.7 4.4=100 HZ PHE 89 - HB3 GLN 134 far 0 99 0 - 9.8-12.2 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 2 assignments used, quality = 1.00: * H GLN 134 + HG2 GLN 134 OK 100 100 100 100 2.1-2.8 7950=100, 7951/1.8=87...(19) H LEU 42 - HG2 GLN 134 far 0 100 0 - 8.6-9.3 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 2 assignments used, quality = 1.00: * HA GLN 134 + HG2 GLN 134 OK 100 100 100 100 2.5-3.7 4261=100, 4296/1.8=81...(18) HA ASP 47 - HG2 GLN 134 far 0 97 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. Peak 4288 from cnoeabs.peaks (2.02, 2.65, 35.91 ppm; 4.12 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 134 + HG2 GLN 134 OK 100 100 100 100 2.8-3.0 2.9=100 HG3 ARG 135 - HG2 GLN 134 far 0 96 0 - 6.2-7.9 HB ILE 129 - HG2 GLN 134 far 0 87 0 - 7.2-8.2 HG2 PRO 81 - HG2 GLN 134 far 0 78 0 - 8.2-10.0 HB3 GLU 40 - HG2 GLN 134 far 0 92 0 - 9.5-10.7 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 4 assignments used, quality = 1.00: * HB3 GLN 134 + HG2 GLN 134 OK 100 100 100 100 2.3-2.9 2.9=100 HG2 GLU 40 - HG2 GLN 134 far 0 92 0 - 8.0-11.3 HG2 GLN 127 - HG2 GLN 134 far 0 71 0 - 8.8-11.1 HG2 GLU 44 - HG2 GLN 134 far 0 99 0 - 9.6-11.3 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 6 assignments used, quality = 1.00: * HG3 GLN 134 + HG2 GLN 134 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 39 - HG2 GLN 134 far 0 100 0 - 5.7-8.1 HG3 PRO 81 - HG2 GLN 134 far 0 57 0 - 7.3-9.5 HB2 GLN 127 - HG2 GLN 134 far 0 71 0 - 9.0-10.9 HB3 GLN 82 - HG2 GLN 134 far 0 97 0 - 9.6-12.9 HB2 GLU 128 - HG2 GLN 134 far 0 100 0 - 9.9-11.4 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 3.4-3.9 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 1 assignment used, quality = 1.00: * HE22 GLN 134 + HG2 GLN 134 OK 100 100 100 100 2.1-3.1 3.5=100 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 4.4-4.9 4.9=100 HZ PHE 89 - HG2 GLN 134 far 0 99 0 - 8.3-9.9 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 2 assignments used, quality = 1.00: * H GLN 134 + HG3 GLN 134 OK 100 100 100 100 1.9-3.7 7951=100, 7950/1.8=86...(16) H LEU 42 - HG3 GLN 134 far 0 100 0 - 9.0-11.0 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 2 assignments used, quality = 1.00: * HA GLN 134 + HG3 GLN 134 OK 100 100 100 100 2.4-3.8 4262=92, 4261/1.8=75...(15) HA ASP 47 - HG3 GLN 134 far 0 97 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. Peak 4297 from cnoeabs.peaks (2.02, 2.08, 35.91 ppm; 4.35 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 134 + HG3 GLN 134 OK 100 100 100 100 2.2-2.9 2.9=100 HG3 ARG 135 - HG3 GLN 134 far 0 96 0 - 5.2-8.4 HB ILE 129 - HG3 GLN 134 far 0 87 0 - 7.6-9.0 HG2 PRO 81 - HG3 GLN 134 far 0 78 0 - 8.4-10.4 HB3 GLU 40 - HG3 GLN 134 far 0 92 0 - 9.0-12.4 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 GLN 127 - HG3 GLN 134 far 0 71 0 - 9.0-11.0 HG2 GLU 44 - HG3 GLN 134 far 0 99 0 - 9.5-12.9 HG2 GLU 40 - HG3 GLN 134 far 0 92 0 - 9.5-12.9 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 3.4-4.1 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 1 assignment used, quality = 1.00: * HE22 GLN 134 + HG3 GLN 134 OK 100 100 100 100 2.1-3.6 3.5=100 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 3.7-5.1 4.9=100 HZ PHE 89 - HG3 GLN 134 far 0 99 0 - 8.8-10.7 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 2.7-2.8 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 2.4-3.0 3.0=100 HB3 ARG 84 - HA ARG 135 far 0 100 0 - 8.6-10.5 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 2 assignments used, quality = 1.00: * HB3 ARG 135 + HA ARG 135 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 ARG 84 - HA ARG 135 far 0 98 0 - 7.5-10.7 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 2 assignments used, quality = 1.00: * HG2 ARG 135 + HA ARG 135 OK 100 100 100 100 2.4-3.6 4329=69, 1.8/4309=57...(15) HD3 LYS 39 - HA ARG 135 far 0 100 0 - 7.3-9.7 Violated in 1 structures by 0.02 A. Peak 4309 from cnoeabs.peaks (2.03, 4.02, 58.76 ppm; 3.78 A increased from 3.36 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 135 + HA ARG 135 OK 100 100 100 100 3.1-3.8 1.8/4308=86, 4.2=75...(14) HB2 GLN 134 - HA ARG 135 far 10 96 10 - 4.2-4.9 HG3 PRO 81 - HA ARG 135 far 0 85 0 - 6.9-9.4 QE MET 11 - HA ARG 135 far 0 99 0 - 8.9-45.9 Violated in 1 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 2.1-4.4 4345=100, 3.0/4308=85...(18) HE3 LYS 39 - HA ARG 135 far 0 97 0 - 6.2-8.9 HE2 LYS 39 - HA ARG 135 far 0 99 0 - 6.9-10.3 Violated in 0 structures by 0.00 A. Peak 4311 from cnoeabs.peaks (3.23, 4.02, 58.76 ppm; 4.90 A): 1 out of 4 assignments used, quality = 1.00: * HD3 ARG 135 + HA ARG 135 OK 100 100 100 100 3.3-4.4 4353=100, 3.0/4308=92...(17) HB2 HIS 5 - HA ARG 135 far 5 100 5 - 5.1-68.5 HB3 HIS 8 - HA ARG 135 far 0 73 0 - 6.7-57.9 HB3 HIS 4 - HA ARG 135 far 0 100 0 - 7.4-72.5 Violated in 0 structures by 0.00 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 2.6-3.6 4.0=100 QD PHE 87 - HB2 ARG 135 far 0 100 0 - 9.2-12.0 HZ PHE 89 - HB2 ARG 135 far 0 99 0 - 9.5-13.2 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 2.4-3.0 3.0=100 HD3 PRO 81 - HB2 ARG 135 far 0 83 0 - 6.4-11.0 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 - 5.1-8.3 HB2 LYS 86 - HB2 ARG 135 far 0 76 0 - 9.9-12.4 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 3 assignments used, quality = 1.00: * HG2 ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 39 - HB2 ARG 135 far 0 100 0 - 6.8-10.7 HB ILE 80 - HB2 ARG 135 far 0 65 0 - 7.9-11.3 Violated in 0 structures by 0.00 A. Peak 4317 from cnoeabs.peaks (2.03, 1.90, 31.04 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 GLN 134 + HB2 ARG 135 OK 94 96 100 98 6.3-7.0 4.4/7981=96, ~11779=19...(4) HG3 PRO 81 - HB2 ARG 135 lone 1 85 25 3 5.1-9.0 QE MET 11 - HB2 ARG 135 far 0 99 0 - 7.7-45.5 HB3 MET 11 - HB2 ARG 135 far 0 97 0 - 8.2-51.4 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 2.0-4.2 3.7=100 HE3 LYS 39 - HB2 ARG 135 far 0 97 0 - 7.1-10.6 HE2 LYS 39 - HB2 ARG 135 far 0 99 0 - 7.5-11.7 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 6 assignments used, quality = 1.00: * HD3 ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.0-3.7 3.7=100 HB2 HIS 5 - HB2 ARG 135 far 0 100 0 - 6.9-68.5 HB3 HIS 8 - HB2 ARG 135 far 0 73 0 - 7.5-58.6 HB2 PHE 87 - HB2 ARG 135 far 0 100 0 - 9.6-12.8 HB3 HIS 4 - HB2 ARG 135 far 0 100 0 - 9.8-73.3 HB3 PHE 87 - HB2 ARG 135 far 0 100 0 - 9.9-13.6 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 4 assignments used, quality = 1.00: * H ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.5-3.6 4.0=100 HZ PHE 89 - HB VAL 93 far 0 62 0 - 5.7-6.9 QD PHE 87 - HB VAL 93 far 0 63 0 - 8.9-9.5 QD PHE 87 - HB3 ARG 135 far 0 100 0 - 9.2-11.9 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 5 assignments used, quality = 1.00: * HA ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.5-3.0 3.0=100 HA ALA 92 - HB VAL 93 far 0 30 0 - 5.6-5.7 HD3 PRO 81 - HB3 ARG 135 far 0 83 0 - 6.9-9.3 HA LYS 95 - HB VAL 93 far 0 64 0 - 7.4-7.6 HA LEU 96 - HB VAL 93 far 0 40 0 - 7.7-7.9 Violated in 0 structures by 0.00 A. Peak 4322 from cnoeabs.peaks (1.90, 1.82, 31.04 ppm; 3.50 A): 1 out of 4 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 far 0 59 0 - 4.7-5.2 HB3 ARG 84 - HB3 ARG 135 far 0 100 0 - 6.3-8.5 HB2 MET 11 - HB VAL 93 far 0 45 0 - 7.0-39.5 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): 1 out of 8 assignments used, quality = 1.00: * HG2 ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 ARG 90 - HB VAL 93 far 7 44 15 - 3.3-5.8 HD3 LYS 39 - HB3 ARG 135 far 0 100 0 - 6.9-9.5 HB2 LEU 70 - HB VAL 93 far 0 65 0 - 7.9-8.5 HB ILE 80 - HB3 ARG 135 far 0 65 0 - 8.1-9.9 HG LEU 98 - HB VAL 93 far 0 65 0 - 8.5-10.0 HB3 LEU 70 - HB VAL 93 far 0 64 0 - 8.5-9.2 HB ILE 80 - HB VAL 93 far 0 35 0 - 9.4-9.9 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 9 assignments used, quality = 1.00: * HG3 ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.2-2.6 2.9=100 HG2 ARG 90 - HB VAL 93 far 6 60 10 - 4.1-5.1 HG3 PRO 81 - HB3 ARG 135 far 0 85 0 - 5.3-7.4 HB2 GLN 134 - HB3 ARG 135 far 0 96 0 - 5.7-7.1 HB3 GLU 91 - HB VAL 93 far 0 65 0 - 7.2-7.6 QE MET 11 - HB VAL 93 far 0 62 0 - 8.0-34.8 HB3 MET 11 - HB VAL 93 far 0 60 0 - 8.4-39.1 QE MET 11 - HB3 ARG 135 far 0 99 0 - 8.5-44.5 HB3 MET 11 - HB3 ARG 135 far 0 97 0 - 9.2-50.2 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 8 assignments used, quality = 1.00: * HD2 ARG 135 + HB3 ARG 135 OK 100 100 100 100 3.1-4.1 3.7=100 HG CYS 73 - HB VAL 93 far 0 64 0 - 5.8-6.7 HE3 LYS 39 - HB3 ARG 135 far 0 97 0 - 5.8-10.2 HE2 LYS 39 - HB3 ARG 135 far 0 99 0 - 6.6-10.5 HE3 LYS 19 - HB VAL 93 far 0 37 0 - 7.2-42.1 HE2 LYS 19 - HB VAL 93 far 0 47 0 - 7.5-41.7 HE3 LYS 86 - HB VAL 93 far 0 45 0 - 8.5-11.1 HE3 LYS 86 - HB3 ARG 135 far 0 81 0 - 9.6-13.2 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 9 assignments used, quality = 1.00: * HD3 ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.2-4.2 3.7=100 HA VAL 93 + HB VAL 93 OK 51 51 100 100 3.0-3.0 3.0=100 HB3 CYS 125 - HB VAL 93 far 0 32 0 - 6.4-8.9 HB2 HIS 5 - HB3 ARG 135 far 0 100 0 - 8.0-67.3 HB3 HIS 8 - HB3 ARG 135 far 0 73 0 - 8.6-57.4 HB3 PHE 87 - HB VAL 93 far 0 65 0 - 9.6-10.1 HB2 PHE 87 - HB3 ARG 135 far 0 100 0 - 9.7-12.5 HB3 HIS 4 - HB3 ARG 135 far 0 100 0 - 9.7-72.1 HB3 HIS 10 - HB VAL 93 far 0 45 0 - 9.9-38.3 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 3 assignments used, quality = 1.00: * H ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.1-3.8 7983=100, 7984/1.8=85...(26) QD PHE 87 - HG2 ARG 135 far 0 100 0 - 7.5-12.3 HZ PHE 89 - HG2 ARG 135 far 0 99 0 - 9.4-12.0 Violated in 0 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 2.4-3.6 4308=100, 4309/1.8=72...(15) HD3 PRO 81 - HG2 ARG 135 far 0 83 0 - 7.6-10.6 Violated in 0 structures by 0.00 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 2.3-3.0 2.9=100 HB3 ARG 84 - HG2 ARG 135 far 0 100 0 - 5.5-9.2 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 2.4-3.0 2.9=100 HB2 ARG 84 - HG2 ARG 135 far 0 98 0 - 4.6-9.5 HB2 LYS 86 - HG2 ARG 135 far 0 76 0 - 8.9-12.3 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 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 far 0 96 0 - 4.4-7.8 HG3 PRO 81 - HG2 ARG 135 far 0 85 0 - 6.4-9.3 QE MET 11 - HG2 ARG 135 far 0 99 0 - 7.8-43.9 HB3 MET 11 - HG2 ARG 135 far 0 97 0 - 9.7-49.6 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 2.3-3.0 3.0=100 HE3 LYS 39 - HG2 ARG 135 far 0 97 0 - 6.5-9.2 HE2 LYS 39 - HG2 ARG 135 far 0 99 0 - 6.6-10.2 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 6 assignments used, quality = 1.00: * HD3 ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 HIS 8 - HG2 ARG 135 far 0 73 0 - 7.1-55.8 HB2 HIS 5 - HG2 ARG 135 far 0 100 0 - 7.9-65.9 HB3 HIS 4 - HG2 ARG 135 far 0 100 0 - 9.5-70.5 HB2 PHE 87 - HG2 ARG 135 far 0 100 0 - 9.5-11.8 HB3 PHE 87 - HG2 ARG 135 far 0 100 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 4336 from cnoeabs.peaks (7.31, 2.03, 27.30 ppm; 4.13 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.3-3.6 7984=100, 7983/1.8=93...(23) H ARG 135 - HG3 PRO 81 far 0 61 0 - 5.6-7.6 QD PHE 87 - HG3 ARG 135 far 0 100 0 - 8.0-11.0 HZ PHE 89 - HG3 PRO 81 far 0 59 0 - 9.0-10.8 HZ PHE 89 - HG3 ARG 135 far 0 99 0 - 9.5-11.2 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 8 assignments used, quality = 1.00: * HA ARG 135 + HG3 ARG 135 OK 100 100 100 100 3.1-3.8 4309=100, 4308/1.8=88...(14) HD3 PRO 81 + HG3 PRO 81 OK 44 44 100 100 2.3-3.0 2.3=100 HA ARG 135 - HG3 PRO 81 far 0 61 0 - 6.9-9.4 HD3 PRO 81 - HG3 ARG 135 far 0 83 0 - 7.9-9.3 HB3 SER 99 - HG3 PRO 117 far 0 58 0 - 8.0-9.4 HA LEU 103 - HG3 PRO 117 far 0 65 0 - 8.5-9.2 HA LEU 119 - HG3 PRO 117 far 0 62 0 - 9.1-9.3 HB2 SER 38 - HG3 PRO 81 far 0 61 0 - 9.8-12.3 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 5 assignments used, quality = 1.00: * HB2 ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 135 - HG3 PRO 81 far 0 61 0 - 5.1-9.0 HB3 ARG 84 - HG3 ARG 135 far 0 100 0 - 6.1-8.3 HB3 ARG 84 - HG3 PRO 81 far 0 61 0 - 8.6-12.3 HB2 MET 11 - HG3 ARG 135 far 0 81 0 - 9.8-49.4 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 8 assignments used, quality = 1.00: * HB3 ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.2-2.6 2.9=100 HB2 ARG 84 - HG3 ARG 135 far 0 98 0 - 5.2-8.1 HB3 ARG 135 - HG3 PRO 81 far 0 61 0 - 5.3-7.4 HB2 CYS 79 - HG3 PRO 81 far 0 43 0 - 6.3-8.2 HB2 ARG 84 - HG3 PRO 81 far 0 58 0 - 7.1-10.6 HB2 LYS 86 - HG3 PRO 81 far 0 39 0 - 7.6-11.1 HB2 LYS 86 - HG3 ARG 135 far 0 76 0 - 8.4-10.6 HB3 LYS 19 - HG3 PRO 81 far 0 60 0 - 9.6-37.9 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 6 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 far 3 61 5 - 3.7-7.5 HB ILE 80 - HG3 PRO 81 far 0 33 0 - 5.8-7.0 HG2 ARG 135 - HG3 PRO 81 far 0 61 0 - 6.4-9.3 HD3 LYS 39 - HG3 ARG 135 far 0 100 0 - 7.9-10.3 HB ILE 80 - HG3 ARG 135 far 0 65 0 - 8.3-9.7 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): 1 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 HE2 LYS 39 - HG3 PRO 81 far 9 59 15 - 4.6-9.3 HB3 ASN 116 - HG3 PRO 117 far 3 64 5 - 4.9-6.0 HE3 LYS 39 - HG3 PRO 81 far 0 56 0 - 5.1-8.9 HE3 LYS 39 - HG3 ARG 135 far 0 97 0 - 6.8-10.3 HE2 LYS 39 - HG3 ARG 135 far 0 99 0 - 7.0-10.6 HE3 LYS 86 - HG3 PRO 81 far 0 43 0 - 7.2-12.1 HD2 ARG 135 - HG3 PRO 81 far 0 61 0 - 8.1-11.0 HE3 LYS 86 - HG3 ARG 135 far 0 81 0 - 8.7-11.9 HE3 LYS 19 - HG3 PRO 81 far 0 35 0 - 9.1-41.4 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 8 assignments used, quality = 1.00: * HD3 ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 HIS 5 - HG3 PRO 117 far 3 65 5 - 5.0-61.5 HB3 HIS 8 - HG3 ARG 135 far 0 73 0 - 7.2-56.2 HD3 ARG 135 - HG3 PRO 81 far 0 61 0 - 7.9-10.8 HB3 HIS 4 - HG3 PRO 117 far 0 65 0 - 8.3-62.6 HB2 PHE 87 - HG3 ARG 135 far 0 100 0 - 8.3-10.7 HB3 PHE 87 - HG3 ARG 135 far 0 100 0 - 8.4-11.4 HB2 HIS 5 - HG3 ARG 135 far 0 100 0 - 8.4-66.1 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 2 assignments used, quality = 1.00: * H ARG 135 + HD2 ARG 135 OK 100 100 100 100 3.1-4.8 6.2=100 QD PHE 87 - HD2 ARG 135 far 0 100 0 - 8.5-11.1 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 2.1-4.4 5.0=100 HD3 PRO 81 - HD2 ARG 135 far 0 83 0 - 9.9-12.2 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 3 assignments used, quality = 1.00: * HB2 ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.0-4.2 3.7=100 HB3 ARG 84 - HD2 ARG 135 far 0 100 0 - 5.4-9.6 HB2 MET 11 - HD2 ARG 135 far 0 81 0 - 7.5-51.5 Violated in 1 structures by 0.01 A. Peak 4347 from cnoeabs.peaks (1.82, 2.94, 44.19 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 135 + HD2 ARG 135 OK 100 100 100 100 3.1-4.1 3.7=100 HB2 ARG 84 - HD2 ARG 135 far 5 98 5 - 4.7-8.8 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 2 assignments used, quality = 1.00: * HG2 ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 - HD2 ARG 135 far 0 100 0 - 9.0-12.2 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 6 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 0 96 0 - 5.7-8.4 QE MET 11 - HD2 ARG 135 far 0 99 0 - 6.0-45.1 HB3 MET 11 - HD2 ARG 135 far 0 97 0 - 6.8-50.9 HG3 PRO 81 - HD2 ARG 135 far 0 85 0 - 8.1-11.0 HB2 GLN 127 - HD2 ARG 135 far 0 73 0 - 10.0-14.0 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 7 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 8 - HD2 ARG 135 far 0 73 0 - 5.1-58.3 HB2 HIS 5 - HD2 ARG 135 far 0 100 0 - 6.0-68.3 HB3 HIS 4 - HD2 ARG 135 far 0 100 0 - 8.6-73.0 HB3 PHE 87 - HD2 ARG 135 far 0 100 0 - 8.8-13.5 HB2 PHE 87 - HD2 ARG 135 far 0 100 0 - 8.8-13.0 HB3 HIS 10 - HD2 ARG 135 far 0 81 0 - 9.5-51.5 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 2 assignments used, quality = 1.00: * H ARG 135 + HD3 ARG 135 OK 100 100 100 100 4.3-4.9 7986=100, 7983/3.0=96...(26) QD PHE 87 - HD3 ARG 135 far 0 100 0 - 7.7-11.1 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 3.3-4.4 5.0=100 HD3 PRO 81 - HD3 ARG 135 far 0 83 0 - 9.8-11.5 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 3 assignments used, quality = 1.00: * HB2 ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.0-3.7 3.7=100 HB3 ARG 84 - HD3 ARG 135 far 0 100 0 - 5.7-8.1 HB2 MET 11 - HD3 ARG 135 far 0 81 0 - 8.2-50.0 Violated in 0 structures by 0.00 A. Peak 4355 from cnoeabs.peaks (1.82, 3.23, 44.19 ppm; 4.21 A increased from 3.97 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.2-4.2 3.7=100 HB2 ARG 84 - HD3 ARG 135 far 0 98 0 - 5.0-7.5 HB2 LYS 86 - HD3 ARG 135 far 0 76 0 - 9.7-11.5 Violated in 2 structures by 0.00 A. Peak 4356 from cnoeabs.peaks (1.71, 3.23, 44.19 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.4-3.0 3.0=100 HB ILE 80 - HD3 ARG 135 far 0 65 0 - 9.7-11.4 HD3 LYS 39 - HD3 ARG 135 far 0 100 0 - 9.9-12.2 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 5 assignments used, quality = 1.00: * HG3 ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 QE MET 11 - HD3 ARG 135 far 0 99 0 - 5.7-43.8 HB2 GLN 134 - HD3 ARG 135 far 0 96 0 - 6.9-8.6 HB3 MET 11 - HD3 ARG 135 far 0 97 0 - 7.6-49.4 HG3 PRO 81 - HD3 ARG 135 far 0 85 0 - 7.9-10.8 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 3 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 - 8.8-11.7 HE2 LYS 39 - HD3 ARG 135 far 0 99 0 - 8.8-12.6 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 3 assignments used, quality = 1.00: * HA HIS 67 + HD2 HIS 67 OK 100 100 100 100 2.1-2.2 2096=100, 2.9/6870=61...(10) HA SER 99 - HD2 HIS 67 far 0 100 0 - 8.9-9.5 HA SER 94 - HD2 HIS 67 far 0 92 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 5502 from cnoeabs.peaks (3.34, 7.15, 118.65 ppm; 5.25 A): 2 out of 3 assignments used, quality = 1.00: * HB2 HIS 67 + HD2 HIS 67 OK 100 100 100 100 3.5-3.8 4.0=100 HA VAL 63 + HD2 HIS 67 OK 73 73 100 99 5.0-5.5 3.2/9470=87...(8) HB3 CYS 73 - HD2 HIS 67 far 0 81 0 - 10.0-10.9 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 1 assignment used, quality = 1.00: * HB3 HIS 67 + HD2 HIS 67 OK 100 100 100 100 3.6-3.8 4.0=100 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 2.0-2.6 3.4=100 HA SER 38 - QD TYR 72 far 0 97 0 - 6.9-7.5 HA ASP 35 - QD TYR 72 far 0 63 0 - 9.0-9.3 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 2.3-2.6 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): 2 out of 3 assignments used, quality = 1.00: * HB3 TYR 72 + QD TYR 72 OK 100 100 100 100 2.3-2.7 2.7=100 HB3 CYS 73 + QD TYR 72 OK 85 85 100 100 6.9-7.3 3.8/6996=86, ~9529=54...(12) HB2 HIS 67 - QD TYR 72 far 0 100 0 - 7.5-8.5 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 1 assignment used, quality = 1.00: * QE TYR 72 + QD TYR 72 OK 100 100 100 100 2.2-2.2 2.2=100 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 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 0 100 0 - 9.6-10.7 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): 2 out of 4 assignments used, quality = 1.00: * HB2 TYR 76 + QD TYR 76 OK 100 100 100 100 2.3-2.5 2.6=100 HB2 CYS 73 + QD TYR 76 OK 77 97 80 100 6.4-7.6 3.0/11146=93, ~11160=68...(10) HB3 ASP 78 - QD TYR 76 far 0 81 0 - 7.7-8.0 HB3 ASP 35 - QD TYR 76 far 0 98 0 - 9.1-10.1 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 2.3-2.5 2.6=100 HB3 CYS 45 - QD TYR 76 far 0 100 0 - 9.3-10.1 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 7 assignments used, quality = 1.00: * HA PHE 87 + QD PHE 87 OK 100 100 100 100 2.9-3.6 3.7=100 HA ARG 84 + QD PHE 87 OK 86 89 100 97 2.1-4.8 9782/9776=59...(12) HA ALA 12 - QD PHE 87 far 8 83 10 - 4.1-38.5 HA ALA 16 - QD PHE 87 far 5 97 5 - 5.6-39.1 HA ALA 15 - QD PHE 87 far 0 83 0 - 6.4-39.8 HA THR 18 - QD PHE 87 far 0 65 0 - 7.7-34.3 HA ALA 21 - QD PHE 87 far 0 71 0 - 9.7-31.1 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 4 assignments used, quality = 1.00: * HB2 PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-2.4 2.5=100 HB3 PHE 87 + QD PHE 87 OK 100 100 100 100 2.4-2.5 2.5=100 HB3 HIS 10 - QD PHE 87 far 0 71 0 - 6.3-43.0 HD3 ARG 135 - QD PHE 87 far 0 100 0 - 7.7-11.1 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 4 assignments used, quality = 1.00: * HB3 PHE 87 + QD PHE 87 OK 100 100 100 100 2.4-2.5 2.5=100 HB2 PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-2.4 2.5=100 HB3 HIS 10 - QD PHE 87 far 0 81 0 - 6.3-43.0 HD3 ARG 135 - QD PHE 87 far 0 100 0 - 7.7-11.1 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 5 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 - 3.3-9.0 H ASN 85 - QD PHE 87 far 0 100 0 - 4.6-6.9 HD21 ASN 85 - QD PHE 87 far 0 73 0 - 6.7-10.6 HD2 HIS 10 - QD PHE 87 far 0 99 0 - 8.5-46.3 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 2 assignments used, quality = 1.00: * QD PHE 87 + QE PHE 87 OK 100 100 100 100 2.2-2.2 2.2=100 H ARG 135 - QE PHE 87 far 0 100 0 - 9.8-15.1 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 5 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 - 5.0-13.0 H ASN 85 - HZ PHE 87 far 0 100 0 - 6.6-11.2 HD21 ASN 85 - HZ PHE 87 far 0 73 0 - 7.2-15.4 HD2 HIS 10 - HZ PHE 87 far 0 99 0 - 7.7-54.3 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 2.6-3.2 3.1=100 HB2 SER 74 + QD PHE 89 OK 26 87 55 54 6.5-7.8 11187/9674=38, ~11364=18 HB3 SER 74 + QD PHE 89 OK 21 89 45 53 6.8-8.0 11187/9674=39, 11364/2.2=22 HA CYS 79 - QD PHE 89 far 0 83 0 - 8.7-9.2 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 2.3-2.5 2.7=100 HB3 CYS 73 + QD PHE 89 OK 99 99 100 100 3.7-4.4 ~11145=83, ~11124=78...(12) HB3 PHE 89 + QD PHE 89 OK 85 85 100 100 2.3-2.6 2.7=100 HB3 TYR 72 - QD PHE 89 far 0 68 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 5536 from cnoeabs.peaks (3.33, 7.07, 131.30 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HB3 PHE 89 + QD PHE 89 OK 100 100 100 100 2.3-2.6 2.7=100 HB3 CYS 73 + QD PHE 89 OK 96 96 100 100 3.7-4.4 ~11145=83, ~11124=78...(12) HB2 PHE 89 + QD PHE 89 OK 85 85 100 100 2.3-2.5 2.7=100 HB3 TYR 72 - QD PHE 89 far 0 99 0 - 7.5-8.0 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 - 8.5-10.9 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): 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 ARG 135 - QE PHE 89 far 5 99 5 - 6.5-8.0 QD PHE 87 - QE PHE 89 far 0 96 0 - 9.3-10.0 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 2.6-3.1 4.1/10826=66...(18) QD1 LEU 100 - QG2 ILE 37 far 0 100 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 9003 from cnoeabs.peaks (4.23, 1.97, 38.06 ppm; 4.14 A): 1 out of 2 assignments used, quality = 0.99: HA ALA 34 + HB ILE 37 OK 99 99 100 100 3.2-3.7 10789=98, 10873/3.2=65...(9) HB3 SER 38 - HB ILE 37 far 0 97 0 - 5.3-6.4 Violated in 0 structures by 0.00 A. Peak 9004 from cnoeabs.peaks (4.23, 0.94, 17.33 ppm; 4.52 A): 2 out of 2 assignments used, quality = 0.99: HA ALA 34 + QG2 ILE 37 OK 97 97 100 100 4.3-4.5 10872=96, 10789/2.1=86...(12) HB3 SER 38 + QG2 ILE 37 OK 76 96 80 99 4.5-5.3 3.9/6423=65...(12) Violated in 0 structures by 0.00 A. Peak 9005 from cnoeabs.peaks (4.22, 1.28, 27.60 ppm; 4.71 A): 1 out of 4 assignments used, quality = 1.00: HA ALA 34 + HG12 ILE 37 OK 100 100 100 100 1.9-3.4 10871=99, 10873/2.1=94...(12) HB3 SER 38 - HG12 ILE 37 far 0 100 0 - 6.7-8.2 HA ALA 29 - HG12 ILE 37 far 0 98 0 - 9.2-10.4 HB THR 25 - HG12 ILE 37 far 0 87 0 - 9.5-17.4 Violated in 0 structures by 0.00 A. Peak 9006 from cnoeabs.peaks (4.22, 1.56, 27.60 ppm; 4.67 A): 1 out of 3 assignments used, quality = 1.00: HA ALA 34 + HG13 ILE 37 OK 100 100 100 100 2.3-4.3 10790=100, 10873/2.1=94...(12) HB3 SER 38 - HG13 ILE 37 far 0 100 0 - 7.1-8.6 HB THR 25 - HG13 ILE 37 far 0 73 0 - 8.8-18.9 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 6 assignments used, quality = 1.00: HA ALA 29 + QD1 ILE 32 OK 100 100 100 100 1.9-2.2 2.1/10739=66, 10737=57...(16) HA ALA 28 + QD1 ILE 32 OK 29 97 55 54 2.6-5.2 10737=17, 3.6/934=17...(7) HA GLN 27 - QD1 ILE 32 poor 18 89 20 - 1.9-5.8 HB THR 25 - QD1 ILE 32 far 4 71 5 - 3.9-8.5 HA GLU 30 - QD1 ILE 32 far 0 100 0 - 5.8-6.4 HA ALA 34 - QD1 ILE 32 far 0 100 0 - 6.1-7.1 Violated in 0 structures by 0.00 A. Peak 9008 from cnoeabs.peaks (2.97, 0.78, 12.54 ppm; 4.31 A): 2 out of 8 assignments used, quality = 1.00: HE2 LYS 26 + QD1 ILE 32 OK 99 100 100 99 1.9-4.6 10766/930=58, ~10767=35...(56) HE3 LYS 26 + QD1 ILE 32 OK 95 100 95 100 3.0-5.3 ~10766=36, ~10840=36...(86) HE3 LYS 31 - QD1 ILE 32 far 0 100 0 - 6.8-10.2 HE2 LYS 31 - QD1 ILE 32 far 0 100 0 - 7.1-10.3 HE3 LYS 36 - QD1 ILE 32 far 0 100 0 - 8.2-9.8 HE2 LYS 19 - QD1 ILE 32 far 0 99 0 - 8.5-21.8 HE2 LYS 36 - QD1 ILE 32 far 0 98 0 - 8.5-10.0 HE3 LYS 19 - QD1 ILE 32 far 0 100 0 - 9.7-22.8 Violated in 1 structures by 0.00 A. Peak 9009 from cnoeabs.peaks (2.31, 0.78, 12.54 ppm; 4.20 A): 0 out of 2 assignments used, quality = 0.00: HG3 GLU 30 - QD1 ILE 32 far 0 83 0 - 6.5-6.9 HG2 GLU 30 - QD1 ILE 32 far 0 73 0 - 6.7-7.5 Violated in 20 structures by 1.91 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 2.0-4.1 1.8/10825=99...(30) Violated in 0 structures by 0.00 A. Peak 9011 from cnoeabs.peaks (3.11, 0.94, 17.33 ppm; 5.76 A): 1 out of 2 assignments used, quality = 0.85: HB3 TYR 76 + QG2 ILE 37 OK 85 85 100 100 2.1-3.7 1.8/10823=100...(16) HB3 CYS 45 - QG2 ILE 37 far 0 83 0 - 6.7-7.4 Violated in 0 structures by 0.00 A. Peak 9013 from cnoeabs.peaks (4.52, 4.02, 61.28 ppm; 6.22 A): 2 out of 3 assignments used, quality = 0.98: HA SER 38 + HA ILE 37 OK 93 93 100 100 4.5-4.5 10924/3.2=84...(15) HA TYR 72 + HA ILE 37 OK 71 71 100 100 4.9-6.1 10831/1113=94...(19) HA ASP 35 - HA ILE 37 poor 20 100 20 - 6.5-7.0 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 5.5-5.8 9012/6413=98...(6) HA SER 38 + HB ILE 37 OK 97 97 100 100 4.1-4.5 3.0/6422=100...(22) HA TYR 72 + HB ILE 37 OK 78 78 100 100 4.3-5.1 10832/2.9=99...(28) 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 3.4-3.9 3.0/6423=74, 10924=72...(21) HA TYR 72 + QG2 ILE 37 OK 87 87 100 100 2.1-2.9 3.4/9022=68, 3.0/9010=67...(24) HA ASP 35 - QG2 ILE 37 far 0 97 0 - 6.6-6.8 Violated in 0 structures by 0.00 A. Peak 9016 from cnoeabs.peaks (4.53, 1.28, 27.60 ppm; 5.17 A): 2 out of 3 assignments used, quality = 0.99: HA TYR 72 + HG12 ILE 37 OK 93 93 100 100 4.4-5.2 10832/1.8=89...(24) HA ASP 35 + HG12 ILE 37 OK 87 93 95 98 4.9-6.4 9012/6415=72...(7) HA SER 38 - HG12 ILE 37 far 0 100 0 - 6.1-6.4 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 TYR 72 + HG13 ILE 37 OK 100 100 100 100 2.7-4.2 10749/2.1=99...(25) HA SER 38 + HG13 ILE 37 OK 98 98 100 100 6.5-6.6 10924/3.2=89, ~6426=73...(19) HA ASP 35 + HG13 ILE 37 OK 61 68 95 94 6.2-7.8 9012/6416=78...(5) 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 = 1.00: QD TYR 76 + QG2 ILE 37 OK 100 100 100 100 1.9-2.5 2.6/9011=57...(19) QE TYR 76 + QG2 ILE 37 OK 60 63 100 96 3.5-4.1 4.7/10833=38...(16) Violated in 0 structures by 0.00 A. Peak 9020 from cnoeabs.peaks (6.49, 1.97, 38.06 ppm; 5.67 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 76 + HB ILE 37 OK 97 97 100 100 2.3-3.0 10841/3.2=75, ~9011=72...(18) QE TYR 76 + HB ILE 37 OK 82 83 100 99 4.4-5.0 ~10841=53, ~9019=51...(11) Violated in 0 structures by 0.00 A. Peak 9021 from cnoeabs.peaks (6.80, 0.94, 17.33 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.99: QE TYR 72 + QG2 ILE 37 OK 99 99 100 100 3.2-4.1 2.2/9022=97...(26) Violated in 0 structures by 0.00 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 1.9-3.0 2.2/9021=70...(44) HE22 GLN 134 - QG2 ILE 37 far 0 99 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 9023 from cnoeabs.peaks (8.33, 0.94, 17.33 ppm; 5.22 A): 1 out of 3 assignments used, quality = 1.00: H TYR 72 + QG2 ILE 37 OK 100 100 100 100 4.3-5.0 6983/9022=80...(21) H GLU 44 - QG2 ILE 37 far 0 99 0 - 6.5-7.2 H LEU 69 - QG2 ILE 37 far 0 63 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 9024 from cnoeabs.peaks (7.14, 0.78, 12.10 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.95: QD TYR 72 + QD1 ILE 37 OK 95 95 100 100 1.8-2.2 9528=88, 2.2/10840=85...(38) Violated in 0 structures by 0.00 A. Peak 9025 from cnoeabs.peaks (6.81, 0.78, 12.10 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.99: QE TYR 72 + QD1 ILE 37 OK 99 99 100 100 2.4-3.7 2.2/10839=82...(19) Violated in 0 structures by 0.00 A. Peak 9026 from cnoeabs.peaks (7.82, 0.78, 12.10 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.60: H GLY 75 + QD1 ILE 37 OK 60 60 100 99 4.1-5.2 2.9/9608=75, 2.9/9604=65...(10) Violated in 4 structures by 0.01 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 3.2-3.8 1285/10819=90...(6) H GLN 134 - QG2 ILE 37 far 0 100 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 9030 from cnoeabs.peaks (6.49, 4.01, 64.43 ppm; 5.47 A increased from 4.86 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 76 + HB2 SER 38 OK 94 97 100 96 5.4-5.7 ~9034=53, 9034/1.8=51...(7) QE TYR 76 + HB2 SER 38 OK 80 83 100 97 4.7-5.3 9034/1.8=61, ~9034=39...(8) Violated in 0 structures by 0.00 A. Peak 9032 from cnoeabs.peaks (6.49, 4.54, 58.15 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.98: QD TYR 76 + HA SER 38 OK 90 96 100 95 3.1-3.6 9019/10846=35...(11) QE TYR 76 + HA SER 38 OK 82 87 100 94 2.1-2.8 9034/3.0=46, 9035/3.6=31...(12) Violated in 0 structures by 0.00 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 2.8-4.4 10934/1.8=78...(13) Violated in 0 structures by 0.00 A. Peak 9034 from cnoeabs.peaks (6.50, 4.22, 64.43 ppm; 5.20 A): 2 out of 2 assignments used, quality = 0.96: QD TYR 76 + HB3 SER 38 OK 89 100 95 94 5.2-5.8 9030/1.8=39, 9032/3.0=36...(8) QE TYR 76 + HB3 SER 38 OK 59 63 100 94 4.5-4.8 9030/1.8=34, 9032/3.0=33...(9) Violated in 0 structures by 0.00 A. Peak 9036 from cnoeabs.peaks (6.47, 3.40, 59.82 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: QE TYR 76 + HA LYS 39 OK 100 100 100 100 2.3-3.1 9625=70, 10558/10578=65...(16) Violated in 0 structures by 0.00 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 3.8-4.5 9036/3.0=87...(10) 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 2 assignments used, quality = 1.00: QB ALA 41 + HB3 SER 38 OK 100 100 100 100 3.2-3.9 9043/1.8=81...(11) HG3 LYS 39 - HB3 SER 38 far 0 95 0 - 6.1-8.0 Violated in 0 structures by 0.00 A. Peak 9043 from cnoeabs.peaks (1.16, 4.01, 64.43 ppm; 4.49 A): 1 out of 3 assignments used, quality = 0.97: QB ALA 41 + HB2 SER 38 OK 97 97 100 100 2.1-2.7 9042/1.8=78...(10) HG2 LYS 39 - HB2 SER 38 far 0 68 0 - 6.3-8.3 HG3 LYS 39 - HB2 SER 38 far 0 100 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 9046 from cnoeabs.peaks (2.04, 4.22, 64.43 ppm; 5.29 A): 1 out of 3 assignments used, quality = 0.97: HB3 GLU 40 + HB3 SER 38 OK 97 100 100 97 3.2-5.3 10857/9042=69...(4) HG3 PRO 81 - HB3 SER 38 far 0 96 0 - 8.5-11.5 HB2 GLU 44 - HB3 SER 38 far 0 90 0 - 9.7-11.4 Violated in 1 structures by 0.00 A. Peak 9050 from cnoeabs.peaks (0.93, 4.22, 64.43 ppm; 5.45 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 37 + HB3 SER 38 OK 100 100 100 100 4.5-5.3 6423/1130=85...(12) Violated in 0 structures by 0.00 A. Peak 9053 from cnoeabs.peaks (0.83, 3.40, 59.82 ppm; 5.27 A): 1 out of 4 assignments used, quality = 0.99: QG1 VAL 133 + HA LYS 39 OK 99 99 100 100 1.9-3.0 10578=98, 10585/10870=78...(22) HG13 ILE 80 - HA LYS 39 far 10 99 10 - 5.8-6.5 QG2 ILE 129 - HA LYS 39 far 0 99 0 - 6.7-7.5 QG2 ILE 80 - HA LYS 39 far 0 90 0 - 7.1-8.2 Violated in 0 structures by 0.00 A. Peak 9054 from cnoeabs.peaks (1.18, 1.90, 28.28 ppm; 5.54 A increased from 4.92 A): 1 out of 2 assignments used, quality = 0.97: QB ALA 41 + HB2 GLU 40 OK 97 97 100 100 4.9-5.3 10857/1.8=96, 10931=95...(20) HG3 LYS 39 - HB2 GLU 40 poor 19 73 35 76 5.3-7.0 9056/3.0=35, 9059/3.0=29...(5) 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 = 0.96: QD1 LEU 43 + HA GLU 40 OK 96 97 100 99 2.4-3.9 3.2/1245=56, 11896=53...(17) 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 2 assignments used, quality = 1.00: QB ALA 41 + HA GLU 40 OK 100 100 100 100 5.0-5.0 10857/3.0=80...(23) HG3 LYS 39 + HA GLU 40 OK 92 97 95 100 3.9-6.2 11901/9055=68, ~1159=42...(22) Violated in 0 structures by 0.00 A. Peak 9059 from cnoeabs.peaks (1.18, 2.31, 35.29 ppm; 6.11 A increased from 5.75 A): 2 out of 4 assignments used, quality = 0.98: QB ALA 41 + HG2 GLU 40 OK 97 97 100 100 4.4-6.1 10857/3.0=94...(19) HG3 LYS 39 + HG2 GLU 40 OK 38 73 65 81 4.5-9.2 9056/3.9=35...(7) HG12 ILE 32 - HG3 GLU 30 far 3 52 5 - 6.5-7.9 QG2 THR 25 - HG3 GLU 30 far 0 65 0 - 7.4-12.0 Violated in 0 structures by 0.00 A. Peak 9061 from cnoeabs.peaks (8.30, 1.17, 17.90 ppm; 4.27 A): 2 out of 5 assignments used, quality = 0.96: H LEU 43 + QB ALA 41 OK 87 89 100 98 4.6-4.9 3.9/1285=60, 3.6/9066=46...(14) H GLU 40 + QB ALA 41 OK 72 73 100 98 4.2-4.4 4.0/10857=53...(15) H GLU 44 - QB ALA 41 far 0 63 0 - 5.0-5.2 H TYR 72 - QB ALA 41 far 0 89 0 - 6.5-7.3 H LEU 69 - QB ALA 41 far 0 99 0 - 8.6-9.4 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 2 assignments used, quality = 0.81: QD TYR 72 + QB ALA 41 OK 81 81 100 100 3.7-4.2 2.2/9551=84...(14) HE22 GLN 134 - QB ALA 41 far 0 100 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 9063 from cnoeabs.peaks (6.81, 1.17, 17.90 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: QE TYR 72 + QB ALA 41 OK 100 100 100 100 3.7-4.0 9551=100, 2.2/9062=71...(14) Violated in 0 structures by 0.00 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 2.2-4.8 3.0/1409=96, 9064=89...(12) 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 3 assignments used, quality = 0.98: HG2 GLU 44 + HA ALA 41 OK 97 97 100 100 3.1-3.4 3.0/1409=92, 1.8/9064=90...(13) HG2 GLU 40 + HA ALA 41 OK 33 95 35 100 3.9-6.5 3.0/1280=67, ~10857=60...(21) HG3 GLN 68 - HA ALA 41 far 0 100 0 - 8.0-9.3 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 5 assignments used, quality = 0.99: QG2 ILE 37 + QB ALA 41 OK 99 99 100 100 2.0-3.2 10819=99, 1094/9070=62...(19) QD1 LEU 48 - QB ALA 41 far 0 100 0 - 6.9-7.9 QD2 LEU 48 - QB ALA 41 far 0 83 0 - 8.3-9.7 QD1 LEU 49 - QB ALA 41 far 0 90 0 - 8.4-9.0 QG1 VAL 126 - QB ALA 41 far 0 63 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 9070 from cnoeabs.peaks (0.78, 1.17, 17.90 ppm; 4.48 A): 1 out of 4 assignments used, quality = 1.00: QD1 ILE 37 + QB ALA 41 OK 100 100 100 100 3.6-4.6 1094/10819=89...(10) QD2 LEU 43 - QB ALA 41 far 0 81 0 - 6.2-7.0 QD2 LEU 96 - QB ALA 41 far 0 65 0 - 9.2-9.9 QG1 VAL 93 - QB ALA 41 far 0 68 0 - 9.8-10.4 Violated in 1 structures by 0.01 A. Peak 9072 from cnoeabs.peaks (1.00, 3.48, 59.85 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.98: QD1 LEU 69 + HA LEU 42 OK 98 98 100 100 3.6-4.2 11039/3.9=76...(10) Violated in 0 structures by 0.00 A. Peak 9073 from cnoeabs.peaks (1.17, 3.48, 59.85 ppm; 5.01 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 41 + HA LEU 42 OK 100 100 100 100 3.7-3.9 9066=100, 1285/2.8=91...(8) HG3 LYS 39 - HA LEU 42 far 0 96 0 - 7.2-8.2 QG2 VAL 77 - HA LEU 42 far 0 95 0 - 9.6-10.3 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 = 1.00: QD1 LEU 69 + HG LEU 42 OK 100 100 100 100 2.3-2.8 11039/2.1=95...(21) QG2 VAL 133 + HG LEU 42 OK 60 60 100 100 4.3-4.6 ~10585=63, ~10585=63...(19) 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 = 1.00: QG2 VAL 93 + QD1 LEU 42 OK 100 100 100 100 3.8-4.3 11424/11800=71...(20) QD1 ILE 80 + QD1 LEU 42 OK 92 92 100 100 4.2-4.7 10588/11676=82...(16) Violated in 0 structures by 0.00 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 4.5-4.9 11424/11891=79...(14) QD1 ILE 80 + QD2 LEU 42 OK 97 97 100 100 4.2-4.7 10588/10587=93...(15) Violated in 0 structures by 0.00 A. Peak 9081 from cnoeabs.peaks (0.83, 0.56, 24.08 ppm; 2.94 A): 2 out of 7 assignments used, quality = 1.00: QG1 VAL 133 + QD2 LEU 42 OK 99 99 100 100 2.6-2.9 10585=55, 2.1/10587=54...(32) QG2 ILE 129 + QD2 LEU 42 OK 96 98 100 98 2.4-3.3 10486=74, 9083/2.1=49...(19) HG13 ILE 80 - QD2 LEU 42 far 0 99 0 - 4.8-5.8 QG2 ILE 80 - QD2 LEU 42 far 0 89 0 - 6.4-7.3 QD2 LEU 70 - QD2 LEU 42 far 0 68 0 - 6.9-7.4 QD1 LEU 70 - QD2 LEU 42 far 0 96 0 - 7.9-8.7 QD1 LEU 122 - QD2 LEU 42 far 0 73 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 9082 from cnoeabs.peaks (1.02, 0.56, 24.08 ppm; 3.07 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 69 + QD2 LEU 42 OK 92 93 100 98 2.9-3.3 11039=62, 11063/9177=31...(24) QG2 VAL 133 + QD2 LEU 42 OK 87 87 100 100 1.8-2.1 10587=69, 2.1/10585=50...(27) Violated in 0 structures by 0.00 A. Peak 9083 from cnoeabs.peaks (0.82, 0.63, 27.44 ppm; 3.55 A): 1 out of 8 assignments used, quality = 0.99: QG2 ILE 129 + QD1 LEU 42 OK 99 100 100 99 2.6-3.8 10486/2.1=75, 4142=46...(21) QG1 VAL 133 - QD1 LEU 42 far 5 95 5 - 4.1-4.7 HG13 ILE 80 - QD1 LEU 42 far 0 100 0 - 4.8-6.1 QD1 LEU 70 - QD1 LEU 42 far 0 100 0 - 6.3-7.0 QG2 ILE 80 - QD1 LEU 42 far 0 97 0 - 6.6-7.4 QD2 LEU 49 - QD1 LEU 42 far 0 65 0 - 7.4-7.9 QD1 LEU 122 - QD1 LEU 42 far 0 89 0 - 8.0-9.8 QD1 LEU 53 - QD1 LEU 42 far 0 57 0 - 9.2-11.1 Violated in 2 structures by 0.01 A. Peak 9084 from cnoeabs.peaks (1.01, 0.63, 27.44 ppm; 3.64 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 69 + QD1 LEU 42 OK 99 99 100 100 2.4-2.9 11039/2.1=74...(27) QG2 VAL 133 + QD1 LEU 42 OK 68 68 100 100 3.1-3.5 11676=54, 10587/2.1=43...(26) Violated in 0 structures by 0.00 A. Peak 9085 from cnoeabs.peaks (1.65, 0.56, 24.08 ppm; 4.07 A): 1 out of 5 assignments used, quality = 0.99: HG LEU 43 + QD2 LEU 42 OK 99 100 100 99 2.6-3.6 2.1/9129=77...(7) HB2 LEU 69 - QD2 LEU 42 far 0 76 0 - 5.8-6.3 QB ALA 88 - QD2 LEU 42 far 0 92 0 - 7.9-8.3 HD3 LYS 36 - QD2 LEU 42 far 0 73 0 - 9.3-10.1 HD2 LYS 86 - QD2 LEU 42 far 0 95 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 9086 from cnoeabs.peaks (2.04, 0.56, 24.08 ppm; 5.54 A): 0 out of 7 assignments used, quality = 0.00: HB3 GLU 40 - QD2 LEU 42 far 0 100 0 - 7.3-7.6 HB2 GLN 134 - QD2 LEU 42 far 0 83 0 - 7.4-7.9 HG3 PRO 81 - QD2 LEU 42 far 0 97 0 - 7.4-8.2 HB2 GLU 44 - QD2 LEU 42 far 0 89 0 - 7.6-7.9 HG2 ARG 90 - QD2 LEU 42 far 0 87 0 - 7.7-9.0 HG3 ARG 135 - QD2 LEU 42 far 0 99 0 - 7.8-8.8 HB2 GLN 127 - QD2 LEU 42 far 0 90 0 - 8.7-9.4 Violated in 20 structures by 0.20 A. Peak 9087 from cnoeabs.peaks (2.19, 0.56, 24.08 ppm; 4.97 A): 1 out of 5 assignments used, quality = 1.00: HB VAL 133 + QD2 LEU 42 OK 100 100 100 100 3.0-3.6 2.1/10587=100...(24) HB3 LEU 69 - QD2 LEU 42 far 0 68 0 - 6.7-7.0 HB3 GLN 68 - QD2 LEU 42 far 0 95 0 - 8.3-9.6 HB2 GLN 68 - QD2 LEU 42 far 0 63 0 - 8.5-9.7 HB2 GLN 82 - QD2 LEU 42 far 0 97 0 - 9.1-11.6 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 4 assignments used, quality = 1.00: HG CYS 73 + HG LEU 42 OK 99 99 100 99 3.1-4.6 11831/9520=54...(16) HB2 CYS 45 + HG LEU 42 OK 95 96 100 100 3.9-4.9 1295/3.7=82...(9) HE2 LYS 39 - HG LEU 42 far 0 100 0 - 7.6-8.6 HE3 LYS 39 - HG LEU 42 far 0 100 0 - 8.9-10.2 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 = 1.00: HB3 TYR 72 + QD1 LEU 42 OK 99 99 100 100 1.8-1.9 1.8/10874=90...(29) HB3 CYS 73 + QD1 LEU 42 OK 65 65 100 100 3.7-4.5 3.0/9570=81, 3.8/9565=60...(21) HB3 PHE 89 - QD1 LEU 42 far 0 92 0 - 6.4-6.8 HB2 HIS 67 - QD1 LEU 42 far 0 99 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 9092 from cnoeabs.peaks (3.13, 0.63, 27.44 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: HB3 TYR 76 + QD1 LEU 42 OK 100 100 100 100 2.1-2.7 9635=98, 1.8/9617=77...(19) HB3 CYS 45 - QD1 LEU 42 far 0 100 0 - 5.8-6.4 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 8 assignments used, quality = 0.99: HG CYS 73 + QD1 LEU 42 OK 91 93 100 98 1.9-3.4 9555/9565=53...(14) HB2 CYS 45 + QD1 LEU 42 OK 89 99 95 95 4.8-5.3 1295/1324=52...(8) HE2 LYS 39 - QD1 LEU 42 far 0 85 0 - 7.1-7.6 HE3 LYS 39 - QD1 LEU 42 far 0 76 0 - 8.2-8.8 HE3 LYS 86 - QD1 LEU 42 far 0 98 0 - 8.3-9.8 HE2 LYS 36 - QD1 LEU 42 far 0 99 0 - 9.0-10.7 HE3 LYS 36 - QD1 LEU 42 far 0 97 0 - 9.4-10.7 HE3 LYS 19 - QD1 LEU 42 far 0 93 0 - 9.9-32.9 Violated in 0 structures by 0.00 A. Peak 9094 from cnoeabs.peaks (2.74, 0.63, 27.44 ppm; 4.39 A): 2 out of 5 assignments used, quality = 1.00: HB2 CYS 73 + QD1 LEU 42 OK 98 99 100 99 3.7-4.5 3.0/9570=70, 3.8/9565=49...(14) HB2 TYR 76 + QD1 LEU 42 OK 89 89 100 100 2.1-2.5 1.8/9092=85, 9617=68...(19) HB3 ASP 78 - QD1 LEU 42 far 0 100 0 - 8.4-9.0 HB2 CYS 125 - QD1 LEU 42 far 0 99 0 - 8.8-10.6 HB2 ASP 47 - QD1 LEU 42 far 0 68 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 9095 from cnoeabs.peaks (3.34, 0.56, 24.08 ppm; 5.75 A): 3 out of 4 assignments used, quality = 1.00: HB3 TYR 72 + QD2 LEU 42 OK 100 100 100 100 4.2-4.4 9091/2.1=98...(25) HB3 CYS 73 + QD2 LEU 42 OK 85 85 100 100 5.0-6.2 ~9570=71, ~9570=69...(20) HB2 PHE 89 + QD2 LEU 42 OK 63 68 95 97 5.9-6.6 4.5/11891=78...(7) HB3 PHE 89 - QD2 LEU 42 far 0 99 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 9097 from cnoeabs.peaks (2.94, 0.56, 24.08 ppm; 4.85 A increased from 4.56 A): 3 out of 6 assignments used, quality = 1.00: HG CYS 73 + QD2 LEU 42 OK 97 100 100 97 3.4-4.8 11071/11066=37...(14) HE2 LYS 39 + QD2 LEU 42 OK 96 99 100 97 5.1-5.4 10571/10587=67...(9) HB2 CYS 45 + QD2 LEU 42 OK 95 100 95 100 5.0-6.0 11062/11066=72...(8) HE3 LYS 39 - QD2 LEU 42 far 0 97 0 - 6.0-6.7 HD2 ARG 135 - QD2 LEU 42 far 0 100 0 - 8.4-10.5 HE3 LYS 86 - QD2 LEU 42 far 0 81 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 9099 from cnoeabs.peaks (3.78, 0.56, 24.08 ppm; 3.84 A): 2 out of 5 assignments used, quality = 1.00: HA LEU 43 + QD2 LEU 42 OK 100 100 100 100 2.7-3.1 2.8/1338=61, 10883=57...(16) HA SER 130 + QD2 LEU 42 OK 97 100 100 97 2.5-3.5 11747/9129=46...(11) HB3 SER 130 - QD2 LEU 42 far 15 100 15 - 4.3-5.3 HA VAL 133 - QD2 LEU 42 far 0 97 0 - 4.7-5.1 HA ARG 90 - QD2 LEU 42 far 0 90 0 - 7.7-8.4 Violated in 0 structures by 0.00 A. Peak 9100 from cnoeabs.peaks (4.34, 0.56, 24.08 ppm; 6.49 A): 2 out of 6 assignments used, quality = 0.99: HA LEU 69 + QD2 LEU 42 OK 96 96 100 100 5.1-5.5 3.9/11066=93...(16) HA GLN 134 + QD2 LEU 42 OK 87 97 90 100 6.5-7.1 11761/10585=89...(5) HA ASP 47 - QD2 LEU 42 far 0 100 0 - 7.2-7.8 HA2 GLY 75 - QD2 LEU 42 far 0 71 0 - 8.3-8.8 HA CYS 125 - QD2 LEU 42 far 0 96 0 - 9.0-9.6 HA PRO 81 - QD2 LEU 42 far 0 99 0 - 9.5-10.2 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 7 assignments used, quality = 0.87: HA CYS 73 + QD1 LEU 42 OK 68 68 100 100 2.1-2.4 9570=56, 2.9/9565=52...(22) HA LEU 69 + QD1 LEU 42 OK 59 63 100 94 3.4-4.2 3.9/9084=33...(18) HA ASP 78 - QD1 LEU 42 far 0 71 0 - 8.4-8.9 HA GLN 134 - QD1 LEU 42 far 0 99 0 - 8.8-9.3 HA ASP 47 - QD1 LEU 42 far 0 90 0 - 9.0-9.4 HA CYS 125 - QD1 LEU 42 far 0 100 0 - 9.6-10.4 HA PRO 81 - QD1 LEU 42 far 0 78 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 9103 from cnoeabs.peaks (8.03, 0.63, 27.44 ppm; 5.04 A): 1 out of 5 assignments used, quality = 0.97: H TYR 76 + QD1 LEU 42 OK 97 97 100 100 3.4-3.7 9609=96, 3.8/9092=72...(13) H SER 130 - QD1 LEU 42 far 0 100 0 - 5.7-6.6 H CYS 79 - QD1 LEU 42 far 0 97 0 - 6.3-6.9 H LEU 48 - QD1 LEU 42 far 0 96 0 - 8.6-9.0 H ALA 16 - QD1 LEU 42 far 0 100 0 - 9.9-34.4 Violated in 0 structures by 0.00 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 2.4-3.3 9565=98, 2.9/9570=95...(20) Violated in 0 structures by 0.00 A. Peak 9105 from cnoeabs.peaks (8.03, 0.56, 24.08 ppm; 5.22 A): 3 out of 5 assignments used, quality = 1.00: H SER 130 + QD2 LEU 42 OK 97 97 100 100 3.8-4.7 7884/10486=81...(8) H TYR 76 + QD2 LEU 42 OK 78 87 90 100 5.5-5.8 9103/2.1=79, 3.8/9096=68...(11) H ILE 129 + QD2 LEU 42 OK 22 76 30 95 5.7-6.4 4.0/10486=84...(3) H CYS 79 - QD2 LEU 42 far 0 87 0 - 7.3-8.0 H LEU 48 - QD2 LEU 42 far 0 83 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 9106 from cnoeabs.peaks (8.50, 0.56, 24.08 ppm; 5.29 A): 0 out of 0 assignments used, quality = 0.00: 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 1.9-3.0 9110/2.1=94...(14) H ARG 135 - QD2 LEU 42 far 0 78 0 - 7.0-7.4 HE ARG 90 - QD2 LEU 42 far 0 90 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 9108 from cnoeabs.peaks (7.13, 0.56, 24.08 ppm; 5.75 A increased from 5.41 A): 2 out of 2 assignments used, quality = 0.92: QD TYR 72 + QD2 LEU 42 OK 89 89 100 100 4.9-5.5 9111/2.1=96, 2.7/9095=92...(31) HE22 GLN 134 + QD2 LEU 42 OK 33 100 35 95 5.7-7.2 10630/9129=81...(4) Violated in 0 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 3.0-3.9 2.6/9096=74, 2.6/9098=72...(25) QE TYR 76 + QD2 LEU 42 OK 92 92 100 100 3.4-4.3 9634/2.1=60...(18) 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 1.7-1.9 2.2/11890=72...(17) H ARG 135 - QD1 LEU 42 far 0 100 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 9111 from cnoeabs.peaks (7.13, 0.63, 27.44 ppm; 5.32 A): 1 out of 2 assignments used, quality = 0.89: QD TYR 72 + QD1 LEU 42 OK 89 89 100 100 3.4-3.8 2.7/9091=90...(32) HE22 GLN 134 - QD1 LEU 42 far 0 100 0 - 8.3-9.7 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 90 96 95 99 3.9-4.9 9634=45, 4.5/9092=43...(17) QD TYR 76 + QD1 LEU 42 OK 87 87 100 100 2.6-3.6 2.6/9092=66, 2.6/9617=53...(18) Violated in 0 structures by 0.00 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 2.0-3.7 11119=95, 9022/10826=63...(14) HE22 GLN 134 - HA LEU 42 far 0 99 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 9116 from cnoeabs.peaks (7.47, 0.75, 22.33 ppm; 4.53 A): 1 out of 3 assignments used, quality = 0.92: H GLN 134 + QD2 LEU 43 OK 92 92 100 100 3.0-3.9 10593=80, 4.3/11777=66...(17) H LEU 42 - QD2 LEU 43 far 9 92 10 - 4.6-5.9 HE22 GLN 127 - QD2 LEU 43 far 0 99 0 - 8.5-10.0 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 = 0.95: HE22 GLN 134 + QD2 LEU 43 OK 95 95 100 100 1.9-3.9 10630=88, 1.7/9118=71...(14) QD TYR 72 - QD2 LEU 43 far 0 60 0 - 7.1-8.2 Violated in 0 structures by 0.00 A. Peak 9118 from cnoeabs.peaks (6.89, 0.75, 22.33 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: HE21 GLN 134 + QD2 LEU 43 OK 100 100 100 100 2.9-4.7 1.7/10630=88...(10) HE21 GLN 68 - QD2 LEU 43 far 0 60 0 - 9.4-11.8 Violated in 2 structures by 0.02 A. Peak 9120 from cnoeabs.peaks (2.94, 0.70, 25.73 ppm; 4.31 A): 2 out of 5 assignments used, quality = 1.00: HE2 LYS 39 + QD1 LEU 43 OK 99 99 100 100 1.8-3.4 4.0/11901=61...(24) HE3 LYS 39 + QD1 LEU 43 OK 96 97 100 99 1.8-3.6 4.0/11901=61...(27) HB2 CYS 45 - QD1 LEU 43 far 0 100 0 - 7.7-8.2 HD2 ARG 135 - QD1 LEU 43 far 0 100 0 - 7.8-10.3 HG CYS 73 - QD1 LEU 43 far 0 100 0 - 8.6-9.9 Violated in 0 structures by 0.00 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 1.9-3.5 10596=91, 9124/2.1=91...(23) HB3 CYS 79 - QD1 LEU 43 far 0 71 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 9123 from cnoeabs.peaks (2.94, 0.75, 22.33 ppm; 5.06 A): 2 out of 5 assignments used, quality = 1.00: HE2 LYS 39 + QD2 LEU 43 OK 100 100 100 100 2.9-4.8 10571/11090=67...(23) HE3 LYS 39 + QD2 LEU 43 OK 99 99 100 100 3.8-5.0 4.0/11073=63...(25) HB2 CYS 45 - QD2 LEU 43 far 0 99 0 - 6.2-7.5 HG CYS 73 - QD2 LEU 43 far 0 100 0 - 6.6-8.1 HD2 ARG 135 - QD2 LEU 43 far 0 100 0 - 6.6-9.5 Violated in 0 structures by 0.00 A. Peak 9124 from cnoeabs.peaks (2.64, 0.75, 22.33 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.98: HG2 GLN 134 + QD2 LEU 43 OK 98 98 100 100 1.8-2.5 10596=82, 1.8/9127=80...(30) HB3 CYS 79 - QD2 LEU 43 far 0 60 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 9125 from cnoeabs.peaks (2.06, 0.70, 25.73 ppm; 4.22 A): 2 out of 8 assignments used, quality = 0.99: HG3 GLN 134 + QD1 LEU 43 OK 89 89 100 100 1.9-4.8 9127/2.1=80, 1.8/9121=76...(20) HB3 LYS 39 + QD1 LEU 43 OK 88 93 95 100 2.6-5.0 2.9/11901=74...(35) HB3 GLU 40 - QD1 LEU 43 far 0 60 0 - 4.8-6.4 HB3 GLU 44 - QD1 LEU 43 far 0 95 0 - 5.9-6.7 HG3 PRO 81 - QD1 LEU 43 far 0 95 0 - 6.5-7.9 HB2 GLN 127 - QD1 LEU 43 far 0 99 0 - 8.2-10.6 HB3 GLN 82 - QD1 LEU 43 far 0 65 0 - 9.0-11.7 HB2 GLU 128 - QD1 LEU 43 far 0 90 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 9126 from cnoeabs.peaks (2.33, 0.70, 25.73 ppm; 5.82 A): 3 out of 4 assignments used, quality = 1.00: HB3 GLN 134 + QD1 LEU 43 OK 99 99 100 100 2.2-4.9 11853=98, 11074/2.1=97...(24) HG2 GLU 44 + QD1 LEU 43 OK 90 100 90 100 5.6-6.6 6528/6523=76...(6) HG2 GLU 40 + QD1 LEU 43 OK 75 78 100 95 3.2-6.0 3.9/9055=82...(4) HG2 GLN 127 - QD1 LEU 43 far 0 87 0 - 8.7-11.0 Violated in 0 structures by 0.00 A. Peak 9127 from cnoeabs.peaks (2.05, 0.75, 22.33 ppm; 3.96 A): 1 out of 9 assignments used, quality = 0.60: HG3 GLN 134 + QD2 LEU 43 OK 60 60 100 100 2.5-3.9 1.8/9124=74...(29) HB3 LYS 39 - QD2 LEU 43 far 0 68 0 - 5.1-6.1 HB3 GLU 44 - QD2 LEU 43 far 0 71 0 - 6.3-6.7 HG3 ARG 135 - QD2 LEU 43 far 0 83 0 - 6.6-7.8 HB3 GLU 40 - QD2 LEU 43 far 0 89 0 - 7.0-7.4 HB2 GLU 44 - QD2 LEU 43 far 0 60 0 - 7.1-7.4 HB2 GLN 127 - QD2 LEU 43 far 0 100 0 - 7.4-8.3 HG3 PRO 81 - QD2 LEU 43 far 0 100 0 - 7.5-8.5 HB2 GLU 128 - QD2 LEU 43 far 0 63 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 9128 from cnoeabs.peaks (2.19, 0.75, 22.33 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: HB VAL 133 + QD2 LEU 43 OK 100 100 100 100 1.8-2.9 2.1/11777=85...(23) HB3 LEU 69 - QD2 LEU 43 far 0 78 0 - 8.5-9.4 HB2 GLN 82 - QD2 LEU 43 far 0 92 0 - 9.6-11.9 Violated in 0 structures by 0.00 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 1.9-3.3 9085/2.1=59...(21) Violated in 0 structures by 0.00 A. Peak 9140 from cnoeabs.peaks (1.72, 2.51, 34.64 ppm; 4.66 A): 1 out of 4 assignments used, quality = 0.89: HB2 LEU 43 + HG3 GLU 44 OK 89 99 100 89 3.5-4.9 6520/1424=66...(5) HG LEU 98 - HG3 GLU 102 far 0 73 0 - 5.6-9.9 HG LEU 48 - HG3 GLU 44 far 0 99 0 - 6.7-8.0 HD3 LYS 39 - HG3 GLU 44 far 0 99 0 - 7.2-10.7 Violated in 3 structures by 0.03 A. Peak 9141 from cnoeabs.peaks (1.19, 2.51, 34.64 ppm; 5.94 A increased from 5.28 A): 1 out of 1 assignment used, quality = 0.83: QB ALA 41 + HG3 GLU 44 OK 83 83 100 100 3.9-5.9 2.1/9064=86, ~1409=77...(16) Violated in 0 structures by 0.00 A. Peak 9143 from cnoeabs.peaks (7.14, 2.94, 26.22 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.99: QD TYR 72 + HB2 CYS 45 OK 99 99 100 100 2.9-3.4 9145/1.8=100...(22) 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 3.2-4.1 9547/1.8=87, 2.2/9143=85...(16) HE21 GLN 127 - HB2 CYS 45 far 0 100 0 - 9.1-15.7 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 1 assignment used, quality = 0.89: QD TYR 72 + HB3 CYS 45 OK 89 89 100 100 3.1-3.9 2.2/9146=89...(19) Violated in 0 structures by 0.00 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 2.9-4.0 9547=90, 2.2/9145=77...(16) HE21 GLN 127 - HB3 CYS 45 far 0 97 0 - 8.8-15.6 Violated in 0 structures by 0.00 A. Peak 9148 from cnoeabs.peaks (8.31, 4.12, 62.50 ppm; 5.06 A increased from 4.76 A): 2 out of 5 assignments used, quality = 0.99: H LEU 49 + HA CYS 45 OK 94 95 100 100 4.5-5.1 6589/1436=60...(12) H GLU 44 + HA CYS 45 OK 74 89 100 84 5.4-5.5 6531/3.6=60, 3.9/9153=32...(5) H LEU 69 - HA CYS 45 far 0 89 0 - 6.2-6.6 H LEU 43 - HA CYS 45 far 0 63 0 - 7.2-7.3 H TYR 72 - HA CYS 45 far 0 99 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 9153 from cnoeabs.peaks (2.18, 4.12, 62.50 ppm; 4.33 A): 0 out of 2 assignments used, quality = 0.00: HB3 GLN 68 - HA CYS 45 far 0 100 0 - 5.5-6.7 HB3 LEU 69 - HA CYS 45 far 0 89 0 - 6.4-7.1 Violated in 20 structures by 1.30 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 3.6-4.3 10991/1437=68...(14) Violated in 0 structures by 0.00 A. Peak 9156 from cnoeabs.peaks (2.17, 2.94, 26.22 ppm; 5.73 A increased from 5.09 A): 2 out of 3 assignments used, quality = 0.99: HB3 LEU 69 + HB2 CYS 45 OK 95 100 95 100 5.0-7.0 3.2/11062=95...(18) HB3 GLN 68 + HB2 CYS 45 OK 87 96 100 91 4.8-5.8 11048/11050=51...(6) HB VAL 133 - HB2 CYS 45 far 0 73 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 9158 from cnoeabs.peaks (2.17, 3.13, 26.22 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.99: HB3 LEU 69 + HB3 CYS 45 OK 95 100 95 100 4.5-5.7 3.2/11061=60, ~11062=51...(19) HB3 GLN 68 + HB3 CYS 45 OK 72 97 100 74 3.6-4.6 9550/9547=34...(6) Violated in 0 structures by 0.00 A. Peak 9159 from cnoeabs.peaks (0.99, 3.13, 26.22 ppm; 5.65 A): 2 out of 3 assignments used, quality = 0.90: QD1 LEU 69 + HB3 CYS 45 OK 87 87 100 100 3.5-4.2 9160/1.8=98, 11072=80...(22) QG2 VAL 126 + HB3 CYS 45 OK 28 65 90 47 5.8-7.0 11680/4.5=38, 9173/10895=13 QD2 LEU 53 - HB3 CYS 45 far 0 73 0 - 9.6-11.9 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 1 assignment used, quality = 0.93: QD1 LEU 69 + HB2 CYS 45 OK 93 93 100 100 2.8-4.4 11062=89, 11061/1.8=84...(20) Violated in 0 structures by 0.00 A. Peak 9164 from cnoeabs.peaks (0.92, 4.12, 62.50 ppm; 4.04 A): 3 out of 5 assignments used, quality = 1.00: QD1 LEU 48 + HA CYS 45 OK 99 100 100 99 1.9-2.8 1529=61, 3.1/1438=54...(14) QD1 LEU 49 + HA CYS 45 OK 84 99 95 90 3.9-4.6 9209/4.8=42...(13) QD2 LEU 48 + HA CYS 45 OK 66 96 70 99 3.7-4.9 2.1/1529=57, 3.1/1438=54...(13) QG2 ILE 37 - HA CYS 45 far 0 92 0 - 7.9-8.6 QD1 LEU 123 - HA CYS 45 far 0 99 0 - 9.5-10.1 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 4 assignments used, quality = 1.00: QG1 VAL 126 + HA ALA 46 OK 100 100 100 100 1.9-2.3 9175/2.1=88...(20) QG2 VAL 126 + HA ALA 46 OK 100 100 100 100 3.6-3.9 11680/2.1=54, ~9175=50...(19) QD2 LEU 53 - HA ALA 46 far 0 99 0 - 8.1-10.0 QG2 ILE 37 - HA ALA 46 far 0 73 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 9174 from cnoeabs.peaks (0.86, 3.90, 55.49 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: QD2 LEU 69 + HA ALA 46 OK 100 100 100 100 1.7-1.8 11054=99, 11045/2.1=81...(26) QD2 LEU 70 - HA ALA 46 far 0 99 0 - 6.9-7.3 QG1 VAL 133 - HA ALA 46 far 0 63 0 - 7.9-8.6 QD2 LEU 123 - HA ALA 46 far 0 83 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 9175 from cnoeabs.peaks (0.97, 1.34, 16.76 ppm; 2.89 A): 1 out of 3 assignments used, quality = 0.96: QG1 VAL 126 + QB ALA 46 OK 96 97 100 99 2.3-2.5 10409=91, 2.1/11680=29...(19) QG2 VAL 126 - QB ALA 46 far 0 100 0 - 4.1-4.3 QD2 LEU 53 - QB ALA 46 far 0 100 0 - 8.0-9.6 Violated in 0 structures by 0.00 A. Peak 9176 from cnoeabs.peaks (0.78, 1.34, 16.76 ppm; 3.53 A): 1 out of 7 assignments used, quality = 0.70: QD2 LEU 43 + QB ALA 46 OK 70 71 100 99 2.8-3.3 11071=59, 3.9/1348=38...(16) QD2 LEU 49 - QB ALA 46 far 0 89 0 - 5.2-5.7 QD1 LEU 96 - QB ALA 46 far 0 99 0 - 5.3-6.0 QD1 LEU 53 - QB ALA 46 far 0 93 0 - 6.2-7.7 QD1 LEU 122 - QB ALA 46 far 0 65 0 - 6.6-8.1 QD2 LEU 122 - QB ALA 46 far 0 99 0 - 7.6-9.1 QD1 ILE 37 - QB ALA 46 far 0 100 0 - 8.2-8.6 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 = 0.99: QD2 LEU 42 + QB ALA 46 OK 99 100 100 100 2.6-3.1 9129/9176=56...(17) Violated in 0 structures by 0.00 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 3.2-3.4 2.1/10900=89...(20) HG LEU 42 + QB ALA 46 OK 64 65 100 98 3.1-3.6 2.1/9177=81, ~10876=30...(15) HB2 LEU 49 - QB ALA 46 far 0 90 0 - 4.7-5.3 HB2 LEU 53 - QB ALA 46 far 0 99 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 9183 from cnoeabs.peaks (1.69, 1.34, 16.76 ppm; 5.24 A increased from 4.41 A): 1 out of 7 assignments used, quality = 0.71: HB2 LEU 69 + QB ALA 46 OK 71 71 100 100 4.8-5.1 3.0/10900=97...(20) HG LEU 48 - QB ALA 46 far 12 83 15 - 5.8-7.3 HD3 LYS 39 - QB ALA 46 far 0 83 0 - 7.9-9.5 HD2 LYS 39 - QB ALA 46 far 0 90 0 - 7.9-9.4 HB3 LEU 70 - QB ALA 46 far 0 81 0 - 8.9-9.1 HG2 ARG 135 - QB ALA 46 far 0 89 0 - 9.0-10.6 HB2 LEU 70 - QB ALA 46 far 0 87 0 - 9.6-9.8 Violated in 0 structures by 0.00 A. Peak 9184 from cnoeabs.peaks (1.97, 1.34, 16.76 ppm; 4.27 A): 0 out of 2 assignments used, quality = 0.00: HB3 LEU 53 - QB ALA 46 far 0 63 0 - 8.7-10.9 HB ILE 37 - QB ALA 46 far 0 100 0 - 9.4-10.0 Violated in 20 structures by 4.12 A. Peak 9185 from cnoeabs.peaks (2.13, 1.34, 16.76 ppm; 5.14 A increased from 4.83 A): 1 out of 2 assignments used, quality = 0.57: HB VAL 126 + QB ALA 46 OK 57 57 100 100 4.8-5.1 2.1/9175=100...(10) HB2 GLU 97 - QB ALA 46 far 0 100 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 9186 from cnoeabs.peaks (2.91, 1.34, 16.76 ppm; 5.08 A increased from 4.78 A): 1 out of 4 assignments used, quality = 0.50: HG CYS 73 + QB ALA 46 OK 50 71 100 71 4.2-5.0 10462/11636=36...(7) HE2 LYS 39 - QB ALA 46 far 0 83 0 - 6.2-8.2 HE3 LYS 39 - QB ALA 46 far 0 90 0 - 7.0-8.9 HD2 ARG 135 - QB ALA 46 far 0 65 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 9187 from cnoeabs.peaks (3.42, 1.34, 16.76 ppm; 4.91 A): 1 out of 3 assignments used, quality = 0.97: HA VAL 126 + QB ALA 46 OK 97 97 100 100 4.0-4.2 3.2/9175=95...(17) HA LYS 39 - QB ALA 46 far 0 85 0 - 6.6-7.0 HA VAL 77 - QB ALA 46 far 0 71 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 9188 from cnoeabs.peaks (4.09, 1.34, 16.76 ppm; 4.72 A): 0 out of 4 assignments used, quality = 0.00: HA LEU 48 - QB ALA 46 far 0 78 0 - 6.8-6.9 HA LEU 49 - QB ALA 46 far 0 83 0 - 7.0-7.4 HA PHE 89 - QB ALA 46 far 0 100 0 - 7.7-8.0 HB THR 65 - QB ALA 46 far 0 81 0 - 7.9-8.3 Violated in 20 structures by 1.12 A. Peak 9189 from cnoeabs.peaks (4.11, 3.90, 55.49 ppm; 5.58 A): 1 out of 3 assignments used, quality = 0.97: HA CYS 45 + HA ALA 46 OK 97 97 100 100 4.7-4.8 4.8=100 HA LEU 49 - HA ALA 46 far 5 100 5 - 6.2-6.7 HA LEU 48 - HA ALA 46 far 0 100 0 - 6.6-6.8 Violated in 0 structures by 0.00 A. Peak 9190 from cnoeabs.peaks (8.28, 1.34, 16.76 ppm; 4.56 A): 2 out of 8 assignments used, quality = 0.99: H LEU 43 + QB ALA 46 OK 96 96 100 100 4.1-4.4 2.8/1348=77...(15) H ASP 131 + QB ALA 46 OK 81 100 85 95 4.6-5.2 4180/11718=53...(8) H LEU 49 - QB ALA 46 far 0 65 0 - 5.2-5.5 H VAL 126 - QB ALA 46 far 0 92 0 - 6.0-6.2 H LEU 69 - QB ALA 46 far 0 76 0 - 6.2-6.5 H GLU 40 - QB ALA 46 far 0 100 0 - 8.0-8.3 H LEU 123 - QB ALA 46 far 0 90 0 - 8.6-9.2 H LEU 96 - QB ALA 46 far 0 100 0 - 8.9-9.3 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 5 assignments used, quality = 1.00: H LEU 48 + QB ALA 46 OK 99 100 100 99 4.6-4.8 6579/6568=66...(10) H SER 130 + QB ALA 46 OK 98 99 100 100 2.6-3.5 10497/9175=57...(13) H CYS 125 - QB ALA 46 far 0 100 0 - 7.9-8.1 H ALA 52 - QB ALA 46 far 0 92 0 - 8.3-8.8 H TYR 76 - QB ALA 46 far 0 100 0 - 8.5-9.0 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 4.1-4.3 3.4/9132=60, 3.6/9188=50...(12) H LEU 53 - QB ALA 46 far 0 100 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 9195 from cnoeabs.peaks (8.48, 4.11, 57.64 ppm; 4.71 A increased from 4.43 A): 3 out of 6 assignments used, quality = 0.96: H LEU 100 + HA LEU 98 OK 85 85 100 100 4.1-4.8 7391=73, 3.1/3155=47...(17) H GLU 97 + HA LEU 98 OK 62 72 100 86 5.0-5.2 9997/3.0=44...(5) H ASP 47 + HA LEU 48 OK 32 36 100 88 5.0-5.1 6579/2.9=56, 6594/3.6=34...(8) H ASP 47 - HA LEU 49 far 0 65 0 - 7.1-7.4 H SER 9 - HA LEU 98 far 0 84 0 - 8.8-41.5 H LEU 70 - HA LEU 49 far 0 85 0 - 9.8-10.6 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 2 assignments used, quality = 0.98: H ASP 47 + HB3 LEU 48 OK 98 98 100 100 4.2-4.6 3.6/6585=99, 6573/4.6=74...(11) H LEU 70 - HB3 LEU 48 far 0 89 0 - 9.0-9.8 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 2.3-3.1 11703/2.9=77...(17) QG2 THR 65 + HA LEU 48 OK 66 66 100 100 3.9-4.3 10991/3.0=79...(19) QG2 THR 54 - HA LEU 49 far 0 92 0 - 6.1-6.7 QG2 THR 54 - HA LEU 48 far 0 56 0 - 6.3-7.4 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 2 assignments used, quality = 0.92: QG2 THR 65 + HB3 LEU 48 OK 92 92 100 100 2.0-2.5 9204/3.0=92, 9202/1.8=89...(24) QG2 THR 54 - HB3 LEU 48 far 0 65 0 - 8.1-9.1 Violated in 0 structures by 0.00 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 1.9-2.5 10991=98, 9441/3.0=90...(18) QG2 THR 65 - HB3 LEU 122 far 0 60 0 - 6.5-8.4 QG2 THR 54 - HB2 LEU 48 far 0 92 0 - 7.6-8.7 QG2 THR 54 - HB3 LEU 122 far 0 51 0 - 7.8-11.2 QG2 THR 65 - HB3 LEU 103 far 0 70 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 9203 from cnoeabs.peaks (1.22, 4.11, 57.99 ppm; 4.98 A): 2 out of 4 assignments used, quality = 0.99: QG2 THR 65 + HA LEU 48 OK 97 97 100 100 3.9-4.3 10991/3.0=78...(19) QG2 THR 65 + HA LEU 49 OK 61 61 100 100 2.3-3.1 9431/3.9=75...(17) QG2 THR 54 - HA LEU 49 far 0 45 0 - 6.1-6.7 QG2 THR 54 - HA LEU 48 far 0 78 0 - 6.3-7.4 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 1 assignment used, quality = 0.87: QG2 THR 65 + HG LEU 48 OK 87 87 100 100 3.7-4.2 9441=66, 10991/3.0=63...(17) Violated in 0 structures by 0.00 A. Peak 9205 from cnoeabs.peaks (1.58, 0.91, 23.93 ppm; 3.30 A): 1 out of 7 assignments used, quality = 0.40: HG LEU 123 + QD1 LEU 123 OK 40 40 100 100 2.1-2.1 2.1=100 HG LEU 49 - QD1 LEU 48 far 0 41 0 - 4.9-5.7 HG LEU 49 - QD2 LEU 48 far 0 100 0 - 5.4-6.3 HG LEU 122 - QD1 LEU 123 far 0 21 0 - 5.4-7.9 HG LEU 49 - QD1 LEU 123 far 0 42 0 - 6.1-7.0 HG LEU 122 - QD1 LEU 48 far 0 21 0 - 9.6-11.7 HB2 LEU 103 - QD1 LEU 123 far 0 43 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 9206 from cnoeabs.peaks (3.87, 0.80, 26.96 ppm; 4.53 A increased from 4.26 A): 3 out of 6 assignments used, quality = 0.96: HA LEU 62 + QD2 LEU 49 OK 71 78 100 91 4.0-4.4 10994=51, 11027/9431=48...(7) HA ALA 46 + QD2 LEU 49 OK 62 63 100 99 4.4-5.1 9209/2.1=95...(12) HA LEU 123 + QD2 LEU 49 OK 61 83 100 73 3.7-4.5 10393/11676=29...(10) HB2 SER 50 - QD2 LEU 49 far 0 57 0 - 5.7-7.0 HB3 SER 50 - QD2 LEU 49 far 0 81 0 - 5.9-7.1 HA LEU 70 - QD2 LEU 49 far 0 93 0 - 7.0-7.3 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 = 1.00: HA2 GLY 66 + QD2 LEU 49 OK 98 100 100 98 1.7-1.8 ~9433=35, 9210/2.1=28...(25) HA3 GLY 66 + QD2 LEU 49 OK 98 100 100 98 2.2-2.6 ~9433=35, 9210/2.1=32...(24) HD2 PRO 58 - QD2 LEU 49 far 0 96 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 9209 from cnoeabs.peaks (3.87, 0.91, 23.35 ppm; 4.08 A): 4 out of 17 assignments used, quality = 0.82: HA ALA 46 + QD1 LEU 49 OK 42 63 100 67 2.4-3.1 9206/2.1=20, 6593/4.7=17...(12) HA LEU 123 + QD1 LEU 123 OK 38 38 100 100 1.9-2.3 4.0=100 HB3 SER 50 + QD1 LEU 123 OK 36 36 100 98 1.9-3.9 3.0/11874=40, ~11636=39...(23) HB2 SER 50 + QD1 LEU 123 OK 24 24 100 99 2.0-3.8 1.8/11339=70...(26) HB3 SER 50 - QD1 LEU 49 far 0 81 0 - 4.7-6.7 HA LEU 62 - QG2 VAL 63 far 0 39 0 - 4.8-5.0 HA LEU 123 - QD1 LEU 49 far 0 83 0 - 4.9-5.8 HB2 SER 50 - QD1 LEU 49 far 0 57 0 - 5.1-6.1 HA LEU 62 - QD1 LEU 49 far 0 78 0 - 5.3-5.8 HA3 GLY 2 - QD1 LEU 123 far 0 29 0 - 6.5-59.0 HA LEU 70 - QD1 LEU 49 far 0 93 0 - 6.5-7.3 HA2 GLY 2 - QD1 LEU 123 far 0 29 0 - 6.7-59.0 HA ALA 46 - QD1 LEU 123 far 0 27 0 - 6.7-7.1 HA LEU 62 - QD1 LEU 123 far 0 35 0 - 7.7-8.8 HA2 GLY 114 - QD1 LEU 123 far 0 44 0 - 8.7-10.1 HA LEU 123 - QG2 VAL 63 far 0 42 0 - 9.3-10.3 HA2 GLY 114 - QG2 VAL 63 far 0 49 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 9210 from cnoeabs.peaks (3.65, 0.91, 23.35 ppm; 4.45 A): 2 out of 6 assignments used, quality = 0.98: HA3 GLY 66 + QD1 LEU 49 OK 89 90 100 98 3.4-4.4 2.9/9433=58, 9208/2.1=40...(15) HA2 GLY 66 + QD1 LEU 49 OK 79 81 100 98 1.9-3.0 2.9/9433=58, 9208/2.1=40...(18) HA3 GLY 66 - QG2 VAL 63 far 0 47 0 - 5.3-5.6 HA2 GLY 66 - QG2 VAL 63 far 0 40 0 - 6.7-6.9 HA2 GLY 66 - QD1 LEU 123 far 0 36 0 - 7.5-8.6 HA3 GLY 66 - QD1 LEU 123 far 0 43 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 9211 from cnoeabs.peaks (2.44, 0.91, 23.35 ppm; 4.68 A): 0 out of 10 assignments used, quality = 0.00: HG3 GLN 61 - QG2 VAL 63 far 0 33 0 - 6.0-6.5 HG3 GLN 61 - QD1 LEU 49 far 0 68 0 - 6.9-7.7 HG3 GLU 128 - QD1 LEU 123 far 0 40 0 - 7.4-8.3 HB3 PRO 58 - QG2 VAL 63 far 0 30 0 - 7.4-8.0 HG2 GLN 101 - QG2 VAL 63 far 0 47 0 - 7.6-8.6 HG2 GLU 55 - QD1 LEU 123 far 0 28 0 - 7.8-9.4 HG3 GLU 128 - QD1 LEU 49 far 0 87 0 - 8.3-10.2 HG2 GLU 55 - QD1 LEU 49 far 0 65 0 - 9.0-11.1 HG3 GLU 97 - QD1 LEU 49 far 0 85 0 - 9.2-10.0 HG3 GLN 61 - QD1 LEU 123 far 0 29 0 - 9.5-11.1 Violated in 20 structures by 0.62 A. Peak 9218 from cnoeabs.peaks (0.79, 4.00, 62.52 ppm; 4.04 A): 1 out of 21 assignments used, quality = 0.99: QD1 LEU 53 + HA SER 50 OK 99 100 100 99 1.8-3.9 11422/11636=64...(20) QD2 LEU 49 - HA SER 50 far 0 100 0 - 5.1-5.6 QD1 LEU 122 - HA SER 50 far 0 96 0 - 5.4-8.3 QD1 LEU 53 - HB3 SER 51 far 0 71 0 - 5.9-7.0 QD2 LEU 122 - HB2 SER 124 far 0 98 0 - 6.3-7.9 QD1 LEU 53 - HB2 SER 124 far 0 100 0 - 6.5-8.7 QD1 LEU 122 - HB2 SER 124 far 0 95 0 - 6.6-9.0 QD1 LEU 96 - HA SER 50 far 0 76 0 - 7.4-8.2 QD1 LEU 96 - HB2 SER 124 far 0 75 0 - 7.5-8.4 QD2 LEU 122 - HA SER 50 far 0 99 0 - 7.6-8.5 QD2 LEU 49 - HB3 SER 51 far 0 71 0 - 8.0-8.7 QD2 LEU 49 - HB2 SER 124 far 0 100 0 - 8.0-8.9 QD2 LEU 119 - HA SER 50 far 0 99 0 - 8.2-8.6 QD1 ILE 32 - HA VAL 20 far 0 78 0 - 8.2-16.2 QD1 LEU 70 - HA VAL 20 far 0 65 0 - 8.8-27.0 QG2 ILE 80 - HA VAL 20 far 0 76 0 - 8.9-27.4 QD1 LEU 122 - HB3 SER 51 far 0 64 0 - 9.0-12.0 QG2 ILE 129 - HB2 SER 124 far 0 65 0 - 9.3-9.8 QD1 ILE 37 - HA VAL 20 far 0 82 0 - 9.9-22.0 QD1 LEU 103 - HA SER 50 far 0 95 0 - 9.9-11.0 QG2 ILE 129 - HA SER 50 far 0 65 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 9219 from cnoeabs.peaks (7.71, 3.94, 62.66 ppm; 5.13 A increased from 4.32 A): 1 out of 2 assignments used, quality = 0.99: H LEU 53 + HB2 SER 51 OK 99 100 100 100 4.5-5.0 3.3/1620=85...(8) H CYS 45 - HB2 SER 51 far 0 78 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 9229 from cnoeabs.peaks (0.94, 4.13, 54.53 ppm; 4.54 A): 1 out of 8 assignments used, quality = 1.00: QG1 VAL 57 + HA ALA 52 OK 100 100 100 100 3.3-3.9 9312/2.1=96, 2.1/9304=88...(16) QD2 LEU 53 - HA ALA 52 far 11 76 15 - 4.3-6.3 QD1 LEU 62 - HA ALA 52 far 0 57 0 - 5.3-5.9 QD1 LEU 48 - HA ALA 52 far 0 83 0 - 7.3-8.1 QD1 LEU 123 - HA ALA 52 far 0 90 0 - 7.4-7.8 QG1 VAL 126 - HA ALA 52 far 0 95 0 - 8.4-8.9 QD1 LEU 119 - HA ALA 52 far 0 100 0 - 8.9-9.7 QG2 VAL 126 - HA ALA 52 far 0 83 0 - 9.2-9.7 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 1 assignment used, quality = 0.96: QD2 LEU 62 + HA ALA 52 OK 96 96 100 100 3.5-4.0 9232/2.1=100...(9) Violated in 0 structures by 0.00 A. Peak 9231 from cnoeabs.peaks (0.90, 1.48, 18.03 ppm; 4.06 A increased from 3.61 A): 2 out of 9 assignments used, quality = 0.99: QD1 LEU 62 + QB ALA 52 OK 98 98 100 100 3.4-4.0 2.1/10996=92, 11906=38...(11) QD2 LEU 48 + QB ALA 52 OK 63 100 75 83 3.3-4.9 9227/2.9=62...(8) QD1 LEU 48 - QB ALA 52 far 0 85 0 - 4.8-5.8 QD1 LEU 49 - QB ALA 52 far 0 99 0 - 4.9-5.4 QD2 LEU 123 - QB ALA 52 far 0 83 0 - 5.5-6.3 QD1 LEU 123 - QB ALA 52 far 0 76 0 - 5.6-6.6 QG2 VAL 63 - QB ALA 52 far 0 99 0 - 6.7-7.1 QG1 VAL 118 - QB ALA 52 far 0 100 0 - 7.5-8.6 QG2 VAL 112 - QB ALA 52 far 0 85 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 9232 from cnoeabs.peaks (0.66, 1.48, 18.03 ppm; 3.54 A): 1 out of 3 assignments used, quality = 0.96: QD2 LEU 62 + QB ALA 52 OK 96 96 100 100 1.7-1.8 10941=93, 9319/9317=55...(17) QD2 LEU 100 - QB ALA 52 far 0 92 0 - 6.7-7.3 QD1 ILE 129 - QB ALA 52 far 0 76 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 9238 from cnoeabs.peaks (2.00, 4.13, 54.53 ppm; 4.36 A): 1 out of 6 assignments used, quality = 0.97: HB2 GLU 55 + HA ALA 52 OK 97 97 100 100 3.9-4.5 11905=80, 1.8/11904=62...(10) HB3 LEU 53 - HA ALA 52 far 0 99 0 - 5.6-6.5 HG2 PRO 56 - HA ALA 52 far 0 99 0 - 7.2-7.6 HB3 PRO 56 - HA ALA 52 far 0 100 0 - 8.2-8.8 HG3 PRO 56 - HA ALA 52 far 0 99 0 - 8.3-8.7 HG2 PRO 58 - HA ALA 52 far 0 68 0 - 8.5-9.1 Violated in 1 structures by 0.00 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 98 2.4-5.5 3.0/9238=75...(7) HG3 GLN 61 - HA ALA 52 far 5 100 5 - 5.4-6.8 Violated in 2 structures by 0.03 A. Peak 9240 from cnoeabs.peaks (1.94, 1.48, 18.03 ppm; 5.28 A increased from 4.45 A): 2 out of 3 assignments used, quality = 0.99: HG LEU 53 + QB ALA 52 OK 97 99 100 98 3.2-5.4 1662/6662=68...(9) HB3 LEU 49 + QB ALA 52 OK 67 68 100 99 4.1-5.3 3.9/9247=66, 3.0/1631=51...(15) HB2 PRO 58 - QB ALA 52 far 0 99 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 9241 from cnoeabs.peaks (2.06, 1.48, 18.03 ppm; 4.61 A): 2 out of 6 assignments used, quality = 0.98: HB2 LEU 62 + QB ALA 52 OK 94 100 95 99 4.5-5.2 3.1/10996=88...(7) HB VAL 57 + QB ALA 52 OK 57 57 100 100 3.4-4.1 2.1/9317=98, 2.1/9312=97...(17) HB3 GLU 55 - QB ALA 52 far 9 87 10 - 4.1-6.0 HG3 PRO 58 - QB ALA 52 far 0 96 0 - 7.2-7.6 HB2 GLN 127 - QB ALA 52 far 0 100 0 - 9.1-11.0 HB VAL 118 - QB ALA 52 far 0 100 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 9242 from cnoeabs.peaks (2.39, 1.48, 18.03 ppm; 5.77 A): 2 out of 3 assignments used, quality = 0.98: HG3 GLU 55 + QB ALA 52 OK 94 99 95 100 3.9-6.5 ~10909=77, 9239/2.1=77...(9) HG3 GLN 61 + QB ALA 52 OK 70 71 100 99 3.0-4.0 3.5/9369=69, 3.5/9375=60...(8) HB3 PRO 58 - QB ALA 52 far 0 76 0 - 8.1-8.5 Violated in 0 structures by 0.00 A. Peak 9243 from cnoeabs.peaks (3.87, 1.48, 18.03 ppm; 5.56 A): 1 out of 7 assignments used, quality = 0.60: HA LEU 62 + QB ALA 52 OK 60 60 100 100 3.3-3.7 3.9/9232=93, 3.0/9241=53...(8) HA LEU 123 - QB ALA 52 poor 13 65 20 - 6.0-7.2 HB3 SER 50 - QB ALA 52 far 0 93 0 - 6.3-7.3 HA ALA 46 - QB ALA 52 far 0 81 0 - 8.0-8.2 HA2 GLY 114 - QB ALA 52 far 0 99 0 - 8.4-10.8 HA2 GLY 2 - QB ALA 52 far 0 85 0 - 9.8-56.6 HA3 GLY 2 - QB ALA 52 far 0 85 0 - 9.9-56.5 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 3 assignments used, quality = 0.57: HB2 SER 51 + HA ALA 52 OK 57 63 100 90 4.0-4.8 6649/2.9=53, ~6650=32...(7) HB3 SER 50 - HA ALA 52 far 0 68 0 - 7.7-8.7 HA2 GLY 111 - HA ALA 52 far 0 89 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 9245 from cnoeabs.peaks (7.54, 4.13, 54.53 ppm; 6.74 A): 2 out of 2 assignments used, quality = 0.98: H THR 54 + HA ALA 52 OK 93 93 100 100 3.5-4.1 6669/3.6=93, 6674=90...(9) HE22 GLN 61 + HA ALA 52 OK 65 73 90 99 3.5-7.7 9297/9229=78, ~9375=76...(4) 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 3 assignments used, quality = 1.00: H THR 54 + QB ALA 52 OK 100 100 100 100 4.2-4.4 6674/2.1=91...(7) HE22 GLN 61 + QB ALA 52 OK 98 99 100 100 1.8-5.5 9369=87, 9371/9312=74...(7) H LEU 119 - QB ALA 52 far 0 98 0 - 8.3-9.5 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 5 assignments used, quality = 0.92: H LEU 49 + QB ALA 52 OK 92 92 100 100 4.4-4.8 2.9/1631=55, ~6645=52...(18) H LEU 123 - QB ALA 52 far 3 63 5 - 6.5-8.1 H VAL 126 - QB ALA 52 far 0 100 0 - 8.6-9.5 H LEU 69 - QB ALA 52 far 0 97 0 - 8.9-9.3 H GLY 111 - QB ALA 52 far 0 92 0 - 9.0-11.1 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 5.0-5.4 6673/3.6=79...(12) H VAL 57 - HA LEU 53 lone 10 95 100 10 5.5-6.1 9261/9264=8 H CYS 125 - HA LEU 53 far 0 73 0 - 9.7-10.7 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 1.9-3.6 10038=99, 10338/1679=73...(11) QD2 LEU 100 - HA LEU 53 far 0 100 0 - 8.0-10.0 Violated in 0 structures by 0.00 A. Peak 9253 from cnoeabs.peaks (0.68, 1.94, 27.00 ppm; 5.49 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 62 + HG LEU 53 OK 99 99 100 100 2.0-4.5 10996/9240=92...(15) QD2 LEU 100 - HG LEU 53 far 0 100 0 - 6.4-9.0 Violated in 0 structures by 0.00 A. Peak 9254 from cnoeabs.peaks (3.87, 0.97, 25.20 ppm; 4.97 A increased from 4.68 A): 2 out of 6 assignments used, quality = 0.80: HA LEU 123 + QD2 LEU 53 OK 63 65 100 96 3.5-5.1 2.9/11818=64, ~11571=56...(11) HA LEU 62 + QD2 LEU 53 OK 47 60 90 87 3.7-5.8 3.9/10338=81, ~10940=11...(5) HA2 GLY 114 - QD2 LEU 53 lone 2 99 30 6 4.8-7.6 9608/1683=3, 2.9/11518=2 HB3 SER 50 - QD2 LEU 53 far 0 93 0 - 6.3-7.5 HA ALA 46 - QD2 LEU 53 far 0 81 0 - 8.1-10.0 HD2 PRO 117 - QD2 LEU 53 far 0 92 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 9255 from cnoeabs.peaks (2.94, 0.97, 25.20 ppm; 5.31 A): 0 out of 1 assignment used, quality = 0.00: HB3 ASN 116 - QD2 LEU 53 far 0 100 0 - 6.3-8.7 Violated in 20 structures by 1.49 A. Peak 9256 from cnoeabs.peaks (2.28, 0.97, 25.20 ppm; 5.08 A): 0 out of 2 assignments used, quality = 0.00: HG2 GLN 61 - QD2 LEU 53 far 0 100 0 - 6.3-8.0 HB3 PRO 113 - QD2 LEU 53 far 0 100 0 - 7.6-10.4 Violated in 20 structures by 1.70 A. Peak 9260 from cnoeabs.peaks (4.35, 0.97, 25.20 ppm; 6.80 A): 1 out of 5 assignments used, quality = 0.59: HA ASN 59 + QD2 LEU 53 OK 59 95 100 62 5.1-6.3 9387/10338=56, 10700/1683=11 HA PRO 117 - QD2 LEU 53 poor 9 83 30 37 6.3-7.8 10236/1685=18...(3) HA PRO 113 - QD2 LEU 53 lone 2 71 50 6 6.3-8.4 3.6/11518=3 HA ASP 47 - QD2 LEU 53 far 0 100 0 - 8.2-9.5 HA CYS 125 - QD2 LEU 53 far 0 99 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 9263 from cnoeabs.peaks (4.18, 1.24, 21.56 ppm; 4.81 A increased from 3.85 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 53 + QG2 THR 54 OK 100 100 100 100 4.5-4.6 3.6/6684=81, 3.0/9272=77...(7) HA GLU 128 - QG2 THR 54 far 0 92 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 9269 from cnoeabs.peaks (2.06, 4.42, 61.58 ppm; 5.89 A increased from 4.71 A): 1 out of 5 assignments used, quality = 0.78: HB3 GLU 55 + HA THR 54 OK 78 78 100 99 5.4-5.7 6693/3.6=74, ~9268=52...(8) HB VAL 57 - HA THR 54 far 0 68 0 - 9.3-9.8 HB2 LEU 62 - HA THR 54 far 0 99 0 - 9.5-11.6 HB2 GLN 127 - HA THR 54 far 0 99 0 - 9.8-11.7 HG3 PRO 113 - HA THR 54 far 0 100 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 9272 from cnoeabs.peaks (1.97, 1.24, 21.56 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.68: HB3 LEU 53 + QG2 THR 54 OK 68 71 100 96 2.9-3.6 3.0/9263=59, 3.1/9278=59...(5) HB2 GLU 55 - QG2 THR 54 far 8 78 10 - 4.8-6.7 Violated in 0 structures by 0.00 A. Peak 9275 from cnoeabs.peaks (0.90, 1.24, 21.56 ppm; 3.44 A increased from 3.24 A): 2 out of 7 assignments used, quality = 0.91: QD2 LEU 123 + QG2 THR 54 OK 80 85 100 94 2.1-3.5 11583=76, 2.1/11640=39...(8) QD1 LEU 123 + QG2 THR 54 OK 55 73 85 88 3.1-4.3 2.1/11583=66, 11640=31...(9) QD1 LEU 62 - QG2 THR 54 far 0 97 0 - 5.8-6.6 QD2 LEU 48 - QG2 THR 54 far 0 100 0 - 6.6-7.8 QD1 LEU 49 - QG2 THR 54 far 0 98 0 - 7.5-7.8 QD1 LEU 48 - QG2 THR 54 far 0 83 0 - 8.1-9.2 QG1 VAL 118 - QG2 THR 54 far 0 100 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 9277 from cnoeabs.peaks (0.88, 4.42, 61.58 ppm; 5.12 A): 1 out of 3 assignments used, quality = 0.99: QD2 LEU 123 + HA THR 54 OK 99 100 100 99 3.6-5.0 11583/1698=93, 11569=46...(8) QG2 VAL 57 - HA THR 54 far 4 81 5 - 5.7-6.2 QD2 LEU 48 - HA THR 54 far 0 71 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 9278 from cnoeabs.peaks (0.78, 1.24, 21.56 ppm; 4.65 A increased from 4.37 A): 1 out of 7 assignments used, quality = 0.96: QD1 LEU 53 + QG2 THR 54 OK 96 97 100 100 4.0-4.9 11639/11583=78...(9) QD2 LEU 119 - QG2 THR 54 far 0 87 0 - 6.9-7.7 QD2 LEU 49 - QG2 THR 54 far 0 93 0 - 7.1-7.8 QD1 LEU 122 - QG2 THR 54 far 0 73 0 - 7.1-10.0 QD2 LEU 122 - QG2 THR 54 far 0 100 0 - 8.7-9.8 QD1 LEU 96 - QG2 THR 54 far 0 97 0 - 9.1-10.0 QD1 LEU 103 - QG2 THR 54 far 0 100 0 - 9.2-10.5 Violated in 2 structures by 0.02 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 1.8-2.2 4.8=87, 9283/3.0=65...(20) HD3 PRO 56 + HB2 GLU 55 OK 100 100 100 100 3.3-3.6 4.8=87, 4.8/6692=53...(25) 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: HD3 PRO 56 + HB3 GLU 55 OK 100 100 100 100 3.6-4.8 4.8=74, 4.8/6693=48...(32) HD2 PRO 56 + HB3 GLU 55 OK 100 100 100 100 2.6-3.7 4.8=74, 9283/3.0=59...(27) Violated in 0 structures by 0.00 A. Peak 9283 from cnoeabs.peaks (3.65, 2.47, 33.76 ppm; 4.67 A): 1 out of 2 assignments used, quality = 0.99: HD2 PRO 56 + HG2 GLU 55 OK 99 99 100 100 3.7-4.6 10912=87, 9284/1.8=78...(26) HD3 PRO 56 - HG2 GLU 55 far 10 100 10 - 4.9-5.4 Violated in 0 structures by 0.00 A. Peak 9284 from cnoeabs.peaks (3.63, 2.40, 33.76 ppm; 4.74 A increased from 4.46 A): 2 out of 7 assignments used, quality = 0.85: HD2 PRO 56 + HG3 GLU 55 OK 63 63 100 100 2.5-4.6 9291=74, 9283/1.8=72...(26) HD2 PRO 58 + HG3 GLN 61 OK 60 61 100 98 3.7-4.9 10934/1.8=71...(12) HD3 PRO 56 - HG3 GLU 55 far 8 83 10 - 3.6-5.7 HD2 PRO 58 - HG3 GLU 55 far 0 97 0 - 6.5-10.2 HA3 GLY 66 - HG3 GLN 61 far 0 67 0 - 8.2-9.1 HA2 GLY 66 - HG3 GLN 61 far 0 67 0 - 8.5-9.4 HD2 PRO 56 - HG3 GLN 61 far 0 35 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 9285 from cnoeabs.peaks (3.83, 2.47, 33.76 ppm; 6.80 A increased from 6.70 A): 1 out of 5 assignments used, quality = 0.40: HD2 PRO 81 + HG3 GLN 82 OK 40 40 100 100 3.9-7.2 ~11247=74, ~11250=67...(10) HA LEU 62 - HG2 GLU 55 far 0 87 0 - 7.7-10.6 HD3 PRO 58 - HG2 GLU 55 far 0 99 0 - 8.5-10.3 HB2 SER 50 - HG2 GLU 55 far 0 97 0 - 8.8-10.9 HA LEU 123 - HG2 GLU 55 far 0 83 0 - 9.7-12.1 Violated in 5 structures by 0.06 A. Peak 9286 from cnoeabs.peaks (3.88, 2.40, 33.76 ppm; 6.80 A): 0 out of 5 assignments used, quality = 0.00: HB2 SER 60 - HG3 GLN 61 poor 5 39 55 24 6.4-7.8 4.6/1952=20, 1912/6788=2 HB3 SER 60 - HG3 GLN 61 poor 5 39 55 24 6.3-8.1 4.6/1952=20, 1912/6788=2 HB3 SER 50 - HG3 GLU 55 far 0 99 0 - 8.1-11.5 HA2 GLY 2 - HG3 GLU 55 far 0 97 0 - 8.6-72.8 HA3 GLY 2 - HG3 GLU 55 far 0 97 0 - 9.7-72.6 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 1 assignment used, quality = 0.00: HG LEU 49 - HG2 GLU 55 far 0 97 0 - 9.2-11.7 Violated in 20 structures by 4.87 A. Peak 9288 from cnoeabs.peaks (1.23, 2.47, 33.76 ppm; 5.28 A): 1 out of 4 assignments used, quality = 0.87: QG2 THR 54 + HG2 GLU 55 OK 87 90 100 97 3.6-5.1 4.2/6694=74, 9289/1.8=57...(5) HG12 ILE 80 - HG3 GLN 82 poor 11 55 20 - 4.4-7.8 QG2 THR 83 - HG3 GLN 82 far 0 54 0 - 6.3-7.2 QG2 THR 65 - HG2 GLU 55 far 0 100 0 - 7.9-9.6 Violated in 0 structures by 0.00 A. Peak 9289 from cnoeabs.peaks (1.21, 2.40, 33.76 ppm; 6.40 A): 2 out of 4 assignments used, quality = 0.77: QG2 THR 54 + HG3 GLU 55 OK 63 63 100 100 2.7-6.3 9288/1.8=95, 4.2/6695=92...(5) QG2 THR 65 + HG3 GLN 61 OK 37 55 100 68 5.1-5.8 9432/10033=59, 9440/9242=20 QG2 THR 65 - HG3 GLU 55 far 0 90 0 - 8.4-10.7 QG2 THR 54 - HG3 GLN 61 far 0 35 0 - 8.9-10.4 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 3.6-5.7 ~9283=77, ~10912=75...(27) HG3 GLU 55 + HD2 PRO 56 OK 77 77 100 100 2.5-4.6 1.8/9283=97, 9284=77...(25) 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 8 assignments used, quality = 0.98: QG1 VAL 57 + HD3 PRO 56 OK 89 89 100 100 5.4-5.8 10917/3.6=80...(9) QG1 VAL 57 + HD2 PRO 56 OK 81 81 100 100 4.3-4.8 9294/9283=88...(10) QD1 LEU 62 - HD2 PRO 56 far 0 79 0 - 7.8-9.0 QD1 LEU 62 - HD3 PRO 56 far 0 87 0 - 7.9-9.1 QD1 LEU 119 - HD3 PRO 56 far 0 97 0 - 9.1-10.2 QD2 LEU 48 - HD2 PRO 56 far 0 68 0 - 9.5-10.7 QG2 VAL 112 - HD3 PRO 56 far 0 99 0 - 9.7-10.8 QD1 LEU 119 - HD2 PRO 56 far 0 91 0 - 9.8-10.8 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 5.0-5.1 4.8=100 H GLU 55 + HD2 PRO 56 OK 95 95 100 100 4.7-4.8 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 8 assignments used, quality = 0.59: QG1 VAL 57 + HG2 GLU 55 OK 59 71 90 93 3.7-5.1 9315/3.0=39, ~9314=37...(8) QD1 LEU 62 - HG2 GLU 55 far 0 97 0 - 5.5-8.6 QD2 LEU 48 - HG2 GLU 55 far 0 92 0 - 6.7-8.1 QD1 LEU 123 - HG2 GLU 55 far 0 100 0 - 7.8-9.4 QD1 LEU 119 - HG2 GLU 55 far 0 87 0 - 8.8-11.6 QD1 LEU 48 - HG2 GLU 55 far 0 100 0 - 8.9-10.0 QD1 LEU 49 - HG2 GLU 55 far 0 97 0 - 9.0-11.1 QG1 VAL 20 - HG3 GLN 82 far 0 53 0 - 10.0-33.2 Violated in 2 structures by 0.10 A. Peak 9295 from cnoeabs.peaks (7.53, 0.86, 19.35 ppm; 4.96 A increased from 4.41 A): 1 out of 2 assignments used, quality = 0.59: H THR 54 + QG2 VAL 57 OK 59 81 100 73 4.4-4.8 6674/9304=45...(4) H LEU 119 - QG2 VAL 57 far 0 93 0 - 7.4-8.6 Violated in 0 structures by 0.00 A. Peak 9296 from cnoeabs.peaks (7.45, 0.86, 19.35 ppm; 4.46 A): 1 out of 3 assignments used, quality = 0.87: H LEU 62 + QG2 VAL 57 OK 87 89 100 98 4.0-4.6 6794/9316=57...(11) H GLN 61 - QG2 VAL 57 far 0 57 0 - 5.3-5.8 HE22 GLN 127 - QG2 VAL 57 far 0 71 0 - 9.6-11.4 Violated in 3 structures by 0.01 A. Peak 9297 from cnoeabs.peaks (7.54, 0.95, 21.50 ppm; 5.52 A): 1 out of 3 assignments used, quality = 0.76: HE22 GLN 61 + QG1 VAL 57 OK 76 76 100 100 2.3-4.4 1.7/9376=98, 3.5/9377=89...(15) H THR 54 - QG1 VAL 57 far 9 95 10 - 5.9-6.4 H LEU 119 - QG1 VAL 57 far 0 99 0 - 9.9-10.9 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 GLN 61 + QG1 VAL 57 OK 99 99 100 100 5.3-5.8 4.5/9377=73...(9) H LEU 62 + QG1 VAL 57 OK 99 99 100 100 4.8-5.6 6795/10923=74...(11) 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 2 assignments used, quality = 1.00: HE21 GLN 61 + QG1 VAL 57 OK 100 100 100 100 2.4-3.5 9376=98, 3.5/9377=95...(13) HE21 GLN 68 - QG1 VAL 57 far 0 87 0 - 9.5-11.9 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 2 assignments used, quality = 1.00: HE21 GLN 61 + QG2 VAL 57 OK 100 100 100 100 1.7-4.7 9376/2.1=98...(13) HE21 GLN 68 - QG2 VAL 57 far 0 87 0 - 9.7-12.0 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 2 assignments used, quality = 0.99: HD2 PRO 58 + HB VAL 57 OK 99 99 100 100 1.9-2.6 9309/2.1=85, 1.8/9303=78...(19) HD3 PRO 56 - HB VAL 57 far 0 73 0 - 8.1-8.2 Violated in 0 structures by 0.00 A. Peak 9303 from cnoeabs.peaks (3.82, 2.09, 32.84 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 58 + HB VAL 57 OK 100 100 100 100 3.4-3.9 9308/2.1=84, 1.8/9302=79...(17) HA LEU 62 - HB VAL 57 far 0 78 0 - 4.9-5.5 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 2 assignments used, quality = 0.97: HA ALA 52 + QG2 VAL 57 OK 97 97 100 100 2.7-3.3 10908=92, 2.1/9317=92...(15) HA3 GLY 114 - QG2 VAL 57 far 0 87 0 - 5.7-8.7 Violated in 0 structures by 0.00 A. Peak 9305 from cnoeabs.peaks (3.83, 0.86, 19.35 ppm; 4.66 A increased from 4.14 A): 2 out of 4 assignments used, quality = 1.00: HD3 PRO 58 + QG2 VAL 57 OK 97 97 100 100 4.6-4.8 4.6=100 HA LEU 62 + QG2 VAL 57 OK 91 92 100 100 4.0-4.6 3.9/9319=76, 3.7/9316=74...(10) HA LEU 123 - QG2 VAL 57 far 0 89 0 - 8.1-8.7 HB2 SER 50 - QG2 VAL 57 far 0 99 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 9306 from cnoeabs.peaks (3.62, 0.86, 19.35 ppm; 4.12 A): 1 out of 4 assignments used, quality = 1.00: HD2 PRO 58 + QG2 VAL 57 OK 100 100 100 100 3.6-4.0 9309/2.1=87, 9302/2.1=75...(22) HD3 PRO 56 - QG2 VAL 57 far 0 60 0 - 5.2-5.5 HA3 GLY 66 - QG2 VAL 57 far 0 95 0 - 8.9-9.4 HA2 GLY 66 - QG2 VAL 57 far 0 99 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 9307 from cnoeabs.peaks (4.13, 0.95, 21.50 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: HA ALA 52 + QG1 VAL 57 OK 99 99 100 100 3.3-3.9 2.1/9312=100, ~9317=100...(16) HA LEU 49 + QG1 VAL 57 OK 39 85 100 46 6.2-7.2 1631/9312=44 HA LEU 48 - QG1 VAL 57 poor 18 89 20 - 7.3-8.1 HA3 GLY 114 - QG1 VAL 57 far 0 100 0 - 8.3-10.9 Violated in 0 structures by 0.00 A. Peak 9308 from cnoeabs.peaks (3.82, 0.95, 21.50 ppm; 4.26 A): 1 out of 3 assignments used, quality = 1.00: HD3 PRO 58 + QG1 VAL 57 OK 100 100 100 100 3.0-3.3 3.9=100 HA LEU 62 - QG1 VAL 57 far 0 78 0 - 5.2-5.8 HA LEU 123 - QG1 VAL 57 far 0 73 0 - 9.9-10.8 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 3 assignments used, quality = 0.99: HD2 PRO 58 + QG1 VAL 57 OK 99 99 100 100 2.2-2.6 3.9=100 HD3 PRO 56 - QG1 VAL 57 far 0 71 0 - 5.4-5.8 HA3 GLY 66 - QG1 VAL 57 far 0 98 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 9311 from cnoeabs.peaks (1.65, 0.95, 21.50 ppm; 4.88 A increased from 4.34 A): 1 out of 3 assignments used, quality = 1.00: HG LEU 62 + QG1 VAL 57 OK 100 100 100 100 4.4-5.0 9316/2.1=97...(11) HG LEU 119 - QG1 VAL 57 far 0 63 0 - 8.4-9.5 HB2 LEU 123 - QG1 VAL 57 far 0 100 0 - 9.7-11.3 Violated in 1 structures by 0.01 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 2.6-3.2 9317/2.1=92, 9241/2.1=75...(15) HB2 LEU 49 - QG1 VAL 57 far 0 89 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 9314 from cnoeabs.peaks (1.98, 0.86, 19.35 ppm; 3.81 A increased from 3.58 A): 1 out of 5 assignments used, quality = 0.93: HB2 GLU 55 + QG2 VAL 57 OK 93 97 100 96 3.6-3.9 9315/2.1=72...(11) HG2 PRO 56 - QG2 VAL 57 far 0 63 0 - 5.0-5.3 HB3 PRO 56 - QG2 VAL 57 far 0 81 0 - 5.3-5.5 HB3 LEU 53 - QG2 VAL 57 far 0 93 0 - 5.4-6.0 HG3 PRO 56 - QG2 VAL 57 far 0 63 0 - 6.0-6.2 Violated in 2 structures by 0.01 A. Peak 9315 from cnoeabs.peaks (1.98, 0.95, 21.50 ppm; 3.68 A): 1 out of 5 assignments used, quality = 0.92: HB2 GLU 55 + QG1 VAL 57 OK 92 99 100 93 3.3-3.8 9314/2.1=65, 3.0/9294=36...(10) HG2 PRO 56 - QG1 VAL 57 far 4 73 5 - 4.2-4.6 HB3 PRO 56 - QG1 VAL 57 far 0 89 0 - 5.5-5.8 HG3 PRO 56 - QG1 VAL 57 far 0 73 0 - 5.5-6.0 HB3 LEU 53 - QG1 VAL 57 far 0 97 0 - 7.5-8.0 Violated in 3 structures by 0.01 A. Peak 9316 from cnoeabs.peaks (1.65, 0.86, 19.35 ppm; 3.63 A): 1 out of 2 assignments used, quality = 0.98: HG LEU 62 + QG2 VAL 57 OK 98 99 100 99 2.2-3.1 2.1/9319=80, 9311/2.1=40...(10) HB2 LEU 123 - QG2 VAL 57 far 0 100 0 - 7.5-9.0 Violated in 0 structures by 0.00 A. Peak 9317 from cnoeabs.peaks (1.48, 0.86, 19.35 ppm; 3.18 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 52 + QG2 VAL 57 OK 100 100 100 100 1.8-2.6 9312/2.1=62, 10964=59...(19) HB2 LEU 49 - QG2 VAL 57 far 0 87 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. Peak 9318 from cnoeabs.peaks (1.25, 0.86, 19.35 ppm; 4.27 A): 0 out of 2 assignments used, quality = 0.00: QG2 THR 54 - QG2 VAL 57 far 0 99 0 - 5.1-6.1 QG2 THR 65 - QG2 VAL 57 far 0 83 0 - 6.0-6.5 Violated in 20 structures by 1.10 A. Peak 9319 from cnoeabs.peaks (0.67, 0.86, 19.35 ppm; 3.23 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 62 + QG2 VAL 57 OK 99 100 100 100 2.0-2.6 10032=75, 2.1/9316=58...(11) QD2 LEU 100 - QG2 VAL 57 far 0 100 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 9321 from cnoeabs.peaks (1.46, 2.09, 32.84 ppm; 6.30 A): 1 out of 1 assignment used, quality = 0.85: QB ALA 52 + HB VAL 57 OK 85 85 100 100 3.4-4.1 ~9304=93, 9312/2.1=92...(17) Violated in 0 structures by 0.00 A. Peak 9322 from cnoeabs.peaks (2.00, 4.59, 58.62 ppm; 4.71 A increased from 4.43 A): 2 out of 5 assignments used, quality = 0.96: HG2 PRO 56 + HA VAL 57 OK 85 100 100 85 5.1-5.1 ~9292=38, 6700/3.0=22...(10) HG2 PRO 58 + HA VAL 57 OK 73 73 100 100 4.4-4.6 ~9309=49, ~9308=48...(22) HB3 PRO 56 - HA VAL 57 far 0 100 0 - 5.6-5.7 HB2 GLU 55 - HA VAL 57 far 0 96 0 - 5.7-5.9 HG3 PRO 56 - HA VAL 57 far 0 100 0 - 6.4-6.5 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 7 assignments used, quality = 0.99: QG1 VAL 57 + HD2 PRO 58 OK 99 99 100 100 2.2-2.6 3.9=100 QD1 LEU 62 - HD2 PRO 58 far 0 63 0 - 5.9-6.5 QD2 LEU 53 - HD2 PRO 58 far 0 71 0 - 7.3-8.8 QG2 VAL 112 - HD2 PRO 58 far 0 87 0 - 7.6-8.7 QD1 LEU 119 - HD2 PRO 58 far 0 100 0 - 8.6-9.2 QG1 VAL 112 - HD2 PRO 58 far 0 68 0 - 8.7-10.1 QD1 LEU 48 - HD2 PRO 58 far 0 87 0 - 9.6-10.5 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 1 assignment used, quality = 0.85: QG2 VAL 57 + HD2 PRO 58 OK 85 85 100 100 3.6-4.0 4.6=100 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 6 assignments used, quality = 0.99: QG1 VAL 57 + HD3 PRO 58 OK 99 99 100 100 3.0-3.3 3.9=100 QD1 LEU 62 - HD3 PRO 58 far 0 63 0 - 6.7-7.4 QG2 VAL 112 - HD3 PRO 58 far 0 87 0 - 6.8-8.0 QG1 VAL 112 - HD3 PRO 58 far 0 68 0 - 8.1-9.4 QD2 LEU 53 - HD3 PRO 58 far 0 71 0 - 8.4-9.7 QD1 LEU 119 - HD3 PRO 58 far 0 100 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 9326 from cnoeabs.peaks (0.84, 3.82, 50.62 ppm; 4.86 A increased from 4.57 A): 1 out of 1 assignment used, quality = 0.76: QG2 VAL 57 + HD3 PRO 58 OK 76 76 100 100 4.6-4.8 4.6=100 Violated in 0 structures by 0.00 A. Peak 9327 from cnoeabs.peaks (0.81, 1.95, 32.16 ppm; 6.80 A): 3 out of 17 assignments used, quality = 0.94: QD2 LEU 119 + HB2 PRO 58 OK 90 97 100 93 6.0-7.0 10927/2.3=90...(3) QD1 LEU 122 + HB3 LYS 95 OK 24 83 55 52 4.9-8.4 9498/11658=29...(7) QD2 LEU 122 + HB3 LYS 95 OK 22 53 95 44 4.7-7.9 10382/11652=12...(8) QD2 LEU 122 - HB2 LYS 95 poor 18 47 85 44 5.2-8.8 10387/11658=12...(9) QD1 LEU 122 - HB2 LYS 95 poor 15 76 20 - 5.4-8.9 QG2 ILE 129 - HB2 LYS 95 far 11 72 15 - 7.0-7.7 QD1 LEU 70 - HB2 LYS 95 far 0 75 0 - 7.5-8.0 QD1 LEU 70 - HB3 LYS 95 far 0 82 0 - 8.0-8.6 QG2 ILE 129 - HB3 LYS 95 far 0 79 0 - 8.0-9.1 QG1 VAL 63 - HB2 PRO 58 far 0 60 0 - 8.0-8.3 QD2 LEU 49 - HB2 LYS 95 far 0 65 0 - 8.4-9.6 QD2 LEU 49 - HB3 LYS 95 far 0 73 0 - 8.6-9.8 QD1 LEU 53 - HB3 LYS 95 far 0 68 0 - 8.8-11.3 QD1 LEU 53 - HB2 PRO 58 far 0 87 0 - 9.0-11.5 QD1 LEU 53 - HB2 LYS 95 far 0 61 0 - 9.0-12.0 QD1 LEU 122 - HB2 PRO 58 far 0 100 0 - 9.4-12.8 QD2 LEU 122 - HB2 PRO 58 far 0 71 0 - 9.9-13.0 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 4.2-4.4 10975=98, 10978/2.3=88...(11) Violated in 0 structures by 0.00 A. Peak 9331 from cnoeabs.peaks (7.44, 2.41, 32.16 ppm; 5.38 A): 1 out of 2 assignments used, quality = 0.85: H GLN 61 + HB3 PRO 58 OK 85 87 100 98 4.2-4.5 10981/1.8=72...(7) H LEU 62 - HB3 PRO 58 far 0 100 0 - 6.2-6.5 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 3 assignments used, quality = 0.85: H SER 60 + HB2 PRO 58 OK 85 85 100 100 2.6-2.9 10975/1.8=68...(13) H HIS 8 - HB3 LYS 95 far 4 79 5 - 5.5-48.8 H HIS 8 - HB2 LYS 95 far 0 72 0 - 6.9-48.0 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 2 assignments used, quality = 0.95: H GLN 61 + HB2 PRO 58 OK 81 87 100 94 2.7-2.9 9331/1.8=61, 4.6/9332=44...(9) H LEU 62 + HB2 PRO 58 OK 73 100 100 73 4.9-5.2 3.9/10981=31...(8) 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 3.9-4.2 9338=94, 6721/6709=88...(10) Violated in 0 structures by 0.00 A. Peak 9354 from cnoeabs.peaks (0.91, 2.62, 38.37 ppm; 5.12 A): 3 out of 4 assignments used, quality = 1.00: QG2 VAL 63 + HB2 ASN 59 OK 100 100 100 100 3.5-4.2 10967=100, 10968/1.8=78...(13) QD1 LEU 62 + HB2 ASN 59 OK 100 100 100 100 4.4-4.9 10947=96, 9388/3.0=89...(27) QG1 VAL 118 + HB2 ASN 59 OK 54 97 70 79 5.0-6.4 11612/11833=41...(6) QG2 VAL 112 - HB2 ASN 59 poor 15 93 25 66 5.4-6.6 10732/9353=56...(3) Violated in 0 structures by 0.00 A. Peak 9355 from cnoeabs.peaks (0.77, 2.62, 38.37 ppm; 4.83 A): 2 out of 6 assignments used, quality = 0.98: QD1 LEU 103 + HB2 ASN 59 OK 95 95 100 100 1.9-2.8 11833=91, 11834/1.8=84...(20) QD2 LEU 103 + HB2 ASN 59 OK 63 63 100 100 3.3-4.0 2.1/11833=85, ~11834=65...(21) QG1 VAL 63 - HB2 ASN 59 far 0 93 0 - 6.0-6.7 QD2 LEU 122 - HB2 ASN 59 far 0 87 0 - 6.2-9.1 QD1 LEU 53 - HB2 ASN 59 far 0 71 0 - 7.6-9.5 QD2 LEU 49 - HB2 ASN 59 far 0 63 0 - 8.5-9.2 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 3 assignments used, quality = 0.86: QB ALA 109 + HB3 ASN 59 OK 80 81 100 99 1.9-3.7 9353/1.8=90, 9359/3.0=49...(9) QB ALA 108 + HB3 ASN 59 OK 29 71 95 43 5.5-6.6 9341/3.5=29, 9346/3.5=19 QB ALA 110 - HB3 ASN 59 poor 14 65 95 22 4.7-6.7 9349/6718=15, 9346/3.5=5 Violated in 0 structures by 0.00 A. Peak 9357 from cnoeabs.peaks (0.91, 2.87, 38.37 ppm; 5.11 A increased from 4.81 A): 4 out of 5 assignments used, quality = 1.00: QG2 VAL 63 + HB3 ASN 59 OK 100 100 100 100 4.3-5.1 10967/1.8=93, 10968=69...(13) QD1 LEU 62 + HB3 ASN 59 OK 90 100 90 100 4.6-5.8 9388/3.0=89...(27) QG2 VAL 112 + HB3 ASN 59 OK 51 97 95 55 4.3-5.7 11496/9356=48...(3) QD1 LEU 119 + HB3 ASN 59 OK 43 63 85 81 4.8-6.2 2.1/9363=35, ~9355=29...(9) QG1 VAL 118 - HB3 ASN 59 far 0 93 0 - 6.3-7.8 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): 2 out of 12 assignments used, quality = 0.86: HG2 LYS 24 + HA LYS 24 OK 77 77 100 100 2.8-3.5 4.1=90, 2.9/502=80...(31) QB ALA 109 + HA ASN 59 OK 41 98 50 83 3.9-5.3 9356/3.0=40, 9353/3.0=37...(8) QB ALA 28 - HA LYS 24 far 0 84 0 - 4.8-13.4 QB ALA 34 - HA LYS 24 far 0 71 0 - 5.7-14.1 QB ALA 110 - HA ASN 59 far 0 92 0 - 6.4-8.2 HG3 LYS 26 - HA LYS 24 far 0 81 0 - 6.9-8.6 QB ALA 108 - HA ASN 59 far 0 95 0 - 7.4-8.5 HG3 LYS 31 - HA LYS 24 far 0 92 0 - 7.6-20.0 QB ALA 29 - HA LYS 24 far 0 79 0 - 8.4-15.1 HB2 LEU 42 - HA ASP 47 far 0 39 0 - 9.8-10.4 QB ALA 16 - HA LYS 24 far 0 92 0 - 9.9-16.6 HB3 LEU 100 - HA ASN 59 far 0 87 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 9360 from cnoeabs.peaks (1.15, 4.33, 56.25 ppm; 5.11 A increased from 4.81 A): 1 out of 5 assignments used, quality = 1.00: HB3 LEU 62 + HA ASN 59 OK 100 100 100 100 2.5-4.9 1.8/1880=96, 3.2/9388=87...(24) QG2 THR 115 - HA ASN 59 poor 12 92 30 45 5.4-6.6 10196/9359=22...(3) HG12 ILE 32 - HA LYS 24 far 0 86 0 - 7.3-14.3 QG2 THR 18 - HA LYS 24 far 0 69 0 - 8.0-11.8 QG2 VAL 132 - HA ASP 47 far 0 48 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 9361 from cnoeabs.peaks (0.92, 4.33, 56.25 ppm; 3.48 A): 2 out of 14 assignments used, quality = 0.99: QD1 LEU 62 + HA ASN 59 OK 99 100 100 99 2.7-3.4 9388=80, 3.2/1880=41...(18) QG2 VAL 63 + HA ASN 59 OK 40 99 45 90 3.8-4.5 10967/3.0=38...(14) QD1 LEU 22 - HA LYS 24 poor 17 66 25 - 3.6-6.8 QD1 LEU 119 - HA ASN 59 far 0 73 0 - 4.2-5.3 QD1 LEU 49 - HA ASP 47 far 0 52 0 - 4.5-5.7 QD2 LEU 48 - HA ASP 47 far 0 49 0 - 5.4-6.6 QD1 LEU 123 - HA ASP 47 far 0 49 0 - 5.5-6.2 QG1 VAL 118 - HA ASN 59 far 0 87 0 - 5.6-7.0 QG2 VAL 112 - HA ASN 59 far 0 99 0 - 5.8-6.8 QG2 VAL 20 - HA LYS 24 far 0 59 0 - 5.8-8.6 QD1 LEU 48 - HA ASP 47 far 0 51 0 - 6.3-6.8 QG1 VAL 20 - HA LYS 24 far 0 89 0 - 7.7-10.0 QD1 LEU 49 - HA ASN 59 far 0 100 0 - 9.6-10.3 QD1 LEU 62 - HA ASP 47 far 0 52 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 9362 from cnoeabs.peaks (0.75, 4.33, 56.25 ppm; 5.26 A): 2 out of 8 assignments used, quality = 0.99: QD2 LEU 103 + HA ASN 59 OK 99 99 100 100 3.2-3.9 10350=94, 11829/3.0=80...(26) QD2 LEU 43 + HA ASP 47 OK 22 51 50 87 5.5-6.3 9176/10901=61...(4) QD1 ILE 32 - HA LYS 24 far 0 54 0 - 6.7-12.1 HG12 ILE 129 - HA ASP 47 far 0 53 0 - 8.1-11.1 QG1 VAL 93 - HA LYS 24 far 0 94 0 - 8.5-22.3 QD2 LEU 96 - HA ASP 47 far 0 53 0 - 8.5-9.9 QD1 LEU 96 - HA ASP 47 far 0 33 0 - 8.6-9.0 QD1 LEU 96 - HA ASN 59 far 0 76 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 9363 from cnoeabs.peaks (0.77, 2.87, 38.37 ppm; 5.44 A): 2 out of 6 assignments used, quality = 0.99: QD1 LEU 103 + HB3 ASN 59 OK 98 98 100 100 3.3-4.4 11834=95, 11833/1.8=95...(20) QD2 LEU 119 + HB3 ASN 59 OK 51 63 100 81 3.5-4.7 9355/1.8=37...(11) QG1 VAL 63 - HB3 ASN 59 far 0 97 0 - 6.8-7.6 QD2 LEU 122 - HB3 ASN 59 far 0 93 0 - 7.7-10.5 QD1 LEU 53 - HB3 ASN 59 far 0 81 0 - 8.2-10.6 QD2 LEU 49 - HB3 ASN 59 far 0 73 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 9364 from cnoeabs.peaks (1.56, 2.87, 38.37 ppm; 6.45 A): 1 out of 3 assignments used, quality = 1.00: HG LEU 103 + HB3 ASN 59 OK 100 100 100 100 4.5-5.3 2.1/11834=99...(20) HB2 LEU 103 - HB3 ASN 59 far 13 85 15 - 7.0-7.9 HB2 LEU 119 - HB3 ASN 59 far 5 95 5 - 6.8-8.3 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 0 98 0 - 9.2-9.8 Violated in 20 structures by 2.89 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 7 assignments used, quality = 1.00: QG1 VAL 57 + HG2 GLN 61 OK 100 100 100 100 2.0-3.9 10937/1.8=75...(25) QD1 LEU 48 - HG2 GLN 61 far 0 78 0 - 6.0-8.0 QD2 LEU 53 - HG2 GLN 61 far 0 81 0 - 6.3-8.0 QD1 LEU 119 - HG2 GLN 61 far 0 100 0 - 9.2-10.6 QG2 VAL 126 - HG2 GLN 61 far 0 87 0 - 9.3-11.1 QG1 VAL 126 - HG2 GLN 61 far 0 97 0 - 9.4-10.9 QG2 VAL 112 - HG2 GLN 61 far 0 78 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 9378 from cnoeabs.peaks (0.87, 2.10, 28.56 ppm; 4.21 A increased from 3.97 A): 1 out of 8 assignments used, quality = 0.96: QG2 VAL 57 + HB3 GLN 61 OK 96 96 100 100 3.7-4.5 10938/3.0=65...(29) QD1 LEU 98 - HB2 GLU 102 far 5 55 10 - 3.9-6.6 QG1 VAL 118 - HB2 GLU 102 far 5 36 15 - 2.7-5.3 QG2 VAL 57 - HB2 GLN 61 far 0 95 0 - 4.9-5.6 QD2 LEU 98 - HB2 GLU 102 far 0 61 0 - 6.1-7.6 QG1 VAL 118 - HB3 GLN 61 far 0 71 0 - 9.0-10.2 QD2 LEU 70 - HB2 GLU 102 far 0 47 0 - 9.4-10.5 QG2 VAL 20 - HB3 GLN 82 far 0 67 0 - 9.7-30.2 Violated in 2 structures by 0.02 A. Peak 9379 from cnoeabs.peaks (0.89, 4.28, 57.87 ppm; 5.38 A increased from 4.53 A): 1 out of 6 assignments used, quality = 0.87: QG2 VAL 63 + HA GLN 61 OK 87 89 100 98 5.0-5.5 4.4/6819=64, 3.7/6803=54...(8) QD1 LEU 62 - HA GLN 61 far 0 83 0 - 6.5-6.9 QD2 LEU 48 - HA GLN 61 far 0 92 0 - 7.2-9.5 QD1 LEU 49 - HA GLN 61 far 0 85 0 - 8.2-8.9 QG1 VAL 118 - HA GLN 61 far 0 99 0 - 9.3-10.5 QD2 LEU 69 - HA GLN 61 far 0 73 0 - 9.6-10.2 Violated in 1 structures by 0.01 A. Peak 9383 from cnoeabs.peaks (7.94, 3.85, 57.95 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.90: H ASP 64 + HA LEU 62 OK 90 90 100 100 4.8-5.0 4.2/6834=95, 6815/3.6=90...(5) HD22 ASN 116 - HA LEU 62 far 0 68 0 - 9.3-11.1 H VAL 112 - HA LEU 62 far 0 99 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 9384 from cnoeabs.peaks (8.89, 0.68, 23.19 ppm; 4.03 A): 1 out of 4 assignments used, quality = 0.65: H GLY 66 + QD2 LEU 100 OK 65 65 100 100 2.7-3.1 9435=86, 6864/9461=46...(16) H GLY 66 - QD2 LEU 62 far 0 99 0 - 4.7-5.2 H ASN 59 - QD2 LEU 62 far 0 100 0 - 6.4-6.7 H ASN 59 - QD2 LEU 100 far 0 66 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 9385 from cnoeabs.peaks (8.91, 0.91, 26.02 ppm; 5.41 A): 1 out of 2 assignments used, quality = 0.78: H ASN 59 + QD1 LEU 62 OK 78 78 100 100 4.6-5.4 2.9/9388=94...(27) H GLY 66 - QD1 LEU 62 far 0 93 0 - 6.1-6.5 Violated in 0 structures by 0.00 A. Peak 9386 from cnoeabs.peaks (3.37, 0.68, 23.19 ppm; 3.34 A): 1 out of 5 assignments used, quality = 0.66: HA VAL 63 + QD2 LEU 100 OK 66 66 100 100 1.8-2.5 9397=80, 3.2/10974=46...(24) HB2 HIS 67 - QD2 LEU 100 poor 12 41 30 - 3.6-5.4 HA VAL 63 - QD2 LEU 62 far 0 100 0 - 5.4-5.7 HB2 HIS 67 - QD2 LEU 62 far 0 73 0 - 8.5-10.2 HB3 TYR 72 - QD2 LEU 100 far 0 38 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 9387 from cnoeabs.peaks (4.32, 0.68, 23.19 ppm; 5.08 A): 1 out of 5 assignments used, quality = 0.92: HA ASN 59 + QD2 LEU 62 OK 92 92 100 100 4.8-5.1 9388/2.1=89, 1880/3.1=70...(19) HA ASN 59 - QD2 LEU 100 far 0 56 0 - 6.7-7.4 HA LEU 69 - QD2 LEU 100 far 0 59 0 - 7.4-7.8 HA ASP 47 - QD2 LEU 62 far 0 73 0 - 8.2-8.6 HA LEU 69 - QD2 LEU 62 far 0 96 0 - 9.8-10.3 Violated in 2 structures by 0.00 A. Peak 9388 from cnoeabs.peaks (4.33, 0.91, 26.02 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: HA ASN 59 + QD1 LEU 62 OK 100 100 100 100 2.7-3.4 9361=71, 1880/3.2=47...(18) HA ASP 47 - QD1 LEU 62 far 0 98 0 - 9.8-10.6 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 3 assignments used, quality = 0.00: QB ALA 109 - QD1 LEU 62 far 0 71 0 - 5.5-6.3 QB ALA 108 - QD1 LEU 62 far 0 60 0 - 8.7-9.4 HG LEU 96 - QD1 LEU 62 far 0 90 0 - 9.5-10.4 Violated in 20 structures by 1.50 A. Peak 9395 from cnoeabs.peaks (0.77, 2.06, 42.10 ppm; 4.33 A): 2 out of 7 assignments used, quality = 0.97: QD1 LEU 103 + HB2 LEU 62 OK 96 97 100 100 3.3-4.5 ~11823=62, ~11721=59...(18) QD1 LEU 53 + HB2 LEU 62 OK 25 76 35 96 3.9-6.2 ~10338=45, ~10338=43...(13) QD2 LEU 49 - HB2 LEU 62 poor 17 68 25 - 4.2-5.5 QD2 LEU 122 - HB2 LEU 62 far 14 90 15 - 4.0-7.1 QG1 VAL 63 - HB2 LEU 62 far 0 96 0 - 5.5-5.9 QD1 LEU 96 - HB2 LEU 62 far 0 100 0 - 6.7-8.1 QD2 LEU 96 - HB2 LEU 62 far 0 78 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 9397 from cnoeabs.peaks (0.68, 3.37, 66.55 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 100 + HA VAL 63 OK 100 100 100 100 1.8-2.5 9386=100, 10974/3.2=54...(25) QD2 LEU 62 - HA VAL 63 far 0 100 0 - 5.4-5.7 Violated in 0 structures by 0.00 A. Peak 9399 from cnoeabs.peaks (1.78, 3.37, 66.55 ppm; 5.56 A): 2 out of 4 assignments used, quality = 1.00: HG LEU 100 + HA VAL 63 OK 100 100 100 100 3.9-5.2 2.1/9386=100...(22) HB3 LEU 103 + HA VAL 63 OK 92 92 100 100 4.1-4.7 3.1/11832=91...(26) HB3 LEU 122 - HA VAL 63 far 0 90 0 - 6.2-7.0 HB2 LEU 48 - HA VAL 63 far 0 100 0 - 9.4-10.1 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 2 assignments used, quality = 1.00: HG2 GLN 104 + QG1 VAL 63 OK 100 100 100 100 1.8-3.8 11522=100, 1.8/9401=86...(22) HG2 GLU 102 - QG1 VAL 63 far 0 78 0 - 6.9-9.3 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 1 assignment used, quality = 0.96: HG3 GLN 104 + QG1 VAL 63 OK 96 96 100 100 2.2-3.9 1.8/11522=97, 11443=93...(20) Violated in 0 structures by 0.00 A. Peak 9405 from cnoeabs.peaks (7.42, 0.78, 21.57 ppm; 4.54 A): 1 out of 3 assignments used, quality = 1.00: HE22 GLN 104 + QG1 VAL 63 OK 100 100 100 100 1.8-3.7 10078=99, 1.7/10074=91...(18) H LEU 62 - QG1 VAL 63 far 0 97 0 - 5.8-6.0 H GLN 61 - QG1 VAL 63 far 0 100 0 - 6.2-6.5 Violated in 0 structures by 0.00 A. Peak 9406 from cnoeabs.peaks (7.14, 0.78, 21.57 ppm; 3.95 A increased from 3.72 A): 1 out of 1 assignment used, quality = 0.97: HD2 HIS 67 + QG1 VAL 63 OK 97 98 100 99 3.6-3.9 9470=83, 11485/10974=48...(9) Violated in 0 structures by 0.00 A. Peak 9407 from cnoeabs.peaks (7.43, 0.91, 22.96 ppm; 4.59 A): 3 out of 7 assignments used, quality = 1.00: HE22 GLN 104 + QG2 VAL 63 OK 100 100 100 100 1.8-3.9 10077=100, 10078/2.1=92...(21) H LEU 62 + QG2 VAL 63 OK 98 99 100 99 3.7-4.2 6797/6814=65...(15) H GLN 61 + QG2 VAL 63 OK 94 99 100 95 4.4-4.9 2.8/9379=43...(14) H LEU 62 - QD1 LEU 49 far 0 56 0 - 7.6-8.1 QE PHE 89 - QD1 LEU 49 far 0 33 0 - 7.9-8.4 HE22 GLN 104 - QD1 LEU 49 far 0 58 0 - 8.4-11.0 H GLN 61 - QD1 LEU 49 far 0 57 0 - 9.5-10.2 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 0 assignments used, quality = 0.00: Peak 9411 from cnoeabs.peaks (0.78, 4.46, 57.70 ppm; 4.46 A): 1 out of 8 assignments used, quality = 1.00: QG1 VAL 63 + HA ASP 64 OK 100 100 100 100 3.0-3.7 10980=100, 6825/2.9=74...(23) QD2 LEU 49 - HA ASP 64 far 0 96 0 - 6.6-6.9 QD1 LEU 122 - HA ASP 64 far 0 78 0 - 6.8-9.4 QD2 LEU 122 - HA ASP 64 far 0 100 0 - 7.8-9.5 QD1 LEU 96 - HA ASP 64 far 0 95 0 - 7.8-8.2 QD1 LEU 103 - HA ASP 64 far 0 100 0 - 8.6-9.3 QD1 LEU 53 - HA ASP 64 far 0 98 0 - 9.4-10.4 QD2 LEU 119 - HA ASP 64 far 0 90 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 9412 from cnoeabs.peaks (0.89, 4.46, 57.70 ppm; 5.64 A increased from 5.01 A): 1 out of 7 assignments used, quality = 0.83: QG2 VAL 63 + HA ASP 64 OK 83 83 100 100 5.3-5.3 2.1/10980=99...(19) QD1 LEU 49 - HA ASP 64 far 0 78 0 - 6.8-7.8 QD2 LEU 69 - HA ASP 64 far 0 81 0 - 7.6-8.0 QD2 LEU 48 - HA ASP 64 far 0 87 0 - 8.4-10.2 QD1 LEU 62 - HA ASP 64 far 0 76 0 - 8.9-9.0 QG1 VAL 118 - HA ASP 64 far 0 98 0 - 9.3-10.0 QG2 VAL 57 - HA ASP 64 far 0 63 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 9413 from cnoeabs.peaks (0.78, 2.75, 39.83 ppm; 5.35 A): 2 out of 13 assignments used, quality = 1.00: QG1 VAL 63 + HB2 ASP 64 OK 100 100 100 100 4.1-5.4 10980/3.0=88...(17) QD1 ILE 32 + HB3 ASP 35 OK 65 65 100 99 3.0-4.7 10846=95, 10807/961=29...(10) QD1 ILE 37 - HB3 ASP 35 far 0 66 0 - 6.3-7.0 QD2 LEU 49 - HB2 ASP 64 far 0 87 0 - 6.8-7.9 QD1 ILE 37 - HB3 ASP 78 far 0 84 0 - 7.2-9.4 QD1 LEU 122 - HB2 ASP 64 far 0 63 0 - 7.4-10.4 QD1 ILE 32 - HB3 ASP 78 far 0 83 0 - 8.1-12.3 QD2 LEU 122 - HB2 ASP 64 far 0 99 0 - 8.3-10.9 QG1 VAL 93 - HB3 ASP 78 far 0 44 0 - 8.3-9.3 QD1 LEU 53 - HB2 ASP 64 far 0 92 0 - 8.5-11.0 QD1 LEU 103 - HB2 ASP 64 far 0 100 0 - 8.7-9.9 QD1 LEU 96 - HB2 ASP 64 far 0 99 0 - 8.8-9.7 QD2 LEU 119 - HB2 ASP 64 far 0 78 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 9414 from cnoeabs.peaks (0.90, 2.75, 39.83 ppm; 6.80 A): 2 out of 13 assignments used, quality = 0.97: QG2 VAL 63 + HB2 ASP 64 OK 96 96 100 100 5.7-6.0 4.4/2048=96...(17) QD1 LEU 49 + HB2 ASP 64 OK 30 93 75 43 6.7-8.1 9415/4.6=35, 9418/9429=10 QG2 VAL 20 - HB3 ASP 78 poor 16 81 20 - 2.9-20.8 QG1 VAL 20 - HB3 ASP 78 poor 16 79 20 - 4.2-23.3 QD1 LEU 48 - HB2 ASP 64 lone 11 71 80 19 6.0-8.1 9415/4.6=9, 9418/9429=8 QD2 LEU 48 - HB2 ASP 64 lone 3 97 40 7 6.5-9.6 9418/9429=4 QD1 LEU 22 - HB3 ASP 35 far 0 65 0 - 7.6-16.5 QD2 LEU 69 - HB2 ASP 64 far 0 60 0 - 7.9-9.1 QD1 LEU 62 - HB2 ASP 64 far 0 92 0 - 8.1-9.2 QD1 LEU 22 - HB3 ASP 78 far 0 83 0 - 8.4-17.7 QG2 VAL 20 - HB3 ASP 35 far 0 63 0 - 8.7-18.2 QG1 VAL 20 - HB3 ASP 35 far 0 62 0 - 9.1-20.7 QG1 VAL 118 - HB2 ASP 64 far 0 100 0 - 9.9-10.9 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 7 assignments used, quality = 1.00: QD1 LEU 49 + HA THR 65 OK 99 99 100 100 3.5-4.4 10966/3.2=85...(30) QD1 LEU 48 + HA THR 65 OK 89 89 100 100 3.6-4.3 ~9441=51, ~9441=50...(27) QD2 LEU 48 + HA THR 65 OK 50 100 50 100 5.1-6.5 10906/2074=53, ~9441=51...(27) QG2 VAL 63 - HA THR 65 far 0 100 0 - 7.4-7.4 QD1 LEU 62 - HA THR 65 far 0 99 0 - 8.2-8.6 QG1 VAL 118 - HA THR 65 far 0 99 0 - 9.9-10.8 QD1 LEU 123 - HA THR 65 far 0 81 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 9419 from cnoeabs.peaks (0.80, 3.97, 66.53 ppm; 6.47 A): 4 out of 9 assignments used, quality = 1.00: QD2 LEU 49 + HA THR 65 OK 100 100 100 100 4.5-5.0 9431/2074=89, ~9421=85...(30) QG1 VAL 63 + HA THR 65 OK 93 93 100 100 6.3-6.6 10980/4.9=75, ~9427=71...(11) QD1 LEU 96 + HA THR 65 OK 48 71 100 68 6.6-7.0 11808/4.9=24...(7) QD1 LEU 122 + HA THR 65 OK 43 97 85 52 6.2-9.0 9434/3.6=23, 9422/3.0=20...(4) QD1 LEU 53 - HA THR 65 far 0 100 0 - 7.3-8.0 QD2 LEU 122 - HA THR 65 far 0 97 0 - 7.6-9.1 QD1 LEU 70 - HA THR 65 far 0 78 0 - 9.5-9.9 QD1 LEU 103 - HA THR 65 far 0 92 0 - 9.6-10.4 QD2 LEU 119 - HA THR 65 far 0 100 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 9421 from cnoeabs.peaks (0.90, 4.07, 67.84 ppm; 4.28 A): 2 out of 8 assignments used, quality = 0.98: QD1 LEU 49 + HB THR 65 OK 97 97 100 100 3.0-3.8 10966/2.1=84, ~9431=58...(24) QD1 LEU 48 + HB THR 65 OK 40 81 50 100 4.7-5.3 ~9441=49, ~9441=48...(26) QD2 LEU 48 - HB THR 65 far 0 99 0 - 5.0-6.5 QD1 LEU 62 - HB THR 65 far 0 97 0 - 5.8-6.2 QG2 VAL 63 - HB THR 65 far 0 99 0 - 6.2-6.3 QD1 LEU 123 - HB THR 65 far 0 71 0 - 7.9-8.8 QG1 VAL 118 - HB THR 65 far 0 100 0 - 8.1-9.1 QD2 LEU 123 - HB THR 65 far 0 87 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 9422 from cnoeabs.peaks (0.79, 4.07, 67.84 ppm; 5.55 A): 4 out of 9 assignments used, quality = 1.00: QD2 LEU 49 + HB THR 65 OK 99 99 100 100 2.6-3.2 2.1/9421=100...(29) QD1 LEU 96 + HB THR 65 OK 45 89 90 56 5.7-6.3 11061/11055=33...(7) QD1 LEU 122 + HB THR 65 OK 32 87 85 43 4.7-7.4 9434/6853=18...(6) QD1 LEU 53 + HB THR 65 OK 32 100 100 32 5.0-5.7 1552/9424=10...(5) QD2 LEU 122 - HB THR 65 far 5 100 5 - 5.7-7.6 QG1 VAL 63 - HB THR 65 far 5 99 5 - 6.2-6.4 QD2 LEU 119 - HB THR 65 far 0 96 0 - 7.6-8.1 QD1 LEU 103 - HB THR 65 far 0 99 0 - 7.7-8.5 QD1 LEU 70 - HB THR 65 far 0 57 0 - 9.9-10.5 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 = 0.84: HB3 ASP 64 + HA THR 65 OK 84 85 100 98 4.7-5.6 6840/2.9=84, ~2052=53...(7) Violated in 0 structures by 0.00 A. Peak 9430 from cnoeabs.peaks (0.91, 1.23, 22.77 ppm; 2.85 A): 3 out of 8 assignments used, quality = 1.00: QD1 LEU 49 + QG2 THR 65 OK 97 99 100 98 1.7-1.8 2.1/9431=46, 10966=39...(28) QD1 LEU 48 + QG2 THR 65 OK 80 87 100 92 1.9-2.6 10957=37, 2.1/9441=32...(17) QD2 LEU 48 + QG2 THR 65 OK 46 100 50 93 3.0-4.0 10957=45, 2.1/9441=32...(19) QD1 LEU 62 - QG2 THR 65 far 0 99 0 - 6.0-6.4 QD1 LEU 123 - QG2 THR 65 far 0 78 0 - 6.5-7.1 QG2 VAL 63 - QG2 THR 65 far 0 100 0 - 6.9-7.0 QD2 LEU 123 - QG2 THR 65 far 0 81 0 - 7.4-8.0 QG1 VAL 118 - QG2 THR 65 far 0 99 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 9431 from cnoeabs.peaks (0.78, 1.23, 22.77 ppm; 3.42 A): 1 out of 10 assignments used, quality = 0.90: QD2 LEU 49 + QG2 THR 65 OK 90 90 100 99 2.9-3.3 2.1/11025=55...(26) QD1 LEU 53 - QG2 THR 65 far 0 95 0 - 4.4-5.2 QD1 LEU 122 - QG2 THR 65 far 0 68 0 - 4.9-7.1 QD1 LEU 96 - QG2 THR 65 far 0 98 0 - 5.1-5.4 QD2 LEU 122 - QG2 THR 65 far 0 99 0 - 6.0-7.2 QG1 VAL 63 - QG2 THR 65 far 0 100 0 - 6.6-6.7 QD2 LEU 119 - QG2 THR 65 far 0 83 0 - 7.7-8.2 QD1 LEU 103 - QG2 THR 65 far 0 100 0 - 8.1-8.7 QD2 LEU 43 - QG2 THR 65 far 0 68 0 - 8.2-8.8 QD1 ILE 37 - QG2 THR 65 far 0 100 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 9432 from cnoeabs.peaks (0.67, 1.23, 22.77 ppm; 4.50 A): 1 out of 4 assignments used, quality = 0.95: QD2 LEU 62 + QG2 THR 65 OK 95 99 100 95 4.0-4.4 1998/10993=56...(10) QD2 LEU 100 - QG2 THR 65 far 0 98 0 - 5.1-5.6 QD1 ILE 129 - QG2 THR 65 far 0 60 0 - 7.5-8.1 QD1 LEU 43 - QG2 THR 65 far 0 63 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 9440 from cnoeabs.peaks (1.48, 1.23, 22.77 ppm; 3.89 A increased from 3.45 A): 2 out of 3 assignments used, quality = 0.98: QB ALA 52 + QG2 THR 65 OK 89 100 100 89 3.7-4.1 9232/9432=47...(12) HB2 LEU 49 + QG2 THR 65 OK 78 78 100 100 3.2-3.9 3.2/9431=64...(22) HG LEU 42 - QG2 THR 65 far 0 97 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 9441 from cnoeabs.peaks (1.70, 1.23, 22.77 ppm; 4.19 A increased from 3.95 A): 1 out of 4 assignments used, quality = 0.89: HG LEU 48 + QG2 THR 65 OK 89 89 100 100 3.7-4.2 3.0/10991=64, 11370=62...(17) HB2 LEU 69 - QG2 THR 65 far 0 63 0 - 5.6-5.9 HB3 LEU 70 - QG2 THR 65 far 0 87 0 - 7.8-8.0 HB2 LEU 70 - QG2 THR 65 far 0 92 0 - 9.2-9.4 Violated in 1 structures by 0.00 A. Peak 9442 from cnoeabs.peaks (1.92, 1.23, 22.77 ppm; 3.81 A): 2 out of 4 assignments used, quality = 1.00: HB3 LEU 49 + QG2 THR 65 OK 100 100 100 100 3.8-4.0 3.2/9431=61...(22) HB3 LEU 48 + QG2 THR 65 OK 76 76 100 100 2.0-2.5 1.8/10991=67...(23) HG LEU 53 - QG2 THR 65 far 0 85 0 - 4.8-8.0 HB3 LEU 123 - QG2 THR 65 far 0 51 0 - 7.0-8.2 Violated in 0 structures by 0.00 A. Peak 9443 from cnoeabs.peaks (2.18, 1.23, 22.77 ppm; 3.46 A): 0 out of 2 assignments used, quality = 0.00: HB3 LEU 69 - QG2 THR 65 far 0 83 0 - 4.1-4.6 HB3 GLN 68 - QG2 THR 65 far 0 99 0 - 5.0-5.4 Violated in 20 structures by 0.67 A. Peak 9445 from cnoeabs.peaks (8.31, 1.23, 22.77 ppm; 4.07 A): 2 out of 6 assignments used, quality = 1.00: H LEU 49 + QG2 THR 65 OK 98 98 100 100 2.1-2.3 11703=86, 6598/10991=44...(25) H LEU 69 + QG2 THR 65 OK 91 95 100 96 4.1-4.3 4.9/11044=34...(15) H VAL 126 - QG2 THR 65 far 0 81 0 - 7.4-7.9 H TYR 72 - QG2 THR 65 far 0 97 0 - 7.9-8.3 H GLU 44 - QG2 THR 65 far 0 81 0 - 8.1-8.6 H LEU 43 - QG2 THR 65 far 0 73 0 - 9.1-9.6 Violated in 0 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 = 1.00: H ALA 52 + QG2 THR 65 OK 97 100 100 97 4.6-5.2 9228/9432=51...(12) H LEU 48 + QG2 THR 65 OK 89 89 100 100 3.9-4.2 9199=71, 3.9/10991=66...(15) H SER 130 - QG2 THR 65 far 0 99 0 - 8.9-9.3 H CYS 125 - QG2 THR 65 far 0 92 0 - 9.1-9.7 H ILE 129 - QG2 THR 65 far 0 68 0 - 9.4-10.1 H VAL 57 - QG2 THR 65 far 0 78 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 9448 from cnoeabs.peaks (0.80, 3.63, 47.55 ppm; 4.48 A): 6 out of 18 assignments used, quality = 1.00: QD2 LEU 49 + HA3 GLY 66 OK 99 99 100 100 2.2-2.6 9208=50, ~9433=46...(24) QD2 LEU 49 + HA2 GLY 66 OK 97 98 100 100 1.7-1.8 9208=50, ~9433=46...(25) QG1 VAL 63 + HA3 GLY 66 OK 79 83 100 96 4.5-4.7 9460/3.6=32...(17) QD1 LEU 122 + HA3 GLY 66 OK 65 100 100 65 1.9-4.6 9487/10035=30...(12) QD1 LEU 122 + HA2 GLY 66 OK 54 98 95 58 2.6-5.1 9487/10035=30...(8) QD2 LEU 122 + HA3 GLY 66 OK 29 90 100 32 3.6-4.7 ~9434=11, 11492/10035=9...(6) QD2 LEU 122 - HA2 GLY 66 poor 11 87 50 25 4.4-5.6 ~9434=11, 11492/10035=9...(4) QD1 LEU 53 - HA2 GLY 66 far 0 96 0 - 5.1-6.7 QD1 LEU 53 - HA3 GLY 66 far 0 98 0 - 5.4-6.8 QG1 VAL 63 - HA2 GLY 66 far 0 80 0 - 5.9-6.1 QD1 LEU 70 - HA3 GLY 66 far 0 90 0 - 6.7-7.1 QD1 LEU 70 - HA2 GLY 66 far 0 87 0 - 6.8-7.2 QD1 LEU 103 - HA3 GLY 66 far 0 81 0 - 7.0-7.5 QG2 ILE 129 - HA2 GLY 66 far 0 82 0 - 7.7-8.4 QD2 LEU 119 - HA3 GLY 66 far 0 100 0 - 7.7-8.7 QD1 LEU 103 - HA2 GLY 66 far 0 78 0 - 8.2-8.7 QD2 LEU 119 - HA2 GLY 66 far 0 99 0 - 8.6-9.5 QG2 ILE 129 - HA3 GLY 66 far 0 85 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 9449 from cnoeabs.peaks (0.67, 3.63, 47.55 ppm; 4.79 A): 2 out of 6 assignments used, quality = 1.00: QD2 LEU 100 + HA3 GLY 66 OK 97 97 100 100 1.8-2.1 9384/2.9=78...(25) QD2 LEU 100 + HA2 GLY 66 OK 94 94 100 100 3.3-3.6 9384/2.9=78...(21) QD2 LEU 62 - HA3 GLY 66 far 0 99 0 - 5.8-6.1 QD2 LEU 62 - HA2 GLY 66 far 0 97 0 - 6.0-6.3 QD1 ILE 129 - HA2 GLY 66 far 0 63 0 - 6.4-7.2 QD1 ILE 129 - HA3 GLY 66 far 0 65 0 - 7.3-8.1 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 1 assignment used, quality = 1.00: H HIS 67 + HD2 HIS 67 OK 100 100 100 100 3.4-3.8 6870=100, 2.9/2096=99...(8) Violated in 0 structures by 0.00 A. Peak 9462 from cnoeabs.peaks (0.82, 4.22, 58.98 ppm; 5.14 A increased from 4.11 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 70 + HA HIS 67 OK 100 100 100 100 4.6-5.0 2.1/11089=97...(13) QD1 LEU 122 + HA HIS 67 OK 55 90 70 86 5.1-7.1 9487/10037=79...(5) QD2 LEU 49 - HA HIS 67 far 10 68 15 - 5.7-5.8 QD1 LEU 53 - HA HIS 67 far 0 60 0 - 9.0-10.4 QG2 ILE 129 - HA HIS 67 far 0 100 0 - 9.1-10.1 Violated in 0 structures by 0.00 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 2.1-2.6 10037=91, 11107/11089=78...(19) QD1 ILE 129 - HA HIS 67 far 0 68 0 - 8.0-9.0 QD1 LEU 42 - HA HIS 67 far 0 85 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 9465 from cnoeabs.peaks (0.79, 3.34, 27.78 ppm; 5.52 A): 1 out of 9 assignments used, quality = 0.98: QG1 VAL 63 + HB2 HIS 67 OK 98 99 100 100 3.5-5.2 9468/1.8=89, 9406/4.0=80...(11) QD2 LEU 49 - HB2 HIS 67 far 0 99 0 - 6.1-7.2 QD1 LEU 122 - HB2 HIS 67 far 0 90 0 - 6.2-8.9 QD1 LEU 96 - HB2 HIS 67 far 0 85 0 - 6.3-6.9 QD1 LEU 70 - HB2 HIS 67 far 0 63 0 - 6.5-7.4 QD2 LEU 122 - HB2 HIS 67 far 0 100 0 - 7.5-9.0 QD1 ILE 37 - HB2 HIS 67 far 0 96 0 - 9.0-11.3 QD1 LEU 103 - HB2 HIS 67 far 0 98 0 - 9.1-10.9 QD1 LEU 53 - HB2 HIS 67 far 0 100 0 - 9.5-11.5 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 1 assignment used, quality = 0.00: QD1 LEU 42 - HB2 HIS 67 far 0 100 0 - 9.3-10.5 Violated in 20 structures by 3.24 A. Peak 9468 from cnoeabs.peaks (0.78, 3.41, 27.78 ppm; 6.20 A): 2 out of 8 assignments used, quality = 1.00: QG1 VAL 63 + HB3 HIS 67 OK 100 100 100 100 3.7-4.9 9465/1.8=96, 9406/4.0=92...(7) QD2 LEU 49 + HB3 HIS 67 OK 33 93 60 60 6.2-7.2 9460/3.8=44...(3) QD1 LEU 96 - HB3 HIS 67 lone 15 97 80 19 6.3-7.0 9470/4.0=8, 11708/1.8=5 QD1 LEU 122 - HB3 HIS 67 poor 6 73 40 22 6.0-8.3 9470/4.0=17, 9462/3.0=3 QD2 LEU 122 - HB3 HIS 67 far 0 100 0 - 7.4-8.9 QD1 LEU 103 - HB3 HIS 67 far 0 100 0 - 9.2-10.8 QD1 LEU 53 - HB3 HIS 67 far 0 97 0 - 9.4-11.1 QD1 ILE 37 - HB3 HIS 67 far 0 100 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 9470 from cnoeabs.peaks (0.80, 7.15, 118.65 ppm; 3.89 A): 1 out of 8 assignments used, quality = 0.89: QG1 VAL 63 + HD2 HIS 67 OK 89 90 100 98 3.6-3.9 9406=79, 10974/11485=40...(9) QD1 LEU 70 - HD2 HIS 67 far 0 83 0 - 4.8-5.4 QD1 LEU 122 - HD2 HIS 67 far 0 99 0 - 4.9-7.0 QD1 LEU 96 - HD2 HIS 67 far 0 65 0 - 4.9-5.2 QD2 LEU 122 - HD2 HIS 67 far 0 96 0 - 5.5-6.6 QD2 LEU 49 - HD2 HIS 67 far 0 100 0 - 6.1-6.5 QD1 LEU 103 - HD2 HIS 67 far 0 89 0 - 8.4-8.7 QD1 LEU 53 - HD2 HIS 67 far 0 100 0 - 9.2-10.5 Violated in 1 structures by 0.00 A. Peak 9471 from cnoeabs.peaks (1.72, 7.15, 118.65 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: HB3 LEU 70 + HD2 HIS 67 OK 99 99 100 100 3.9-4.7 3.2/11081=98...(11) HB2 LEU 70 + HD2 HIS 67 OK 97 97 100 100 5.0-5.9 3.2/11081=98...(9) HG LEU 98 - HD2 HIS 67 far 0 95 0 - 9.8-11.6 Violated in 0 structures by 0.00 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 1.9-2.3 10044=99, 2.1/11485=83...(13) Violated in 0 structures by 0.00 A. Peak 9478 from cnoeabs.peaks (0.80, 2.23, 33.86 ppm; 5.53 A): 2 out of 9 assignments used, quality = 0.96: QD2 LEU 49 + HG2 GLN 68 OK 95 100 100 95 4.8-6.0 9431/9479=60...(11) QD1 LEU 96 + HG2 GLN 68 OK 24 63 95 41 5.5-6.9 11056/2158=27...(5) QD1 LEU 122 - HG2 GLN 68 far 0 99 0 - 6.5-8.7 QD1 ILE 37 - HG2 GLN 68 far 0 81 0 - 6.8-9.0 QG1 VAL 63 - HG2 GLN 68 far 0 89 0 - 7.2-9.2 QD1 LEU 53 - HG2 GLN 68 far 0 99 0 - 7.9-9.6 QD1 LEU 70 - HG2 GLN 68 far 0 85 0 - 7.9-8.6 QG2 ILE 129 - HG2 GLN 68 far 0 78 0 - 7.9-9.0 QD2 LEU 122 - HG2 GLN 68 far 0 95 0 - 8.2-10.1 Violated in 1 structures by 0.01 A. Peak 9479 from cnoeabs.peaks (1.22, 2.23, 33.86 ppm; 4.95 A): 1 out of 1 assignment used, quality = 0.98: QG2 THR 65 + HG2 GLN 68 OK 98 98 100 100 3.1-4.3 11016/1.8=88, ~11023=47...(26) Violated in 0 structures by 0.00 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 3.5-4.6 2.2/11830=91...(22) HD2 HIS 67 - HG2 GLN 68 far 0 90 0 - 7.2-9.1 Violated in 0 structures by 0.00 A. Peak 9482 from cnoeabs.peaks (7.15, 2.32, 33.86 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: QD TYR 72 + HG3 GLN 68 OK 100 100 100 100 2.1-4.8 9481/1.8=77, ~11830=61...(18) HD2 HIS 67 - HG3 GLN 68 far 0 100 0 - 7.6-9.0 Violated in 1 structures by 0.01 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 4.2-4.4 9485/2269=93...(16) QD1 ILE 80 - HA LEU 70 far 0 76 0 - 8.7-9.2 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 = 0.98: QG2 VAL 93 + QD2 LEU 70 OK 98 98 100 100 3.6-4.1 11822=61, 3.2/9495=56...(25) QD1 ILE 80 - QD2 LEU 70 far 0 97 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 9486 from cnoeabs.peaks (2.42, 0.86, 25.01 ppm; 3.89 A increased from 3.45 A): 1 out of 3 assignments used, quality = 1.00: HG3 GLU 97 + QD2 LEU 70 OK 100 100 100 100 3.4-3.8 9489/2.1=73...(25) HG2 GLN 101 - QD2 LEU 70 far 0 99 0 - 5.7-9.5 HG3 GLU 128 - QD2 LEU 70 far 0 100 0 - 8.1-10.2 Violated in 0 structures by 0.00 A. Peak 9487 from cnoeabs.peaks (0.61, 0.82, 25.52 ppm; 3.16 A): 1 out of 4 assignments used, quality = 0.55: QD1 LEU 100 + QD1 LEU 122 OK 55 59 100 92 1.9-3.6 11388/2.1=22, ~3887=13...(34) QD1 LEU 100 - QD1 LEU 70 far 5 99 5 - 3.3-4.2 QD1 LEU 42 - QD1 LEU 70 far 0 71 0 - 6.3-7.0 QD1 LEU 42 - QD1 LEU 122 far 0 36 0 - 8.0-9.8 Violated in 3 structures by 0.04 A. Peak 9488 from cnoeabs.peaks (1.40, 0.82, 25.52 ppm; 4.07 A increased from 3.43 A): 4 out of 17 assignments used, quality = 1.00: HG LEU 96 + QD1 LEU 70 OK 100 100 100 100 3.7-4.0 11106/2.1=87...(23) HB3 LEU 100 + QD1 LEU 122 OK 42 44 95 99 3.9-5.9 3.2/9487=73...(34) HG LEU 96 + QD1 LEU 122 OK 39 61 70 92 2.8-5.5 11918/9487=46...(27) HB2 LEU 96 + QD1 LEU 122 OK 33 46 75 96 2.1-5.0 ~3901=17, ~3901=17...(45) QB ALA 16 - QD1 LEU 70 far 5 100 5 - 4.6-28.7 QB ALA 15 - QD1 LEU 70 far 4 89 5 - 2.0-26.0 HB3 LEU 100 - QD1 LEU 70 far 0 83 0 - 5.4-6.4 HB2 LEU 96 - QD1 LEU 70 far 0 85 0 - 6.0-6.3 HG2 LYS 95 - QD1 LEU 122 far 0 55 0 - 6.6-9.8 HG3 LYS 95 - QD1 LEU 122 far 0 52 0 - 6.7-10.1 HG3 LYS 95 - QD1 LEU 70 far 0 93 0 - 7.4-9.3 HG2 LYS 95 - QD1 LEU 70 far 0 96 0 - 7.6-9.7 HG2 LYS 24 - QD1 LEU 70 far 0 83 0 - 7.8-23.1 QB ALA 109 - QD1 LEU 122 far 0 56 0 - 8.2-10.7 QB ALA 15 - QD1 LEU 122 far 0 49 0 - 8.3-31.7 QB ALA 34 - QD1 LEU 70 far 0 85 0 - 8.6-10.5 QB ALA 108 - QD1 LEU 122 far 0 51 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 9489 from cnoeabs.peaks (2.42, 0.82, 25.52 ppm; 3.68 A): 1 out of 8 assignments used, quality = 1.00: HG3 GLU 97 + QD1 LEU 70 OK 100 100 100 100 3.2-3.7 9486/2.1=64...(25) HG3 GLU 97 - QD1 LEU 122 far 0 61 0 - 5.4-8.2 HG2 GLN 101 - QD1 LEU 70 far 0 100 0 - 5.5-9.1 HG2 GLN 101 - QD1 LEU 122 far 0 61 0 - 6.0-10.3 HG3 GLN 61 - QD1 LEU 122 far 0 56 0 - 7.0-11.0 HG3 GLU 128 - QD1 LEU 122 far 0 61 0 - 8.6-11.5 HG3 GLU 128 - QD1 LEU 70 far 0 100 0 - 9.4-12.0 HG3 GLU 55 - QD1 LEU 122 far 0 32 0 - 9.9-13.5 Violated in 2 structures by 0.00 A. Peak 9490 from cnoeabs.peaks (2.76, 0.82, 25.52 ppm; 4.47 A): 1 out of 8 assignments used, quality = 0.93: HB2 CYS 73 + QD1 LEU 70 OK 93 93 100 100 3.2-4.1 11094/2.1=79...(13) HB2 CYS 125 - QD1 LEU 122 poor 12 35 35 - 3.3-6.4 HB2 CYS 73 - QD1 LEU 122 far 0 52 0 - 7.2-9.5 HB2 CYS 125 - QD1 LEU 70 far 0 68 0 - 7.3-8.7 HB2 ASP 64 - QD1 LEU 122 far 0 56 0 - 7.4-10.4 HB2 TYR 76 - QD1 LEU 70 far 0 100 0 - 8.1-9.1 HB3 ASN 13 - QD1 LEU 70 far 0 98 0 - 8.7-28.5 HB3 ASP 78 - QD1 LEU 70 far 0 73 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 9494 from cnoeabs.peaks (3.33, 2.16, 40.48 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.99: HB3 CYS 73 + HB3 LEU 69 OK 96 98 100 98 6.8-7.3 11073/3.2=48...(14) HB2 HIS 67 + HB3 LEU 69 OK 50 96 100 53 6.4-6.8 4.0/11030=30...(5) HB3 TYR 72 + HB3 LEU 69 OK 49 97 50 100 6.0-7.6 2178/3.0=95...(26) 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 = 0.62: HA VAL 93 + QD2 LEU 70 OK 62 63 100 98 3.9-4.3 3.2/9485=65...(17) Violated in 2 structures by 0.00 A. Peak 9496 from cnoeabs.peaks (2.23, 0.86, 25.01 ppm; 3.52 A increased from 3.32 A): 2 out of 8 assignments used, quality = 1.00: HB3 LEU 96 + QD2 LEU 70 OK 98 100 100 98 3.6-4.1 3.0/11106=58...(20) HB3 GLU 97 + QD2 LEU 70 OK 87 87 100 100 2.3-3.5 1.8/11109=65...(32) HG2 GLN 68 - QD2 LEU 70 far 0 100 0 - 5.9-7.0 HB2 GLN 68 - QD2 LEU 70 far 0 92 0 - 6.8-7.3 HB2 GLN 101 - QD2 LEU 70 far 0 63 0 - 7.3-8.7 HB3 GLU 102 - QD2 LEU 70 far 0 100 0 - 8.6-11.1 HB3 GLN 104 - QD2 LEU 70 far 0 96 0 - 8.9-9.7 HB3 GLN 127 - QD2 LEU 70 far 0 99 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 9497 from cnoeabs.peaks (3.33, 0.82, 25.52 ppm; 5.49 A): 1 out of 7 assignments used, quality = 1.00: HB3 CYS 73 + QD1 LEU 70 OK 100 100 100 100 4.0-5.0 1.8/9490=98...(14) HB2 HIS 67 - QD1 LEU 122 far 0 50 0 - 6.2-8.9 HB2 HIS 67 - QD1 LEU 70 far 0 90 0 - 6.5-7.4 HB3 TYR 72 - QD1 LEU 70 far 0 93 0 - 7.3-8.7 HB3 CYS 73 - QD1 LEU 122 far 0 60 0 - 7.5-10.3 HB3 PHE 89 - QD1 LEU 70 far 0 99 0 - 8.9-10.1 HB3 TYR 72 - QD1 LEU 122 far 0 52 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 9498 from cnoeabs.peaks (3.22, 0.82, 25.52 ppm; 5.80 A increased from 5.15 A): 1 out of 3 assignments used, quality = 0.51: HB3 CYS 125 + QD1 LEU 122 OK 51 51 100 100 3.7-6.0 ~11828=76, ~11653=49...(17) HB3 CYS 125 - QD1 LEU 70 far 0 92 0 - 7.1-8.4 HB2 HIS 5 - QD1 LEU 122 far 0 55 0 - 8.9-47.3 Violated in 1 structures by 0.01 A. Peak 9504 from cnoeabs.peaks (8.34, 7.15, 131.84 ppm; 6.72 A): 2 out of 3 assignments used, quality = 1.00: H GLU 44 + QD TYR 72 OK 98 99 100 98 6.3-7.3 9130/9062=78, ~9142=67...(5) H TYR 72 + QD TYR 72 OK 89 89 100 100 2.8-3.4 4.5=100 H GLY 14 - QD TYR 72 far 0 65 0 - 9.5-33.9 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 4.6-4.9 3.0/11117=73, ~6965=64...(21) HB2 LEU 70 + HA ASP 71 OK 99 99 100 100 3.8-3.9 3.0/11117=73, ~6965=64...(21) HB2 LYS 24 - HA ASP 71 far 0 63 0 - 8.5-23.4 HG3 ARG 90 - HA ASP 71 far 0 95 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 9511 from cnoeabs.peaks (0.81, 2.81, 39.26 ppm; 6.80 A): 1 out of 5 assignments used, quality = 0.99: QD1 LEU 70 + HB3 ASP 71 OK 99 99 100 100 6.0-6.5 2267/6968=93...(10) QG2 ILE 129 - HB3 ASP 71 far 0 97 0 - 8.7-9.7 QD2 LEU 49 - HB3 ASP 71 far 0 93 0 - 8.7-9.4 QG1 VAL 63 - HB3 ASP 71 far 0 63 0 - 8.9-10.2 QD1 LEU 122 - HB3 ASP 71 far 0 100 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 9513 from cnoeabs.peaks (1.49, 3.34, 37.59 ppm; 6.55 A): 1 out of 4 assignments used, quality = 0.99: HG LEU 42 + HB3 TYR 72 OK 99 99 100 100 3.1-3.7 2.1/9095=100...(25) HG LEU 69 - HB3 TYR 72 poor 17 83 20 - 6.1-7.7 HG3 LYS 36 - HB3 TYR 72 far 0 63 0 - 8.3-10.4 HB2 LEU 49 - HB3 TYR 72 far 0 100 0 - 10.0-12.2 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 3.1-4.5 11064/2.7=96...(22) Violated in 0 structures by 0.00 A. Peak 9515 from cnoeabs.peaks (0.63, 3.34, 37.59 ppm; 5.57 A): 1 out of 3 assignments used, quality = 0.98: QD1 LEU 42 + HB3 TYR 72 OK 98 98 100 100 1.8-1.9 2.1/9095=96...(29) QD1 ILE 129 - HB3 TYR 72 far 0 90 0 - 7.1-8.3 QD1 LEU 100 - HB3 TYR 72 far 0 76 0 - 8.3-9.9 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 = 0.99: HG LEU 69 + HB2 TYR 72 OK 91 96 95 100 5.7-7.8 ~11064=74, ~11080=74...(19) HG LEU 42 + HB2 TYR 72 OK 90 90 100 100 3.1-3.9 2.1/10874=97...(25) HB2 LEU 49 - HB2 TYR 72 far 0 100 0 - 9.4-11.5 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 4 assignments used, quality = 0.85: QG2 ILE 37 + HB2 TYR 72 OK 85 85 100 100 2.0-4.1 10825/1.8=77...(30) QD1 LEU 49 - HB2 TYR 72 far 10 100 10 - 6.3-8.1 QD1 LEU 48 - HB2 TYR 72 far 0 99 0 - 7.6-9.4 QD2 LEU 48 - HB2 TYR 72 far 0 99 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 9518 from cnoeabs.peaks (0.79, 3.02, 37.59 ppm; 6.65 A): 2 out of 6 assignments used, quality = 0.97: QD1 ILE 37 + HB2 TYR 72 OK 96 96 100 100 3.8-5.1 10839/2.7=93...(23) QD1 LEU 70 + HB2 TYR 72 OK 35 63 85 65 7.0-8.4 9523/3.8=56, 11057/2177=18 QD1 LEU 96 - HB2 TYR 72 poor 17 85 20 - 6.8-9.2 QD2 LEU 49 - HB2 TYR 72 far 0 99 0 - 7.7-10.0 QD1 LEU 122 - HB2 TYR 72 far 0 90 0 - 9.0-11.5 QD2 LEU 122 - HB2 TYR 72 far 0 100 0 - 9.9-12.3 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 2.2-2.8 10874=99, 9091/1.8=98...(25) QD1 ILE 129 - HB2 TYR 72 far 0 99 0 - 6.6-8.2 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 4.2-4.8 9570/10874=85...(8) HA SER 33 - HB2 TYR 72 far 0 71 0 - 9.3-11.3 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 1 assignment used, quality = 0.87: HA LEU 69 + HB3 TYR 72 OK 87 87 100 100 3.2-4.8 6973/3.8=86, 3.9/9514=83...(20) 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 3 assignments used, quality = 1.00: HA LEU 69 + QD TYR 72 OK 99 99 100 100 2.1-3.6 6973/6983=98...(24) HA TYR 76 + QD TYR 72 OK 70 71 100 99 5.7-6.7 10833/9022=84...(9) HA2 GLY 75 + QD TYR 72 OK 70 85 100 82 6.6-7.2 9604/10839=64...(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 4.6-5.3 9142=91, 3.5/9547=82...(17) Violated in 0 structures by 0.00 A. Peak 9533 from cnoeabs.peaks (7.99, 6.81, 118.26 ppm; 6.23 A): 2 out of 3 assignments used, quality = 1.00: H SER 38 + QE TYR 72 OK 99 99 100 100 5.3-5.9 6423/9021=93...(8) H ILE 37 + QE TYR 72 OK 81 81 100 100 5.5-6.0 2.9/9367=92, 4.0/9021=91...(10) H LYS 36 - QE TYR 72 far 0 99 0 - 6.9-7.7 Violated in 0 structures by 0.00 A. Peak 9534 from cnoeabs.peaks (8.31, 6.81, 118.26 ppm; 5.46 A): 2 out of 5 assignments used, quality = 1.00: H TYR 72 + QE TYR 72 OK 99 99 100 100 4.2-4.9 6984=99, 6983/2.2=97...(13) H LEU 69 + QE TYR 72 OK 90 90 100 100 4.3-6.0 4.4/9550=69, 2.9/9540=63...(17) H GLU 44 - QE TYR 72 far 0 87 0 - 6.7-7.5 H LEU 43 - QE TYR 72 far 0 65 0 - 6.8-7.7 H LEU 49 - QE TYR 72 far 0 96 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 9536 from cnoeabs.peaks (8.34, 4.38, 64.37 ppm; 5.35 A increased from 5.04 A): 1 out of 1 assignment used, quality = 0.85: H TYR 72 + HA CYS 73 OK 85 87 100 98 4.9-5.2 7005/3.6=52...(9) Violated in 0 structures by 0.00 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 1.7-2.9 2.2/11145=68...(14) 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 3.8-4.2 3.1/11789=89...(9) H ALA 92 - HA CYS 73 far 0 89 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 9540 from cnoeabs.peaks (4.34, 6.81, 118.26 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.98: HA LEU 69 + QE TYR 72 OK 98 98 100 100 3.9-5.2 11028/2.2=97...(16) HA TYR 76 - QE TYR 72 far 0 63 0 - 7.8-8.5 HA2 GLY 75 - QE TYR 72 far 0 78 0 - 8.3-9.0 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 4.3-4.7 5.2=100 HA SER 38 - QE TYR 72 far 0 85 0 - 8.0-8.4 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 2 assignments used, quality = 0.93: HB3 CYS 45 + QE TYR 72 OK 93 93 100 100 2.9-4.0 1.8/9144=64, 9146=63...(14) HB3 TYR 76 - QE TYR 72 far 0 95 0 - 6.5-8.0 Violated in 0 structures by 0.00 A. Peak 9548 from cnoeabs.peaks (2.94, 6.81, 118.26 ppm; 4.58 A): 2 out of 7 assignments used, quality = 1.00: HB2 CYS 45 + QE TYR 72 OK 100 100 100 100 3.2-4.1 1.8/9547=84, 9144=83...(17) HE2 LYS 36 + QE TYR 72 OK 28 89 80 40 3.9-6.2 4.0/11126=24, ~11125=12 HE3 LYS 36 - QE TYR 72 poor 17 81 55 38 4.5-6.4 4.0/11126=24, ~11125=12 HG CYS 73 - QE TYR 72 far 0 100 0 - 6.3-7.7 HE2 LYS 31 - QE TYR 72 far 0 73 0 - 8.7-15.4 HE3 LYS 31 - QE TYR 72 far 0 65 0 - 8.9-15.0 HE2 LYS 26 - QE TYR 72 far 0 65 0 - 9.4-14.8 Violated in 0 structures by 0.00 A. Peak 9549 from cnoeabs.peaks (2.30, 6.81, 118.26 ppm; 5.08 A): 1 out of 2 assignments used, quality = 0.78: HG3 GLN 68 + QE TYR 72 OK 78 78 100 100 2.0-5.0 1.8/11830=96...(13) HG2 GLU 40 - QE TYR 72 far 0 95 0 - 8.7-11.1 Violated in 0 structures by 0.00 A. Peak 9550 from cnoeabs.peaks (2.19, 6.81, 118.26 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.98: HB3 GLN 68 + QE TYR 72 OK 98 98 100 100 2.3-3.6 3.0/11830=64...(20) HB3 LEU 69 - QE TYR 72 far 0 78 0 - 5.7-7.3 Violated in 0 structures by 0.00 A. Peak 9551 from cnoeabs.peaks (1.17, 6.81, 118.26 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 41 + QE TYR 72 OK 100 100 100 100 3.7-4.0 9063=99, 9062/2.2=69...(14) QG2 THR 25 - QE TYR 72 far 0 90 0 - 9.6-16.9 Violated in 0 structures by 0.00 A. Peak 9552 from cnoeabs.peaks (0.95, 6.81, 118.26 ppm; 5.08 A): 1 out of 4 assignments used, quality = 0.90: QG2 ILE 37 + QE TYR 72 OK 90 90 100 100 3.2-4.1 9021=85, 9022/2.2=83...(26) QD1 LEU 48 - QE TYR 72 poor 14 63 80 28 4.9-5.9 10888/9146=11...(3) QG1 VAL 126 - QE TYR 72 far 0 100 0 - 7.5-8.2 QG2 VAL 126 - QE TYR 72 far 0 96 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 9553 from cnoeabs.peaks (0.79, 6.81, 118.26 ppm; 5.19 A): 1 out of 7 assignments used, quality = 0.90: QD1 ILE 37 + QE TYR 72 OK 90 90 100 100 2.4-3.7 3.0/9021=86, 10840=85...(20) QD2 LEU 49 - QE TYR 72 far 0 100 0 - 7.8-8.4 QD1 LEU 96 - QE TYR 72 far 0 76 0 - 7.8-8.9 QG2 ILE 129 - QE TYR 72 far 0 65 0 - 8.1-9.2 QD1 LEU 70 - QE TYR 72 far 0 73 0 - 8.2-9.0 QD1 LEU 122 - QE TYR 72 far 0 96 0 - 9.3-11.3 QG1 VAL 63 - QE TYR 72 far 0 96 0 - 9.8-10.7 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 2.6-3.1 3.4=100 HB2 CYS 45 - HB2 CYS 73 far 0 99 0 - 8.0-9.1 HE3 LYS 19 - HB2 CYS 73 far 0 57 0 - 8.7-39.8 HE2 LYS 19 - HB2 CYS 73 far 0 73 0 - 8.9-39.2 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 5 assignments used, quality = 1.00: HG CYS 73 + HA CYS 73 OK 100 100 100 100 2.8-3.9 4.6=100 HB2 CYS 45 - HA CYS 73 far 0 100 0 - 7.7-8.7 HE3 LYS 86 - HA CYS 73 far 0 83 0 - 9.0-10.4 HE3 LYS 19 - HA CYS 73 far 0 71 0 - 9.3-38.9 HE2 LYS 19 - HA CYS 73 far 0 85 0 - 10.0-38.4 Violated in 0 structures by 0.00 A. Peak 9569 from cnoeabs.peaks (0.77, 4.38, 64.37 ppm; 6.21 A): 3 out of 8 assignments used, quality = 0.98: QG1 VAL 93 + HA CYS 73 OK 81 81 100 100 3.9-4.6 9575/3.6=89, ~9959=82...(22) QD2 LEU 96 + HA CYS 73 OK 76 78 100 97 4.9-5.8 11693/4.6=50...(12) QD1 ILE 37 + HA CYS 73 OK 51 99 55 95 6.1-7.1 10841/11146=66...(4) QD1 LEU 96 - HA CYS 73 far 5 100 5 - 6.4-8.1 QD2 LEU 43 - HA CYS 73 far 5 90 5 - 6.7-8.1 HG12 ILE 129 - HA CYS 73 far 4 81 5 - 6.8-8.2 QD2 LEU 49 - HA CYS 73 far 0 68 0 - 9.1-9.8 QD2 LEU 122 - HA CYS 73 far 0 90 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 9570 from cnoeabs.peaks (0.62, 4.38, 64.37 ppm; 4.10 A): 1 out of 3 assignments used, quality = 0.88: QD1 LEU 42 + HA CYS 73 OK 88 89 100 100 2.1-2.4 9565/2.9=45...(22) QD1 ILE 129 - HA CYS 73 far 4 73 5 - 4.6-5.8 QD1 LEU 100 - HA CYS 73 far 0 92 0 - 8.1-9.1 Violated in 0 structures by 0.00 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 2.9-3.7 9959/3.0=90, 9955=77...(28) QD1 ILE 80 + HA CYS 73 OK 89 92 100 97 4.6-5.3 9748/9538=51...(12) Violated in 0 structures by 0.00 A. Peak 9572 from cnoeabs.peaks (0.77, 2.75, 27.55 ppm; 6.80 A): 3 out of 7 assignments used, quality = 1.00: QD1 LEU 96 + HB2 CYS 73 OK 98 100 100 98 4.9-6.0 ~11693=73, 2.1/11803=53...(8) QG1 VAL 93 + HB2 CYS 73 OK 89 89 100 100 2.3-2.8 2.1/9573=100...(24) QD2 LEU 96 + HB2 CYS 73 OK 87 87 100 100 3.3-3.8 11693/3.4=75...(10) QD1 ILE 37 - HB2 CYS 73 far 14 96 15 - 7.0-7.9 HG12 ILE 129 - HB2 CYS 73 far 13 89 15 - 6.2-8.3 QD2 LEU 122 - HB2 CYS 73 far 0 83 0 - 8.2-10.4 QD2 LEU 43 - HB2 CYS 73 far 0 96 0 - 8.3-10.2 Violated in 0 structures by 0.00 A. Peak 9573 from cnoeabs.peaks (0.28, 2.75, 27.55 ppm; 5.17 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HB2 CYS 73 OK 100 100 100 100 2.7-3.3 9959=99, 2.1/9961=97...(22) QD1 ILE 80 - HB2 CYS 73 far 0 92 0 - 6.6-7.5 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 3.3-3.4 3.4=100 HB2 CYS 45 - HB3 CYS 73 far 0 68 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 9579 from cnoeabs.peaks (0.77, 3.32, 27.55 ppm; 6.70 A): 4 out of 8 assignments used, quality = 1.00: QD1 LEU 96 + HB3 CYS 73 OK 98 100 100 98 5.3-6.8 ~11693=71, ~11803=50...(10) QG1 VAL 93 + HB3 CYS 73 OK 81 81 100 100 1.7-2.5 ~9959=99, ~9959=96...(25) HG12 ILE 129 + HB3 CYS 73 OK 81 81 100 100 5.9-7.1 ~11142=67, ~10462=64...(13) QD2 LEU 96 + HB3 CYS 73 OK 78 78 100 100 3.3-4.3 11810/2233=63...(14) QD1 ILE 37 - HB3 CYS 73 far 0 99 0 - 7.6-8.7 QD2 LEU 43 - HB3 CYS 73 far 0 90 0 - 7.8-9.7 QD2 LEU 122 - HB3 CYS 73 far 0 90 0 - 8.3-11.1 QD2 LEU 49 - HB3 CYS 73 far 0 68 0 - 8.4-9.0 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 3.7-4.5 9570/3.0=100...(21) QD1 ILE 129 + HB3 CYS 73 OK 99 99 100 100 3.6-4.6 10462/3.4=83...(19) 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 1.7-1.8 9959/1.8=99, 9955/3.0=89...(32) QD1 ILE 80 + HB3 CYS 73 OK 29 65 60 74 5.3-6.5 9571/3.0=35...(9) Violated in 0 structures by 0.00 A. Peak 9590 from cnoeabs.peaks (0.78, 4.29, 61.42 ppm; 4.84 A): 1 out of 6 assignments used, quality = 0.63: QG1 VAL 93 + HA SER 74 OK 63 65 100 96 3.6-4.2 9575/2.9=71, ~9576=44...(11) QD1 ILE 32 - HA THR 25 far 5 98 5 - 3.0-8.7 QD2 LEU 96 - HA SER 74 far 0 63 0 - 6.4-7.2 QD1 ILE 37 - HA SER 74 far 0 100 0 - 6.8-8.1 QD1 LEU 96 - HA SER 74 far 0 100 0 - 8.5-9.5 QD1 ILE 37 - HA THR 25 far 0 98 0 - 8.7-14.2 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 4.5-5.1 2.1/9590=100...(16) QD1 ILE 80 + HA SER 74 OK 90 90 100 100 6.1-6.7 9648/11188=97...(7) Violated in 0 structures by 0.00 A. Peak 9592 from cnoeabs.peaks (1.03, 4.29, 61.42 ppm; 6.07 A): 1 out of 4 assignments used, quality = 0.60: QG1 VAL 77 + HA SER 74 OK 60 60 100 100 2.4-3.3 2.1/11195=100...(18) QD1 LEU 69 - HA SER 74 far 0 76 0 - 7.5-7.8 QG2 VAL 133 - HA SER 74 far 0 98 0 - 7.9-8.5 QG1 VAL 77 - HA THR 25 far 0 56 0 - 7.9-15.0 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: HG2 ARG 23 - HA2 GLY 75 far 0 87 0 - 7.7-21.0 Violated in 20 structures by 6.55 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 4.0-4.6 9611/3.5=88...(10) QG2 VAL 133 - HA2 GLY 75 far 0 76 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 9604 from cnoeabs.peaks (0.78, 4.32, 45.60 ppm; 5.33 A increased from 5.01 A): 1 out of 4 assignments used, quality = 1.00: QD1 ILE 37 + HA2 GLY 75 OK 100 100 100 100 3.9-5.5 9608/1.8=92, 9026/2.9=73...(10) QD1 ILE 32 - HA2 GLY 75 far 0 100 0 - 7.3-10.3 QG1 VAL 93 - HA2 GLY 75 far 0 65 0 - 7.3-7.8 QD2 LEU 96 - HA2 GLY 75 far 0 63 0 - 9.2-10.0 Violated in 3 structures by 0.01 A. Peak 9606 from cnoeabs.peaks (1.14, 3.90, 45.60 ppm; 6.58 A): 0 out of 1 assignment used, quality = 0.00: HG12 ILE 32 - HA3 GLY 75 far 0 71 0 - 8.6-11.0 Violated in 20 structures by 3.40 A. Peak 9608 from cnoeabs.peaks (0.77, 3.90, 45.60 ppm; 4.71 A): 1 out of 4 assignments used, quality = 0.95: QD1 ILE 37 + HA3 GLY 75 OK 95 99 100 95 2.7-4.0 9604/1.8=64, 9026/2.9=58...(6) QG1 VAL 93 - HA3 GLY 75 far 0 76 0 - 7.3-7.8 QD1 ILE 32 - HA3 GLY 75 far 0 100 0 - 7.9-9.8 QD2 LEU 96 - HA3 GLY 75 far 0 73 0 - 8.8-9.6 Violated in 0 structures by 0.00 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 4.2-4.8 9092/3.0=86, 10880=83...(21) QD1 ILE 129 - HA TYR 76 far 0 97 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 9616 from cnoeabs.peaks (1.18, 4.31, 59.97 ppm; 6.67 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 77 + HA TYR 76 OK 100 100 100 100 6.0-6.1 7044/3.6=99...(23) QB ALA 41 + HA TYR 76 OK 91 97 95 99 6.5-7.5 10819/10833=94...(7) HG3 LYS 39 - HA TYR 76 far 0 71 0 - 8.1-9.7 QG2 THR 25 - HA TYR 76 far 0 99 0 - 8.6-15.4 Violated in 0 structures by 0.00 A. Peak 9617 from cnoeabs.peaks (0.64, 2.76, 40.72 ppm; 5.35 A): 1 out of 4 assignments used, quality = 0.99: QD1 LEU 42 + HB2 TYR 76 OK 99 99 100 100 2.1-2.5 9092/1.8=97, 9615/3.0=77...(19) QD1 ILE 129 - HB2 ASP 131 far 0 77 0 - 6.6-7.8 QD1 ILE 129 - HB2 TYR 76 far 0 100 0 - 7.0-8.4 QD1 LEU 42 - HB2 ASP 131 far 0 74 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 9619 from cnoeabs.peaks (2.31, 2.76, 40.72 ppm; 6.22 A): 1 out of 5 assignments used, quality = 0.73: HB VAL 77 + HB2 TYR 76 OK 73 73 100 100 4.3-6.0 3.9/7037=88, ~11169=76...(18) HB3 GLN 134 - HB2 ASP 131 far 9 59 15 - 5.5-7.6 HG2 GLU 44 - HB2 TYR 76 far 0 65 0 - 8.9-12.2 HG3 GLN 68 - HB2 TYR 76 far 0 95 0 - 9.4-10.3 HG2 GLU 40 - HB2 TYR 76 far 0 100 0 - 10.0-12.7 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 2.3-3.1 9036=99, 10578/10558=84...(16) Violated in 0 structures by 0.00 A. Peak 9627 from cnoeabs.peaks (2.74, 6.47, 116.95 ppm; 6.80 A): 1 out of 4 assignments used, quality = 0.90: HB2 TYR 76 + QE TYR 76 OK 90 90 100 100 4.4-4.4 4.5=100 HB2 CYS 73 - QE TYR 76 far 0 100 0 - 8.3-9.6 HB3 ASP 78 - QE TYR 76 far 0 100 0 - 9.2-9.5 HB2 ASP 131 - QE TYR 76 far 0 60 0 - 9.9-10.8 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 5 assignments used, quality = 1.00: HB3 LYS 39 + QE TYR 76 OK 100 100 100 100 3.8-4.5 3.0/9036=97, 9037=93...(10) HG3 PRO 81 + QE TYR 76 OK 35 57 100 60 4.3-5.5 2.3/11162=26...(7) HB3 GLN 82 + QE TYR 76 OK 30 97 70 44 6.6-9.5 11263/9739=41, 1844/11162=1 HG3 GLN 134 - QE TYR 76 far 0 100 0 - 7.5-8.3 HB3 GLU 44 - QE TYR 76 far 0 100 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 9629 from cnoeabs.peaks (1.75, 6.47, 116.95 ppm; 6.00 A): 2 out of 6 assignments used, quality = 1.00: HB2 LYS 39 + QE TYR 76 OK 97 97 100 100 3.0-4.8 3.0/9036=88, 1.8/9037=83...(13) HB ILE 80 + QE TYR 76 OK 95 95 100 100 4.4-4.8 3.2/9746=97, 9738=89...(23) HB2 LEU 43 - QE TYR 76 far 0 76 0 - 6.7-8.0 HG13 ILE 129 - QE TYR 76 far 0 99 0 - 8.5-9.9 HG3 ARG 90 - QE TYR 76 far 0 87 0 - 9.2-10.5 HB2 LYS 19 - QE TYR 76 far 0 100 0 - 10.0-33.2 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 3 assignments used, quality = 1.00: QG2 VAL 77 + QE TYR 76 OK 100 100 100 100 5.4-5.8 9649/9746=94...(20) QB ALA 41 + QE TYR 76 OK 90 97 100 93 5.0-5.4 9042/9034=46...(10) HG3 LYS 39 + QE TYR 76 OK 71 71 100 100 3.4-4.9 4.0/9036=72, 2.9/9037=66...(13) 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 1.8-2.4 10555=97, 2.1/10558=88...(24) QG1 VAL 77 - QE TYR 76 far 0 89 0 - 6.5-6.8 Violated in 0 structures by 0.00 A. Peak 9632 from cnoeabs.peaks (0.83, 6.47, 116.95 ppm; 4.14 A): 3 out of 5 assignments used, quality = 1.00: QG1 VAL 133 + QE TYR 76 OK 100 100 100 100 1.9-3.7 10558=91, 2.1/10555=80...(20) HG13 ILE 80 + QE TYR 76 OK 95 96 100 100 1.9-2.4 2.1/9746=84, 3.0/9738=36...(25) QG2 ILE 80 + QE TYR 76 OK 78 78 100 99 4.2-4.5 3.1/9746=69, 4.0/9704=39...(25) QG2 ILE 129 - QE TYR 76 far 0 93 0 - 5.2-6.1 QG2 ILE 32 - QE TYR 76 far 0 85 0 - 9.5-10.2 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 2.9-3.3 9746=86, 10588/10555=50...(38) Violated in 0 structures by 0.00 A. Peak 9634 from cnoeabs.peaks (0.63, 6.47, 116.95 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 42 + QE TYR 76 OK 99 99 100 100 3.9-4.9 9092/4.5=91, 9615/4.7=83...(18) QD1 ILE 129 - QE TYR 76 far 0 92 0 - 7.7-8.4 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 2.1-2.7 9092=100, 9617/1.8=81...(19) QD1 ILE 129 - HB3 TYR 76 far 0 99 0 - 7.2-8.7 Violated in 0 structures by 0.00 A. Peak 9643 from cnoeabs.peaks (0.27, 3.45, 65.53 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HA VAL 77 OK 100 100 100 100 1.8-1.9 9725=98, 9649/2401=65...(37) QG2 VAL 93 - HA VAL 77 far 0 76 0 - 5.5-5.9 Violated in 0 structures by 0.00 A. Peak 9644 from cnoeabs.peaks (1.43, 3.45, 65.53 ppm; 6.80 A): 1 out of 4 assignments used, quality = 0.99: HG2 LYS 86 + HA VAL 77 OK 99 99 100 100 2.9-4.0 9650/3.2=99...(35) QB ALA 34 - HA VAL 77 lone 2 97 75 3 6.8-8.8 HG3 LYS 19 - HA VAL 77 far 0 92 0 - 7.7-35.6 QB ALA 92 - HA VAL 77 far 0 100 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 9645 from cnoeabs.peaks (1.74, 3.45, 65.53 ppm; 5.28 A): 1 out of 7 assignments used, quality = 1.00: HB ILE 80 + HA VAL 77 OK 100 100 100 100 2.5-2.9 3.2/9725=91, 9730=77...(36) HG3 ARG 90 - HA VAL 77 far 5 97 5 - 5.8-6.4 HG13 ILE 129 - HA VAL 77 far 0 100 0 - 7.8-10.6 HB2 LYS 39 - HA VAL 77 far 0 85 0 - 8.8-10.9 HB2 LYS 19 - HA VAL 77 far 0 99 0 - 9.2-36.0 HD3 LYS 39 - HA VAL 77 far 0 60 0 - 9.8-12.4 HB2 ARG 23 - HA VAL 77 far 0 95 0 - 9.9-27.5 Violated in 0 structures by 0.00 A. Peak 9646 from cnoeabs.peaks (0.80, 2.33, 31.62 ppm; 5.41 A increased from 5.10 A): 3 out of 5 assignments used, quality = 0.97: QG2 ILE 129 + HB VAL 77 OK 79 87 100 92 5.1-5.5 10457/9671=65, 11239=37...(8) HG13 ILE 80 + HB VAL 77 OK 70 83 85 100 5.2-6.2 ~9649=84, ~9648=73...(42) QG2 ILE 80 + HB VAL 77 OK 49 97 50 100 5.8-6.4 ~9649=69, ~9648=60...(40) QD1 LEU 70 - HB VAL 77 far 0 92 0 - 7.0-8.1 QD1 ILE 37 - HB VAL 77 far 0 71 0 - 7.1-8.8 Violated in 0 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 3.2-3.6 9649/2.1=96, 9725/3.0=86...(42) QG2 VAL 93 + HB VAL 77 OK 95 96 100 100 4.0-4.4 9969/2.1=78...(15) 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 4.7-5.1 9969/2.1=84...(21) QD1 ILE 80 + QG1 VAL 77 OK 96 96 100 100 3.9-4.1 9649/2.1=94, 9725/3.2=82...(58) 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 1.8-2.3 9725/2401=55...(53) QG2 VAL 93 + QG2 VAL 77 OK 43 76 60 94 3.7-4.4 9969=36, 9900/11192=30...(21) 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 8 assignments used, quality = 1.00: HG2 LYS 86 + QG1 VAL 77 OK 100 100 100 100 2.5-3.9 11742/2.1=80...(33) HG3 LYS 19 - QG1 VAL 77 far 4 83 5 - 3.4-28.1 QB ALA 34 - QG1 VAL 77 far 0 100 0 - 4.9-6.7 QB ALA 16 - QG1 VAL 77 far 0 85 0 - 7.0-27.0 QB ALA 92 - QG1 VAL 77 far 0 99 0 - 7.7-8.0 HG2 LYS 26 - QG1 VAL 77 far 0 98 0 - 9.0-14.9 HG LEU 96 - QG1 VAL 77 far 0 68 0 - 9.4-10.3 HG3 LYS 24 - QG1 VAL 77 far 0 78 0 - 9.6-19.9 Violated in 0 structures by 0.00 A. Peak 9651 from cnoeabs.peaks (1.72, 1.06, 19.25 ppm; 4.03 A): 2 out of 7 assignments used, quality = 0.99: HG3 ARG 90 + QG1 VAL 77 OK 98 98 100 100 2.7-3.7 1.8/9652=77, 11932=68...(29) HB ILE 80 + QG1 VAL 77 OK 42 93 45 100 4.4-4.8 3.2/9648=55, 9663/2.1=41...(38) HB2 LYS 19 - QG1 VAL 77 far 0 65 0 - 4.7-28.4 HG13 ILE 129 - QG1 VAL 77 far 0 81 0 - 7.3-10.0 HB2 LEU 70 - QG1 VAL 77 far 0 96 0 - 8.2-9.0 HB2 LYS 24 - QG1 VAL 77 far 0 73 0 - 8.7-17.5 HB3 LEU 70 - QG1 VAL 77 far 0 98 0 - 9.2-10.0 Violated in 0 structures by 0.00 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 2.5-3.6 1.8/9651=89, 9662/2.1=88...(24) HB VAL 20 - QG1 VAL 77 far 5 95 5 - 4.7-24.5 HB3 MET 11 - QG1 VAL 77 far 0 99 0 - 6.1-30.6 QE MET 11 - QG1 VAL 77 far 0 68 0 - 6.8-27.0 HB2 GLU 91 - QG1 VAL 77 far 0 83 0 - 8.2-9.2 HB ILE 129 - QG1 VAL 77 far 0 96 0 - 8.9-9.4 HG2 PRO 81 - QG1 VAL 77 far 0 90 0 - 9.3-10.1 HB3 GLU 91 - QG1 VAL 77 far 0 87 0 - 9.4-10.0 Violated in 0 structures by 0.00 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 3.3-3.6 7055/7052=87, 9692=84...(16) HG3 MET 11 - QG1 VAL 77 far 0 100 0 - 7.9-32.1 Violated in 0 structures by 0.00 A. Peak 9654 from cnoeabs.peaks (2.75, 1.06, 19.25 ppm; 4.49 A): 2 out of 5 assignments used, quality = 1.00: HB3 ASP 78 + QG1 VAL 77 OK 97 97 100 100 2.9-3.2 7056/7052=83...(17) HB2 TYR 76 + QG1 VAL 77 OK 82 97 85 100 4.8-5.9 7037/7043=61...(20) HB2 CYS 73 - QG1 VAL 77 far 0 100 0 - 5.6-6.4 HB3 ASN 13 - QG1 VAL 77 far 0 76 0 - 6.5-28.7 HB3 ASP 35 - QG1 VAL 77 far 0 100 0 - 9.8-12.5 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 4 assignments used, quality = 1.00: HD2 ARG 90 + QG1 VAL 77 OK 100 100 100 100 1.8-2.9 3.0/9651=70, 3.0/9652=64...(34) HD3 ARG 90 + QG1 VAL 77 OK 100 100 100 100 1.7-3.4 3.0/9651=70, 3.0/9652=64...(34) HD3 ARG 23 - QG1 VAL 77 far 0 100 0 - 5.9-22.0 HD2 ARG 23 - QG1 VAL 77 far 0 100 0 - 6.9-22.1 Violated in 0 structures by 0.00 A. Peak 9659 from cnoeabs.peaks (3.17, 1.18, 22.07 ppm; 3.78 A): 2 out of 7 assignments used, quality = 1.00: HD2 ARG 90 + QG2 VAL 77 OK 100 100 100 100 1.7-2.4 3.0/9662=63, 2.9/9676=54...(36) HD3 ARG 90 + QG2 VAL 77 OK 100 100 100 100 2.3-3.5 3.0/9662=63, 2.9/9676=54...(36) HD3 ARG 23 - QG2 VAL 77 far 0 100 0 - 7.4-24.4 HD3 ARG 84 - QG2 VAL 77 far 0 73 0 - 8.2-11.5 HD2 ARG 84 - QG2 VAL 77 far 0 73 0 - 8.5-11.4 HD2 ARG 23 - QG2 VAL 77 far 0 100 0 - 8.6-24.4 HB2 HIS 10 - QG2 VAL 77 far 0 100 0 - 9.2-36.2 Violated in 0 structures by 0.00 A. Peak 9660 from cnoeabs.peaks (2.94, 1.18, 22.07 ppm; 4.86 A): 1 out of 6 assignments used, quality = 0.92: HE3 LYS 86 + QG2 VAL 77 OK 92 92 100 100 2.7-4.2 1.8/11196=97...(21) HE3 LYS 19 - QG2 VAL 77 far 4 83 5 - 5.0-32.4 HE2 LYS 19 - QG2 VAL 77 far 0 93 0 - 6.3-32.2 HG CYS 73 - QG2 VAL 77 far 0 99 0 - 7.1-7.7 HE2 LYS 39 - QG2 VAL 77 far 0 95 0 - 9.2-11.7 HD2 ARG 135 - QG2 VAL 77 far 0 99 0 - 9.5-10.5 Violated in 0 structures by 0.00 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 1.7-2.0 9652/2.1=59...(26) HB VAL 20 - QG2 VAL 77 far 0 98 0 - 5.5-26.9 HB2 GLU 91 - QG2 VAL 77 far 0 90 0 - 6.4-7.2 HB3 MET 11 - QG2 VAL 77 far 0 96 0 - 6.9-32.4 HB ILE 129 - QG2 VAL 77 far 0 99 0 - 7.2-8.1 HG2 PRO 81 - QG2 VAL 77 far 0 96 0 - 7.5-9.1 HB3 GLU 91 - QG2 VAL 77 far 0 78 0 - 7.6-8.2 HG3 ARG 135 - QG2 VAL 77 far 0 78 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 9663 from cnoeabs.peaks (1.73, 1.18, 22.07 ppm; 3.38 A): 2 out of 9 assignments used, quality = 1.00: HG3 ARG 90 + QG2 VAL 77 OK 100 100 100 100 2.5-3.3 1.8/9662=69, 9651/2.1=55...(29) HB ILE 80 + QG2 VAL 77 OK 99 99 100 100 3.0-3.4 3.2/9649=50...(38) HG13 ILE 129 - QG2 VAL 77 far 0 95 0 - 5.7-8.8 HB2 LYS 19 - QG2 VAL 77 far 0 85 0 - 6.8-30.6 HB2 ARG 23 - QG2 VAL 77 far 0 73 0 - 7.8-23.5 HG2 ARG 135 - QG2 VAL 77 far 0 81 0 - 8.6-10.3 HB2 LYS 39 - QG2 VAL 77 far 0 57 0 - 9.1-11.0 HB2 LEU 70 - QG2 VAL 77 far 0 83 0 - 9.5-10.0 HD3 LYS 39 - QG2 VAL 77 far 0 87 0 - 9.9-12.1 Violated in 0 structures by 0.00 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 3.6-4.4 9671/3.0=80...(27) 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 2.9-4.1 9677/2401=87...(27) HE ARG 135 - HA VAL 77 far 0 93 0 - 9.9-13.3 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 2 assignments used, quality = 0.99: H ILE 80 + HA VAL 77 OK 99 99 100 100 2.9-3.2 9712=82, 7077/9725=77...(16) HE21 GLN 82 - HA VAL 77 far 0 65 0 - 9.1-12.2 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 4.5-4.9 9746/9725=72, ~11169=49...(23) QD TYR 76 + HA VAL 77 OK 78 78 100 100 3.1-3.5 11169/2401=75...(29) 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 4 assignments used, quality = 1.00: H TYR 76 + HB VAL 77 OK 100 100 100 100 4.3-4.5 3.1/7042=90, 9611/2.1=79...(21) H CYS 79 + HB VAL 77 OK 100 100 100 100 5.0-5.2 9697/2.1=82...(17) H VAL 20 - HB VAL 77 far 0 87 0 - 8.1-33.1 H ALA 16 - HB VAL 77 far 0 92 0 - 9.2-39.5 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 2.5-3.1 9676/2.1=76, 2.2/9672=70...(21) 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 2.0-3.1 9677/2.1=87, 2.2/9671=71...(28) 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 3.8-4.5 2.2/9674=79, 9671/2.1=73...(23) Violated in 2 structures by 0.00 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 3.5-4.1 9677/2.1=92, 9672/2.1=77...(30) Violated in 0 structures by 0.00 A. Peak 9675 from cnoeabs.peaks (8.04, 1.06, 19.25 ppm; 4.04 A): 2 out of 4 assignments used, quality = 1.00: H TYR 76 + QG1 VAL 77 OK 99 99 100 100 3.9-4.5 3.1/7043=73, 9611=66...(23) H CYS 79 + QG1 VAL 77 OK 99 99 100 100 3.8-3.9 7059/7052=73, 9697=71...(19) H VAL 20 - QG1 VAL 77 far 0 65 0 - 4.8-25.9 H ALA 16 - QG1 VAL 77 far 0 99 0 - 7.2-31.3 Violated in 0 structures by 0.00 A. Peak 9676 from cnoeabs.peaks (7.36, 1.18, 22.07 ppm; 4.04 A increased from 3.80 A): 1 out of 1 assignment used, quality = 0.99: HE ARG 90 + QG2 VAL 77 OK 99 99 100 100 2.5-4.0 11841=95, 11842/2.1=65...(18) Violated in 0 structures by 0.00 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 1.8-2.0 2.2/9676=60, 9672/2.1=52...(30) HE ARG 135 - QG2 VAL 77 far 0 97 0 - 8.1-11.2 Violated in 0 structures by 0.00 A. Peak 9678 from cnoeabs.peaks (8.07, 1.18, 22.07 ppm; 4.78 A increased from 4.50 A): 1 out of 4 assignments used, quality = 0.73: H CYS 79 + QG2 VAL 77 OK 73 73 100 100 4.6-4.8 4.6/7053=58...(19) H TYR 76 - QG2 VAL 77 far 0 73 0 - 5.5-5.6 H VAL 20 - QG2 VAL 77 far 0 100 0 - 6.2-28.3 HD22 ASN 85 - QG2 VAL 77 far 0 92 0 - 6.8-8.6 Violated in 0 structures by 0.00 A. Peak 9684 from cnoeabs.peaks (4.08, 3.45, 65.53 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: HA PHE 89 + HA VAL 77 OK 100 100 100 100 6.2-6.7 3.1/9667=98, 4.7/9666=83...(23) HA CYS 79 + HA VAL 77 OK 81 81 100 100 6.1-6.3 2.9/9702=96, 3.6/9668=93...(11) HB3 SER 74 - HA VAL 77 far 0 90 0 - 7.8-8.7 HB2 SER 74 - HA VAL 77 far 0 89 0 - 8.0-8.8 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 3.3-3.6 9653=97, 7052/7055=95...(16) QG2 VAL 133 - HB2 ASP 78 far 0 68 0 - 8.7-9.6 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 2.9-3.2 7052/7056=94...(18) QG2 VAL 133 - HB3 ASP 78 far 0 92 0 - 9.4-10.2 QG1 VAL 77 - HB3 ASP 35 far 0 55 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 9694 from cnoeabs.peaks (1.41, 2.74, 39.87 ppm; 6.80 A): 4 out of 9 assignments used, quality = 1.00: HG2 LYS 86 + HB3 ASP 78 OK 98 99 100 100 5.6-6.5 11742/11206=83...(5) QB ALA 34 + HB3 ASP 35 OK 55 55 100 100 3.7-4.4 10801/3.0=100...(4) HG13 ILE 32 + HB3 ASP 35 OK 28 31 100 89 5.3-6.4 2.1/10846=62, ~10807=33...(5) HG2 LYS 26 + HB3 ASP 35 OK 22 40 75 74 3.7-10.3 ~10800=66, 2.9/11209=16 QB ALA 34 - HB3 ASP 78 lone 3 99 100 3 4.4-6.8 QB ALA 28 - HB3 ASP 35 far 0 27 0 - 7.5-9.2 HG2 LYS 26 - HB3 ASP 78 far 0 83 0 - 7.9-15.1 QB ALA 16 - HB3 ASP 78 far 0 99 0 - 8.9-29.6 HG3 LYS 31 - HB3 ASP 35 far 0 37 0 - 9.7-12.4 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 2.7-2.9 11155=79, 7052/2.9=75...(21) QG2 VAL 133 - HA ASP 78 far 0 100 0 - 8.3-9.2 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 4.9-5.4 9706/1.8=69, 9704/4.4=47...(10) QD TYR 76 + HB3 CYS 79 OK 88 90 100 98 4.1-4.5 ~9706=59, 3.1/11911=56...(11) Violated in 0 structures by 0.00 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 4.2-4.8 9704/4.4=73, ~9705=62...(10) QD TYR 76 + HB2 CYS 79 OK 68 68 100 100 4.1-4.6 9705/1.8=74...(11) 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 5 assignments used, quality = 0.95: HG2 LYS 86 + HB ILE 80 OK 95 95 100 100 2.2-4.2 1.8/11167=74...(36) QB ALA 15 - HB ILE 80 far 0 71 0 - 7.5-33.0 QB ALA 34 - HB ILE 80 far 0 97 0 - 7.5-9.7 HB2 LEU 42 - HB ILE 80 far 0 60 0 - 9.1-9.7 QB ALA 92 - HB ILE 80 far 0 78 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 9714 from cnoeabs.peaks (2.25, 0.82, 16.92 ppm; 5.29 A): 2 out of 9 assignments used, quality = 0.99: HB3 LEU 96 + QG2 ILE 129 OK 97 97 100 100 4.9-5.6 10492/4163=91...(19) HB2 PRO 81 + QG2 ILE 80 OK 65 65 100 100 4.5-5.1 2.3/11909=78...(29) HB3 GLU 128 - QG2 ILE 129 far 0 81 0 - 6.3-6.8 HG2 GLU 97 - QG2 ILE 129 far 0 71 0 - 6.6-7.5 HG2 GLU 91 - QG2 ILE 129 far 0 85 0 - 6.6-8.4 HB3 GLN 127 - QG2 ILE 129 far 0 83 0 - 7.9-8.2 HG2 GLN 68 - QG2 ILE 129 far 0 92 0 - 7.9-9.0 HG2 GLU 91 - QG2 ILE 80 far 0 52 0 - 9.1-10.0 HB2 GLN 68 - QG2 ILE 129 far 0 65 0 - 9.5-10.7 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 4 assignments used, quality = 0.88: HG3 GLN 82 + QG2 ILE 80 OK 69 69 100 100 3.1-5.2 2.9/11263=99...(11) HG2 GLN 82 + QG2 ILE 80 OK 61 61 100 100 4.5-5.6 2.9/11263=99...(11) HG3 GLN 82 - QG2 ILE 129 far 0 100 0 - 9.2-12.7 HG2 GLN 82 - QG2 ILE 129 far 0 95 0 - 9.9-12.4 Violated in 0 structures by 0.00 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 3.9-4.1 2.1/9649=87, 9648=79...(56) QG2 VAL 133 + QD1 ILE 80 OK 95 95 100 100 2.7-3.2 10588=89, 3.2/9726=56...(36) Violated in 0 structures by 0.00 A. Peak 9720 from cnoeabs.peaks (1.43, 0.27, 13.24 ppm; 4.70 A): 1 out of 4 assignments used, quality = 0.99: HG2 LYS 86 + QD1 ILE 80 OK 99 99 100 100 2.3-3.8 1.8/11225=88...(38) QB ALA 92 - QD1 ILE 80 far 0 100 0 - 6.1-6.8 QB ALA 34 - QD1 ILE 80 far 0 97 0 - 7.1-8.7 HG3 LYS 19 - QD1 ILE 80 far 0 92 0 - 7.9-31.5 Violated in 0 structures by 0.00 A. Peak 9721 from cnoeabs.peaks (1.96, 0.27, 13.24 ppm; 5.44 A): 1 out of 4 assignments used, quality = 0.99: HB3 LYS 86 + QD1 ILE 80 OK 99 99 100 100 3.7-4.4 9825=97, 3.0/9727=96...(35) HB3 ARG 90 - QD1 ILE 80 far 0 97 0 - 6.4-7.0 HB3 PRO 81 - QD1 ILE 80 far 0 89 0 - 6.8-7.5 HB ILE 37 - QD1 ILE 80 far 0 99 0 - 7.4-8.1 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 3 assignments used, quality = 0.88: HB VAL 77 + QD1 ILE 80 OK 71 71 100 100 3.2-3.6 2.1/9649=100...(42) HB VAL 132 + QD1 ILE 80 OK 60 60 100 100 3.4-3.9 2.1/11738=100...(21) HB3 GLN 134 - QD1 ILE 80 far 0 83 0 - 8.4-9.4 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 2 assignments used, quality = 0.96: HB2 ASN 85 + QD1 ILE 80 OK 93 93 100 100 3.1-4.1 1.8/11222=100...(19) HB3 ASP 78 + QD1 ILE 80 OK 47 57 85 96 6.6-6.9 4.3/9699=68, 4.1/9689=65...(6) 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 99 99 100 100 1.9-2.3 2.7/9747=63...(27) HB3 PHE 89 + QD1 ILE 80 OK 94 95 100 100 2.2-2.8 2.7/9747=63...(24) HB3 CYS 73 - QD1 ILE 80 far 0 100 0 - 5.3-6.5 HB3 TYR 72 - QD1 ILE 80 far 0 83 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 9725 from cnoeabs.peaks (3.44, 0.27, 13.24 ppm; 3.73 A): 1 out of 3 assignments used, quality = 0.99: HA VAL 77 + QD1 ILE 80 OK 99 99 100 100 1.8-1.9 9643=93, 2401/9649=63...(37) HA ILE 129 - QD1 ILE 80 far 0 78 0 - 5.3-5.8 HA VAL 126 - QD1 ILE 80 far 0 99 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 9726 from cnoeabs.peaks (3.78, 0.27, 13.24 ppm; 4.87 A): 1 out of 5 assignments used, quality = 0.92: HA VAL 133 + QD1 ILE 80 OK 92 92 100 100 3.6-4.0 3.2/10588=80, 10590=78...(22) HA ARG 90 - QD1 ILE 80 far 10 96 10 - 5.3-5.9 HA SER 130 - QD1 ILE 80 far 0 100 0 - 6.4-6.8 HA LEU 43 - QD1 ILE 80 far 0 100 0 - 8.2-8.7 HB3 SER 130 - QD1 ILE 80 far 0 99 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 9727 from cnoeabs.peaks (3.89, 0.27, 13.24 ppm; 4.04 A): 1 out of 5 assignments used, quality = 1.00: HA LYS 86 + QD1 ILE 80 OK 100 100 100 100 1.9-2.2 9820=100, 11193/9649=62...(38) HA3 GLY 75 - QD1 ILE 80 far 0 90 0 - 7.7-7.9 HA LEU 70 - QD1 ILE 80 far 0 99 0 - 8.7-9.2 HB2 SER 94 - QD1 ILE 80 far 0 92 0 - 8.8-9.8 HA ALA 46 - QD1 ILE 80 far 0 99 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 9728 from cnoeabs.peaks (3.44, 1.21, 27.07 ppm; 6.07 A): 1 out of 2 assignments used, quality = 0.98: HA VAL 77 + HG12 ILE 80 OK 98 98 100 100 3.9-4.4 9725/2.1=100...(34) HA ILE 129 - HG12 ILE 80 far 0 76 0 - 7.5-8.2 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 3.2-3.7 9819/2.1=100...(32) HA3 GLY 75 - HB ILE 80 far 0 90 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 9731 from cnoeabs.peaks (3.78, 0.82, 16.92 ppm; 4.32 A increased from 4.07 A): 3 out of 10 assignments used, quality = 1.00: HA SER 130 + QG2 ILE 129 OK 100 100 100 100 3.5-4.4 2.9/4143=70, 11746=45...(27) HA VAL 133 + QG2 ILE 80 OK 44 58 75 99 4.5-5.2 9726/3.1=65, ~10588=29...(29) HA ARG 90 + QG2 ILE 129 OK 42 96 55 79 4.3-5.3 9897/9946=32...(7) HB3 SER 130 - QG2 ILE 129 far 0 99 0 - 5.1-5.7 HA LEU 43 - QG2 ILE 129 far 0 100 0 - 5.4-6.4 HA VAL 133 - QG2 ILE 129 far 0 92 0 - 5.4-6.1 HA ARG 90 - QG2 ILE 80 far 0 62 0 - 7.9-8.5 HA GLU 97 - QG2 ILE 129 far 0 83 0 - 8.3-9.0 HA SER 130 - QG2 ILE 80 far 0 70 0 - 8.5-9.4 HB2 SER 99 - QG2 ILE 129 far 0 76 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 9737 from cnoeabs.peaks (6.47, 4.12, 58.67 ppm; 5.52 A): 2 out of 4 assignments used, quality = 1.00: QE TYR 76 + HA ILE 80 OK 100 100 100 100 2.3-3.4 9746/2472=88...(13) QD TYR 76 + HA ILE 80 OK 59 60 100 99 3.4-4.3 ~9704=55, ~9738=48...(14) QD TYR 76 - HA CYS 79 far 3 28 10 - 6.1-6.5 QE TYR 76 - HA CYS 79 far 0 58 0 - 6.3-6.8 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 4.2-4.5 9746/3.1=91, 9738/2.1=70...(28) QD TYR 76 + QG2 ILE 80 OK 60 60 100 100 4.9-5.2 ~9746=64, ~9633=54...(35) QE TYR 76 + QG2 ILE 129 OK 55 69 85 93 5.2-6.1 9634/9083=63...(11) QD TYR 76 + QG2 ILE 129 OK 31 35 100 91 4.4-5.1 11146/11142=49...(10) 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 4.6-5.2 9747/3.1=92, ~9749=59...(29) QD PHE 89 + QG2 ILE 129 OK 62 62 100 100 2.5-3.1 2.2/10457=69...(34) HE ARG 135 - QG2 ILE 80 far 5 100 5 - 6.0-8.9 HE ARG 135 - QG2 ILE 129 far 0 69 0 - 7.8-10.3 Violated in 0 structures by 0.00 A. Peak 9741 from cnoeabs.peaks (7.29, 0.81, 17.22 ppm; 4.43 A): 2 out of 11 assignments used, quality = 0.94: H ASN 85 + QG2 ILE 80 OK 85 85 100 100 3.3-3.7 3.6/11236=72...(13) HZ PHE 89 + QG2 ILE 129 OK 59 60 100 99 2.5-3.0 2.2/10457=60...(23) QD PHE 87 - QG2 ILE 80 far 0 68 0 - 6.1-7.2 H ARG 135 - QG2 ILE 80 far 0 81 0 - 6.4-7.4 QE PHE 87 - QG2 ILE 80 far 0 89 0 - 6.9-8.9 HZ PHE 89 - QG2 ILE 80 far 0 93 0 - 7.0-7.6 H ARG 135 - QG2 ILE 129 far 0 49 0 - 7.5-8.3 QD PHE 87 - QG2 ILE 129 far 0 40 0 - 8.3-9.8 H ASN 85 - QG2 ILE 129 far 0 52 0 - 8.6-9.5 QE PHE 87 - QG2 ILE 129 far 0 55 0 - 8.8-11.4 HD2 HIS 10 - QG2 ILE 129 far 0 44 0 - 9.9-36.7 Violated in 0 structures by 0.00 A. Peak 9742 from cnoeabs.peaks (7.55, 0.81, 17.22 ppm; 4.04 A): 1 out of 6 assignments used, quality = 0.99: H GLN 82 + QG2 ILE 80 OK 99 100 100 99 1.8-3.1 11261=82, 4.0/11263=41...(16) H VAL 77 - QG2 ILE 129 far 0 63 0 - 5.5-5.9 H ASP 78 - QG2 ILE 80 far 0 63 0 - 6.1-6.3 H VAL 77 - QG2 ILE 80 far 0 97 0 - 6.1-6.5 H ASP 78 - QG2 ILE 129 far 0 36 0 - 7.7-8.1 H GLN 82 - QG2 ILE 129 far 0 69 0 - 9.2-10.4 Violated in 0 structures by 0.00 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 2.5-3.5 9633/2.1=78, 9704/4.4=47...(14) QD TYR 76 + HG12 ILE 80 OK 81 81 100 100 3.6-4.4 ~9746=68, ~9633=55...(24) 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 1.9-2.4 9633/2.1=91, 9738/3.0=61...(26) QD TYR 76 + HG13 ILE 80 OK 71 71 100 100 2.3-3.0 ~9746=79, ~9633=66...(33) Violated in 0 structures by 0.00 A. Peak 9746 from cnoeabs.peaks (6.46, 0.27, 13.24 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.99: QE TYR 76 + QD1 ILE 80 OK 99 99 100 100 2.9-3.3 10555/10588=42, 9633=39...(33) Violated in 0 structures by 0.00 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 2.0-2.5 9677/9649=65...(30) HE ARG 135 - QD1 ILE 80 far 0 99 0 - 6.1-8.9 Violated in 0 structures by 0.00 A. Peak 9748 from cnoeabs.peaks (7.31, 0.27, 13.24 ppm; 5.05 A): 1 out of 3 assignments used, quality = 0.99: HZ PHE 89 + QD1 ILE 80 OK 99 99 100 100 3.8-4.2 2.2/9749=91, 3.8/9747=77...(18) H ARG 135 - QD1 ILE 80 far 0 100 0 - 6.3-6.9 QD PHE 87 - QD1 ILE 80 far 0 99 0 - 6.6-7.4 Violated in 0 structures by 0.00 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 3.0-3.3 2.2/9747=89...(31) Violated in 0 structures by 0.00 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 3.6-3.8 3.0/9725=92...(33) H GLN 82 + QD1 ILE 80 OK 77 99 85 91 4.9-6.0 9742/3.1=79...(5) 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 4 assignments used, quality = 1.00: H CYS 79 + QD1 ILE 80 OK 100 100 100 100 4.4-4.6 9699=85, 7066/7077=83...(24) H TYR 76 + QD1 ILE 80 OK 90 100 90 100 5.3-5.5 3.0/9736=58...(17) H SER 130 - QD1 ILE 80 far 0 97 0 - 7.3-7.7 H VAL 20 - QD1 ILE 80 far 0 89 0 - 9.0-29.6 Violated in 0 structures by 0.00 A. Peak 9753 from cnoeabs.peaks (8.33, 0.82, 16.92 ppm; 4.24 A): 1 out of 7 assignments used, quality = 0.67: H LYS 86 + QG2 ILE 80 OK 67 67 100 100 2.2-2.7 9813=98, 2.9/9819=60...(26) H TYR 72 - QG2 ILE 129 far 0 97 0 - 6.5-7.3 H LYS 86 - QG2 ILE 129 far 0 99 0 - 7.7-8.4 H GLU 44 - QG2 ILE 129 far 0 100 0 - 8.1-9.0 H LYS 19 - QG2 ILE 80 far 0 57 0 - 8.5-31.3 H GLY 17 - QG2 ILE 80 far 0 61 0 - 8.8-33.3 H ALA 21 - QG2 ILE 80 far 0 42 0 - 8.8-28.2 Violated in 0 structures by 0.00 A. Peak 9754 from cnoeabs.peaks (1.46, 3.75, 66.49 ppm; 6.04 A): 1 out of 2 assignments used, quality = 0.85: HG3 LYS 86 + HA THR 83 OK 85 85 100 100 2.8-5.2 1.8/11341=98...(21) HG3 LYS 19 - HA THR 83 far 0 96 0 - 7.1-38.0 Violated in 0 structures by 0.00 A. Peak 9755 from cnoeabs.peaks (1.65, 3.75, 66.49 ppm; 4.57 A): 2 out of 7 assignments used, quality = 1.00: HD3 LYS 86 + HA THR 83 OK 97 97 100 100 2.9-4.0 11343=88, 9759/2517=74...(13) HD2 LYS 86 + HA THR 83 OK 87 97 90 100 4.1-5.4 1.8/11343=88...(13) HG2 ARG 84 - HA THR 83 far 5 97 5 - 5.1-6.5 HG3 ARG 84 - HA THR 83 far 0 97 0 - 5.5-7.6 QB ALA 88 - HA THR 83 far 0 95 0 - 7.0-7.8 HD3 LYS 19 - HA THR 83 far 0 100 0 - 7.0-39.5 HD2 LYS 19 - HA THR 83 far 0 100 0 - 7.5-39.3 Violated in 0 structures by 0.00 A. Peak 9756 from cnoeabs.peaks (1.65, 4.17, 68.68 ppm; 4.91 A): 2 out of 7 assignments used, quality = 0.96: HG2 ARG 84 + HB THR 83 OK 83 93 90 99 3.4-6.5 4.6/7088=67...(10) HG3 ARG 84 + HB THR 83 OK 79 93 85 99 3.8-6.9 4.6/7088=67...(10) HD3 LYS 86 - HB THR 83 far 10 99 10 - 5.3-6.4 HD2 LYS 86 - HB THR 83 far 0 99 0 - 6.8-8.0 QB ALA 88 - HB THR 83 far 0 97 0 - 7.6-8.7 HD2 LYS 19 - HB THR 83 far 0 100 0 - 8.3-41.0 HD3 LYS 19 - HB THR 83 far 0 100 0 - 8.4-41.3 Violated in 2 structures by 0.10 A. Peak 9757 from cnoeabs.peaks (1.80, 4.17, 68.68 ppm; 5.35 A increased from 5.04 A): 2 out of 3 assignments used, quality = 0.97: HB2 ARG 84 + HB THR 83 OK 96 96 100 100 4.4-5.3 11272=93, 7091/7088=88...(14) HB2 LYS 86 + HB THR 83 OK 35 100 35 100 5.4-6.4 11312/2.1=99...(15) HB3 ARG 135 - HB THR 83 far 0 81 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 9758 from cnoeabs.peaks (1.92, 4.17, 68.68 ppm; 5.66 A increased from 4.76 A): 1 out of 3 assignments used, quality = 0.87: HB3 ARG 84 + HB THR 83 OK 87 87 100 100 4.9-5.8 3.9/7088=90...(12) HB3 PRO 81 - HB THR 83 far 0 76 0 - 8.6-9.7 HB2 ARG 135 - HB THR 83 far 0 83 0 - 9.4-11.6 Violated in 2 structures by 0.01 A. Peak 9759 from cnoeabs.peaks (1.66, 1.24, 22.04 ppm; 3.79 A increased from 3.57 A): 1 out of 7 assignments used, quality = 0.98: HD3 LYS 86 + QG2 THR 83 OK 98 100 100 98 2.8-3.7 11343/2517=51...(16) HG2 ARG 84 - QG2 THR 83 far 12 83 15 - 4.3-6.2 HD2 LYS 86 - QG2 THR 83 far 5 100 5 - 4.4-5.2 HG3 ARG 84 - QG2 THR 83 far 0 83 0 - 4.9-6.9 HD3 LYS 19 - QG2 THR 83 far 0 99 0 - 6.1-33.0 HD2 LYS 19 - QG2 THR 83 far 0 99 0 - 6.1-32.7 QB ALA 88 - QG2 THR 83 far 0 100 0 - 6.3-7.0 Violated in 0 structures by 0.00 A. Peak 9760 from cnoeabs.peaks (1.93, 1.24, 22.04 ppm; 3.97 A): 1 out of 6 assignments used, quality = 0.76: HB3 LYS 86 + QG2 THR 83 OK 76 76 100 100 2.9-3.3 1.8/11312=79...(19) HB3 ARG 84 - QG2 THR 83 far 0 63 0 - 5.2-5.9 HB2 ARG 90 - QG2 THR 83 far 0 85 0 - 7.2-8.2 HB3 PRO 81 - QG2 THR 83 far 0 95 0 - 8.1-9.3 HB3 ARG 90 - QG2 THR 83 far 0 85 0 - 8.5-9.5 HB2 MET 11 - QG2 THR 83 far 0 98 0 - 9.9-40.2 Violated in 0 structures by 0.00 A. Peak 9763 from cnoeabs.peaks (3.20, 4.17, 68.68 ppm; 6.31 A increased from 5.94 A): 2 out of 2 assignments used, quality = 0.99: HD3 ARG 84 + HB THR 83 OK 95 100 95 100 2.8-7.6 5.7/7088=78...(10) HD2 ARG 84 + HB THR 83 OK 90 100 90 100 2.7-7.5 5.7/7088=78...(10) Violated in 0 structures by 0.00 A. Peak 9765 from cnoeabs.peaks (4.59, 4.17, 68.68 ppm; 5.10 A increased from 4.53 A): 1 out of 1 assignment used, quality = 0.99: HA GLN 82 + HB THR 83 OK 99 100 100 99 4.7-4.9 3.6/9772=81, 9769/2.1=66...(7) Violated in 0 structures by 0.00 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): 1 out of 4 assignments used, quality = 0.96: H ASN 85 + HA THR 83 OK 96 99 100 97 3.8-4.2 7132/7129=76...(8) HD21 ASN 85 - HA THR 83 far 6 60 10 - 6.3-8.1 QE PHE 87 - HA THR 83 far 0 100 0 - 6.6-8.0 HE ARG 84 - HA THR 83 far 0 76 0 - 6.8-9.3 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 2.6-2.9 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): 1 out of 2 assignments used, quality = 0.95: H PHE 87 + HB THR 83 OK 95 95 100 100 5.5-6.0 11240/2.1=98...(8) HD22 ASN 85 - HB THR 83 poor 19 81 35 67 6.2-8.7 5.3/9774=50...(5) 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 = 1.00: H ASN 85 + HB THR 83 OK 99 100 100 100 4.7-5.0 3.7/7088=82...(12) HE ARG 84 + HB THR 83 OK 51 81 65 98 4.0-8.5 5.5/11274=48...(9) QE PHE 87 - HB THR 83 far 0 100 0 - 5.8-7.5 HD21 ASN 85 - HB THR 83 far 0 65 0 - 6.7-9.1 Violated in 0 structures by 0.00 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; 3.61 A increased from 3.20 A): 1 out of 1 assignment used, quality = 0.95: QD PHE 87 + QG2 THR 83 OK 95 99 100 96 3.3-3.9 9837=67, 2.5/9835=41...(12) Violated in 3 structures by 0.03 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 3.5-4.0 2520/2.8=92...(19) HG12 ILE 80 - HA ARG 84 far 0 73 0 - 7.8-9.1 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 2 assignments used, quality = 0.00: QG2 VAL 20 - HA ARG 84 far 0 100 0 - 9.5-31.6 QG1 VAL 20 - HA ARG 84 far 0 92 0 - 9.8-33.9 Violated in 20 structures by 12.79 A. Peak 9788 from cnoeabs.peaks (1.66, 2.69, 37.63 ppm; 5.84 A): 1 out of 7 assignments used, quality = 1.00: QB ALA 88 + HB2 ASN 85 OK 100 100 100 100 4.3-5.5 9853=100, 2750/3.0=99...(11) HG3 ARG 84 - HB2 ASN 85 poor 19 83 25 93 5.4-8.1 ~11320=39, ~9807=20...(21) HG2 ARG 84 - HB2 ASN 85 far 12 83 15 - 3.7-8.1 HD3 LYS 86 - HB2 ASN 85 far 0 100 0 - 7.0-8.6 HD2 LYS 86 - HB2 ASN 85 far 0 100 0 - 7.3-9.2 HG LEU 43 - HB2 ASN 85 far 0 93 0 - 9.2-11.0 HD2 LYS 39 - HB2 ASN 85 far 0 81 0 - 9.6-12.1 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 4 assignments used, quality = 0.91: HB3 GLN 82 + HB2 ASN 85 OK 76 76 100 100 4.5-6.7 9798/3.5=93...(17) HG3 PRO 81 + HB2 ASN 85 OK 62 89 90 78 4.9-7.9 ~10238=36, ~10238=33...(5) HG3 GLN 134 - HB2 ASN 85 far 0 95 0 - 7.5-10.3 QE MET 11 - HB2 ASN 85 far 0 63 0 - 8.1-40.6 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 1.7-3.4 11743/1.8=97...(20) QG2 VAL 132 + HB2 ASN 85 OK 85 100 85 100 4.2-6.0 ~11743=73, ~9794=65...(22) HG2 LYS 39 - HB2 ASN 85 far 0 100 0 - 8.0-10.8 HG3 LYS 39 - HB2 ASN 85 far 0 76 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 9791 from cnoeabs.peaks (0.81, 2.69, 37.63 ppm; 4.37 A): 1 out of 4 assignments used, quality = 1.00: QG2 ILE 80 + HB2 ASN 85 OK 100 100 100 100 2.6-3.9 11237=99, 11236/1.8=96...(21) HG13 ILE 80 - HB2 ASN 85 poor 19 96 20 - 4.5-5.5 QG1 VAL 133 - HB2 ASN 85 far 0 71 0 - 5.4-6.8 QG2 ILE 129 - HB2 ASN 85 far 0 97 0 - 5.9-8.3 Violated in 0 structures by 0.00 A. Peak 9793 from cnoeabs.peaks (0.81, 2.82, 37.63 ppm; 4.46 A): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 80 + HB3 ASN 85 OK 99 99 100 100 1.9-3.6 11172=99, 11237/1.8=91...(17) HG13 ILE 80 + HB3 ASN 85 OK 86 90 95 100 3.7-5.1 3.2/11236=76...(15) QG1 VAL 133 - HB3 ASN 85 far 0 60 0 - 5.4-6.5 QG2 ILE 129 - HB3 ASN 85 far 0 93 0 - 6.1-7.5 Violated in 0 structures by 0.00 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 4.4-5.8 2.1/11743=99, ~10535=55...(21) QG1 VAL 132 + HB3 ASN 85 OK 92 92 100 100 1.9-3.2 11660=87, 11738/11222=79...(22) HG2 LYS 39 - HB3 ASN 85 far 0 97 0 - 7.9-11.2 HG3 LYS 39 - HB3 ASN 85 far 0 97 0 - 8.3-9.6 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 2.0-2.4 11157=99, 9663/3.0=79...(24) Violated in 0 structures by 0.00 A. Peak 9819 from cnoeabs.peaks (0.81, 3.89, 60.84 ppm; 4.24 A): 2 out of 4 assignments used, quality = 0.99: QG2 ILE 80 + HA LYS 86 OK 99 99 100 100 2.5-3.3 11240/3.0=72...(29) HG13 ILE 80 + HA LYS 86 OK 35 89 40 100 4.6-5.0 2.1/9727=87, 3.0/9729=52...(30) QG2 ILE 129 - HA LYS 86 far 0 92 0 - 6.0-6.7 QG1 VAL 133 - HA LYS 86 far 0 57 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 9820 from cnoeabs.peaks (0.27, 3.89, 60.84 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HA LYS 86 OK 100 100 100 100 1.9-2.2 9727=100, 9649/11193=76...(39) QG2 VAL 93 - HA LYS 86 far 0 83 0 - 6.1-6.7 Violated in 0 structures by 0.00 A. Peak 9821 from cnoeabs.peaks (0.80, 1.79, 32.72 ppm; 4.88 A): 1 out of 11 assignments used, quality = 0.97: QG2 ILE 80 + HB2 LYS 86 OK 97 97 100 100 2.1-4.4 11240/1.8=95...(40) HG13 ILE 80 - HB2 LYS 86 far 8 83 10 - 5.2-7.3 QD1 LEU 70 - HB3 LYS 24 far 0 51 0 - 6.0-23.9 QD1 ILE 32 - HB3 LYS 31 far 0 37 0 - 6.4-7.6 QG2 ILE 80 - HB3 LYS 19 far 0 64 0 - 6.7-30.4 QD1 ILE 32 - HB3 LYS 24 far 0 33 0 - 6.9-11.2 QD1 LEU 70 - HB3 LYS 19 far 0 58 0 - 8.0-30.7 QG2 ILE 129 - HB2 LYS 86 far 0 87 0 - 8.1-8.8 QD1 ILE 32 - HB3 LYS 19 far 0 38 0 - 8.5-19.0 HG13 ILE 80 - HB3 LYS 19 far 0 50 0 - 9.7-35.8 QD1 ILE 37 - HB3 LYS 31 far 0 41 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 9822 from cnoeabs.peaks (0.27, 1.79, 32.72 ppm; 6.80 A): 1 out of 5 assignments used, quality = 1.00: QD1 ILE 80 + HB2 LYS 86 OK 100 100 100 100 3.1-4.4 9825/1.8=100...(38) QG2 VAL 93 - HB2 LYS 86 far 0 90 0 - 7.7-8.5 QD1 ILE 80 - HB3 LYS 19 far 0 68 0 - 8.6-30.7 QG2 VAL 93 - HB3 LYS 19 far 0 56 0 - 9.5-32.5 QG2 VAL 93 - HB3 LYS 24 far 0 50 0 - 9.8-23.2 Violated in 0 structures by 0.00 A. Peak 9823 from cnoeabs.peaks (1.19, 1.95, 32.72 ppm; 4.79 A): 1 out of 6 assignments used, quality = 0.99: QG2 VAL 77 + HB3 LYS 86 OK 99 99 100 100 3.7-4.2 9663/1.8=97...(29) HG12 ILE 80 - HB3 LYS 86 far 11 76 15 - 4.9-6.3 HG12 ILE 80 - HB3 PRO 81 far 0 60 0 - 5.8-6.7 QG2 VAL 77 - HB3 PRO 81 far 0 85 0 - 8.9-9.5 QG2 VAL 77 - HB2 LYS 95 far 0 33 0 - 9.4-10.4 QG2 THR 18 - HB3 LYS 86 far 0 89 0 - 9.4-31.0 Violated in 0 structures by 0.00 A. Peak 9824 from cnoeabs.peaks (1.17, 1.79, 32.72 ppm; 4.50 A): 3 out of 13 assignments used, quality = 0.99: QG2 VAL 77 + HB2 LYS 86 OK 95 95 100 100 3.0-3.6 9823/1.8=77...(29) QG2 THR 18 + HB3 LYS 19 OK 66 68 100 97 4.5-4.8 6147/3.9=63...(12) QG2 THR 25 + HB3 LYS 24 OK 44 46 100 96 3.2-4.0 ~10693=56, 6242/6233=56...(12) QG2 THR 25 - HB3 LYS 19 far 3 52 5 - 2.5-14.3 HG12 ILE 32 - HB3 LYS 31 far 0 66 0 - 5.7-7.4 QG2 VAL 77 - HB3 LYS 19 far 0 60 0 - 6.1-29.6 QG2 THR 25 - HB3 LYS 31 far 0 51 0 - 6.3-13.2 QG2 THR 18 - HB3 LYS 24 far 0 61 0 - 6.9-13.4 QG2 THR 18 - HB3 LYS 31 far 0 68 0 - 7.6-22.8 HG12 ILE 32 - HB3 LYS 24 far 0 60 0 - 8.6-14.3 QG2 THR 18 - HB2 LYS 86 far 0 100 0 - 9.0-30.4 HG12 ILE 32 - HB3 LYS 19 far 0 67 0 - 9.7-21.0 QG2 VAL 77 - HB3 LYS 24 far 0 54 0 - 10.0-20.7 Violated in 0 structures by 0.00 A. Peak 9825 from cnoeabs.peaks (0.27, 1.95, 32.72 ppm; 6.80 A): 4 out of 5 assignments used, quality = 1.00: QD1 ILE 80 + HB3 LYS 86 OK 100 100 100 100 3.7-4.4 9822/1.8=100...(35) QD1 ILE 80 + HB3 PRO 81 OK 70 87 80 100 6.8-7.5 11178/3.0=90, ~11281=79...(29) QG2 VAL 93 + HB2 LYS 95 OK 27 27 100 100 6.1-6.5 9945/9948=90...(11) QG2 VAL 93 + HB3 LYS 95 OK 23 33 70 98 7.0-7.7 9981/4.0=80...(8) QG2 VAL 93 - HB3 LYS 86 far 0 90 0 - 8.4-9.0 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 = 0.99: QD1 ILE 80 + HG2 LYS 86 OK 96 96 100 100 2.3-3.8 9827/1.8=98, 9825/3.0=97...(39) QG2 VAL 93 + HG2 LYS 86 OK 87 99 90 98 6.9-7.5 9969/11742=95...(5) Violated in 0 structures by 0.00 A. Peak 9827 from cnoeabs.peaks (0.30, 1.47, 25.00 ppm; 6.80 A): 0 out of 1 assignment used, quality = 0.00: QG2 VAL 93 - HG3 LYS 86 poor 19 97 20 - 6.8-8.9 Violated in 20 structures by 1.39 A. Peak 9828 from cnoeabs.peaks (0.29, 1.65, 29.32 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.75: QG2 VAL 93 + HD3 LYS 95 OK 61 97 65 97 6.1-8.3 9981/5.5=61...(10) QG2 VAL 93 + HD2 LYS 95 OK 37 99 40 92 6.4-8.5 9981/5.5=61...(10) Violated in 1 structures by 0.00 A. Peak 9833 from cnoeabs.peaks (1.93, 3.23, 38.18 ppm; 5.00 A increased from 4.71 A): 1 out of 8 assignments used, quality = 0.83: HB3 LYS 86 + HB2 PHE 87 OK 83 83 100 100 3.8-5.1 9760/9835=61...(16) HB2 ARG 90 - HB3 PHE 87 poor 15 76 20 - 5.3-6.2 HB3 LYS 86 - HB3 PHE 87 far 12 81 15 - 5.2-6.5 HB2 ARG 90 - HB2 PHE 87 far 0 78 0 - 5.8-6.5 HB3 ARG 90 - HB3 PHE 87 far 0 89 0 - 6.4-7.9 HB2 MET 11 - HB3 PHE 87 far 0 94 0 - 6.6-45.4 HB3 ARG 90 - HB2 PHE 87 far 0 90 0 - 7.2-8.3 HB2 MET 11 - HB2 PHE 87 far 0 96 0 - 7.7-46.1 Violated in 1 structures by 0.00 A. Peak 9834 from cnoeabs.peaks (1.65, 3.23, 38.18 ppm; 5.24 A increased from 4.19 A): 2 out of 10 assignments used, quality = 1.00: QB ALA 88 + HB2 PHE 87 OK 96 96 100 100 4.5-5.1 7185/4.5=78, 9836/2.5=71...(21) QB ALA 88 + HB3 PHE 87 OK 94 94 100 100 3.6-5.0 7185/4.5=78, 9836/2.5=71...(23) HG2 ARG 84 - HB2 PHE 87 far 5 96 5 - 5.6-7.5 HD3 LYS 86 - HB2 PHE 87 far 0 97 0 - 6.0-6.9 HG2 ARG 84 - HB3 PHE 87 far 0 94 0 - 6.5-9.0 HG3 ARG 84 - HB2 PHE 87 far 0 96 0 - 6.9-8.1 HD2 LYS 86 - HB2 PHE 87 far 0 97 0 - 7.1-8.2 HD3 LYS 86 - HB3 PHE 87 far 0 96 0 - 7.3-8.3 HG3 ARG 84 - HB3 PHE 87 far 0 94 0 - 7.6-9.4 HD2 LYS 86 - HB3 PHE 87 far 0 96 0 - 8.0-9.5 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 3.8-4.3 9776/2.5=98...(11) QG2 THR 83 + HB3 PHE 87 OK 98 98 100 100 5.3-5.8 9776/2.5=98...(10) HG12 ILE 80 - HB2 PHE 87 far 0 76 0 - 8.2-9.6 HG12 ILE 80 - HB3 PHE 87 far 0 74 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 9836 from cnoeabs.peaks (1.65, 7.32, 131.40 ppm; 6.80 A): 3 out of 7 assignments used, quality = 1.00: HD3 LYS 86 + QD PHE 87 OK 97 97 100 100 5.5-7.2 9759/9776=95...(6) QB ALA 88 + QD PHE 87 OK 96 96 100 100 3.3-5.0 2.1/9849=98, 3.0/7181=98...(21) HG2 ARG 84 + QD PHE 87 OK 40 96 85 49 4.5-7.6 3.9/5522=41, ~2550=4...(6) HD2 LYS 86 - QD PHE 87 far 15 97 15 - 6.7-8.3 HG3 ARG 84 - QD PHE 87 poor 12 96 25 49 5.7-8.4 3.9/5522=41, ~2550=4...(6) HD2 LYS 95 - QD PHE 87 far 0 100 0 - 8.9-10.9 HD3 LYS 95 - QD PHE 87 far 0 97 0 - 9.1-11.3 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 3.3-3.9 9776=90, 9835/2.5=79...(12) HG12 ILE 80 - QD PHE 87 far 0 90 0 - 8.4-10.2 Violated in 0 structures by 0.00 A. Peak 9841 from cnoeabs.peaks (1.64, 4.26, 61.26 ppm; 5.97 A): 2 out of 8 assignments used, quality = 0.99: HD3 LYS 86 + HA PHE 87 OK 93 93 100 99 5.4-6.5 3.5/11288=56, ~7158=49...(11) QB ALA 88 + HA PHE 87 OK 90 90 100 100 5.0-5.0 7185/3.6=90, 9836/3.7=73...(18) HD2 LYS 86 - HA PHE 87 far 14 93 15 - 6.0-7.5 HG2 ARG 84 - HA PHE 87 far 0 99 0 - 8.1-9.6 HG3 ARG 84 - HA PHE 87 far 0 99 0 - 9.3-10.2 HD3 LYS 95 - HA PHE 87 far 0 93 0 - 9.7-12.5 HD3 LYS 19 - HA PHE 87 far 0 100 0 - 9.9-41.0 HD2 LYS 19 - HA PHE 87 far 0 100 0 - 10.0-40.9 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 6 assignments used, quality = 1.00: H LYS 86 + HB2 PHE 87 OK 100 100 100 100 4.6-5.0 7154/4.0=82, 9817=76...(12) H LYS 86 + HB3 PHE 87 OK 74 99 75 99 5.7-6.4 7154/4.0=82, 9817/1.8=67...(9) H GLY 14 - HB3 PHE 87 far 0 69 0 - 7.4-44.6 H GLY 17 - HB2 PHE 87 far 0 81 0 - 8.0-42.7 H GLY 17 - HB3 PHE 87 far 0 79 0 - 9.0-43.6 H GLY 14 - HB2 PHE 87 far 0 71 0 - 9.0-43.9 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 3 assignments used, quality = 1.00: H PHE 87 + QD PHE 87 OK 100 100 100 100 2.7-3.6 4.2=100 H GLU 91 + QD PHE 87 OK 99 99 100 100 4.5-5.2 11310/2.5=88...(10) H ALA 15 - QD PHE 87 far 4 76 5 - 4.2-37.2 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 3 assignments used, quality = 0.99: H GLU 91 + QE PHE 87 OK 94 97 100 97 6.1-6.9 11310/4.4=73...(5) H PHE 87 + QE PHE 87 OK 85 85 100 100 4.6-5.7 6.3=100 H ALA 15 - QE PHE 87 far 15 99 15 - 2.0-36.7 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 6 assignments used, quality = 0.96: H ASN 85 + QB ALA 88 OK 85 85 100 100 4.6-5.5 2.9/2750=96, 3.6/9853=69...(14) QD PHE 87 + QB ALA 88 OK 68 68 100 100 3.3-5.0 7181/7185=51...(19) QE PHE 87 + QB ALA 88 OK 22 89 25 98 2.5-6.8 2.2/9836=64, ~9849=50...(11) H ARG 135 - QB ALA 88 far 0 81 0 - 7.0-7.6 HD2 HIS 10 - QB ALA 88 far 0 73 0 - 8.1-42.3 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): 1 out of 2 assignments used, quality = 0.98: QD PHE 87 + HA ALA 88 OK 98 98 100 100 2.8-4.6 7181/2.9=96, 9836/2.1=89...(20) HE ARG 90 - HA ALA 88 far 7 73 10 - 6.7-9.9 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; 4.64 A increased from 4.37 A): 2 out of 4 assignments used, quality = 1.00: H PHE 87 + QB ALA 88 OK 100 100 100 100 4.3-4.6 7170/7185=86, 7161=61...(16) H GLU 91 + QB ALA 88 OK 99 99 100 100 4.5-4.8 7227/2.1=78...(15) H VAL 133 - QB ALA 88 far 0 63 0 - 6.1-6.7 H ALA 15 - QB ALA 88 far 0 71 0 - 8.6-38.0 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 4.2-4.4 4.7=100 HB3 PHE 89 + QB ALA 88 OK 93 93 100 100 4.8-5.2 4.7=100 HB3 CYS 73 - QB ALA 88 far 0 100 0 - 8.9-9.7 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 4.3-5.5 3.0/2750=99, 9788=98...(11) Violated in 0 structures by 0.00 A. Peak 9854 from cnoeabs.peaks (2.25, 1.66, 18.14 ppm; 4.97 A): 1 out of 3 assignments used, quality = 0.81: HG2 GLU 91 + QB ALA 88 OK 81 81 100 100 3.1-4.9 1.8/9910=81, 3.0/9865=71...(23) HB3 GLU 128 - QB ALA 88 far 0 76 0 - 5.6-6.7 HB3 LEU 96 - QB ALA 88 far 0 96 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 9859 from cnoeabs.peaks (3.21, 4.20, 54.89 ppm; 5.71 A): 2 out of 7 assignments used, quality = 0.92: HB2 PHE 87 + HA ALA 88 OK 76 76 100 100 5.1-5.5 2.5/9849=78, ~9836=58...(20) HB3 PHE 87 + HA ALA 88 OK 65 65 100 100 3.8-4.9 2.5/9849=78, ~9836=58...(22) HD2 ARG 84 - HA ALA 88 far 0 97 0 - 6.6-11.8 HD3 ARG 135 - HA ALA 88 far 0 65 0 - 7.2-9.3 HD3 ARG 84 - HA ALA 88 far 0 97 0 - 7.3-11.7 HB3 HIS 8 - HA ALA 88 far 0 100 0 - 9.9-52.5 HB3 CYS 125 - HA ALA 88 far 0 100 0 - 9.9-12.3 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 3.9-4.4 ~11661=69, ~9857=61...(20) Violated in 0 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 1.8-2.1 10533=65, 2.1/10533=25...(27) QG2 VAL 132 + QB ALA 88 OK 97 100 100 97 1.9-2.8 2.1/10533=41, 10533=38...(27) Violated in 0 structures by 0.00 A. Peak 9865 from cnoeabs.peaks (2.00, 1.66, 18.14 ppm; 4.68 A increased from 4.41 A): 1 out of 6 assignments used, quality = 1.00: HB2 GLU 91 + QB ALA 88 OK 100 100 100 100 3.7-4.6 2860/2.1=86, 3.0/9854=65...(23) HG2 ARG 90 - QB ALA 88 far 0 71 0 - 6.4-7.5 HB3 MET 11 - QB ALA 88 far 0 71 0 - 6.4-38.2 HB ILE 129 - QB ALA 88 far 0 100 0 - 7.3-8.5 HG2 PRO 81 - QB ALA 88 far 0 100 0 - 7.9-11.5 HB2 GLN 134 - QB ALA 88 far 0 76 0 - 8.8-10.6 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 2.2-3.1 9947/2897=49...(33) QG1 VAL 132 + HA PHE 89 OK 97 97 100 100 2.8-3.4 10539=60, 2.1/11377=44...(32) 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 = 1.00: QD1 ILE 80 + HA PHE 89 OK 100 100 100 100 3.9-4.2 9747/3.1=94, 9869/2.9=83...(26) QG2 VAL 93 + HA PHE 89 OK 83 83 100 100 3.4-4.0 9945/2897=76...(18) 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 7 assignments used, quality = 1.00: QG2 VAL 132 + HB2 PHE 89 OK 100 100 100 100 3.4-4.2 2.1/10537=63, ~11650=60...(24) QG1 VAL 132 + HB2 PHE 89 OK 100 100 100 100 2.0-2.8 10537=63, 10539/3.0=61...(25) QG2 VAL 132 + HB3 PHE 89 OK 61 61 100 100 4.4-5.3 ~11650=60, ~11943=60...(24) QG1 VAL 132 + HB3 PHE 89 OK 60 60 100 100 3.3-4.2 10537/1.8=66...(26) HG3 LYS 39 - HB2 PHE 89 far 0 81 0 - 8.9-10.3 HG2 LYS 39 - HB2 PHE 89 far 0 100 0 - 9.0-12.0 HG3 LYS 39 - HB3 PHE 89 far 0 43 0 - 10.0-11.6 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 1.9-2.3 9747/2.7=98, 9749/4.5=84...(27) QG2 VAL 93 + HB2 PHE 89 OK 62 63 100 98 4.7-5.1 9924/2.7=49, 9954/3.0=49...(13) QD1 ILE 80 + HB3 PHE 89 OK 58 58 100 100 2.2-2.8 9747/2.7=98, 9749/4.5=84...(24) QG2 VAL 93 + HB3 PHE 89 OK 31 31 100 97 4.2-4.7 9924/2.7=49, 9954/3.0=49...(10) 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 7 assignments used, quality = 1.00: QG2 VAL 132 + HB3 PHE 89 OK 100 100 100 100 4.4-5.3 ~11650=60, ~11943=60...(25) QG1 VAL 132 + HB3 PHE 89 OK 100 100 100 100 3.3-4.2 10537/1.8=66...(27) QG2 VAL 132 + HB2 PHE 89 OK 61 61 100 100 3.4-4.2 ~11650=60, ~11943=60...(24) QG1 VAL 132 + HB2 PHE 89 OK 60 60 100 100 2.0-2.8 10539/3.0=61, ~11650=60...(25) HG3 LYS 39 - HB2 PHE 89 far 0 43 0 - 8.9-10.3 HG2 LYS 39 - HB2 PHE 89 far 0 61 0 - 9.0-12.0 HG3 LYS 39 - HB3 PHE 89 far 0 81 0 - 10.0-11.6 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 2.2-2.8 9747/2.7=99, 9749/4.5=82...(25) QG2 VAL 93 + HB3 PHE 89 OK 73 73 100 99 4.2-4.7 9924/2.7=61, 9954/3.0=60...(10) QD1 ILE 80 + HB2 PHE 89 OK 61 61 100 100 1.9-2.3 9747/2.7=99, 9749/4.5=82...(27) QG2 VAL 93 + HB2 PHE 89 OK 37 38 100 99 4.7-5.1 9924/2.7=61, 9954/3.0=60...(13) 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 1.8-2.0 2.1/9672=93, 2.1/9674=84...(31) QG2 VAL 132 + QD PHE 89 OK 73 73 100 100 3.3-4.1 2.1/11650=88...(36) HG2 LYS 39 - QD PHE 89 far 0 63 0 - 7.1-9.7 HG3 LYS 39 - QD PHE 89 far 0 99 0 - 7.1-8.1 QB ALA 41 - QD PHE 89 far 0 99 0 - 9.5-9.9 QG2 THR 25 - QD PHE 89 far 0 71 0 - 9.9-18.2 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 2.0-3.4 10552/2.2=98, 10554=96...(20) QG1 VAL 77 + QD PHE 89 OK 96 96 100 100 3.5-4.1 2.1/9677=100...(30) Violated in 0 structures by 0.00 A. Peak 9882 from cnoeabs.peaks (0.81, 7.07, 131.30 ppm; 6.80 A): 5 out of 8 assignments used, quality = 1.00: QG2 ILE 80 + QD PHE 89 OK 100 100 100 100 4.6-5.2 3.1/9747=98...(28) QG2 ILE 129 + QD PHE 89 OK 97 97 100 100 2.5-3.1 3.2/10459=95...(35) HG13 ILE 80 + QD PHE 89 OK 95 95 100 100 3.9-4.5 2.1/9747=98, ~9749=94...(27) QG1 VAL 133 + QD PHE 89 OK 68 68 100 100 4.5-5.2 2.1/10554=99, ~10552=97...(14) QD1 LEU 70 + QD PHE 89 OK 22 99 95 24 6.9-7.7 9497/5535=21 QD1 LEU 122 - QD PHE 89 far 0 100 0 - 9.3-11.7 QD2 LEU 122 - QD PHE 89 far 0 73 0 - 9.8-12.2 QD2 LEU 49 - QD PHE 89 far 0 93 0 - 10.0-10.3 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 2.4-3.1 9924=100, 11424/2.2=100...(25) QD1 ILE 80 + QD PHE 89 OK 73 73 100 100 2.0-2.5 10588/10554=84...(31) 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 3.9-4.1 7243/3.6=79, 3.0/9897=68...(14) H ALA 88 - HA ARG 90 far 0 71 0 - 7.1-7.3 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 1.9-5.1 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 2.6-4.1 7213/2.9=91...(12) Violated in 0 structures by 0.00 A. Peak 9887 from cnoeabs.peaks (7.34, 1.73, 28.15 ppm; 4.46 A): 1 out of 2 assignments used, quality = 0.95: HE ARG 90 + HG3 ARG 90 OK 95 95 100 100 2.1-3.8 4.0=100 QD PHE 87 - HG3 ARG 90 far 0 83 0 - 6.1-8.6 Violated in 0 structures by 0.00 A. Peak 9888 from cnoeabs.peaks (7.08, 1.73, 28.15 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.92: QD PHE 89 + HG3 ARG 90 OK 92 92 100 100 3.3-5.1 5.0/7220=90...(9) HZ PHE 87 - HG3 ARG 90 far 0 90 0 - 8.2-12.7 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 2.8-3.8 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 4 assignments used, quality = 1.00: * HE ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.7-2.9 2.9=100 HE ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.3-2.9 2.9=100 HE ARG 90 - HD3 ARG 23 far 0 93 0 - 7.0-27.6 HE ARG 90 - HD2 ARG 23 far 0 93 0 - 7.7-27.7 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; 5.34 A increased from 5.03 A): 1 out of 6 assignments used, quality = 0.89: QB ALA 92 + HA ARG 90 OK 89 89 100 100 5.0-5.1 9970/9953=82...(14) HG2 LYS 86 - HA ARG 90 far 0 99 0 - 6.3-7.3 HG3 LYS 95 - HA ARG 90 far 0 65 0 - 6.5-9.4 HG2 LYS 95 - HA ARG 90 far 0 71 0 - 6.7-10.0 HG LEU 96 - HA ARG 90 far 0 92 0 - 7.8-8.6 QB ALA 16 - HA ARG 90 far 0 99 0 - 8.6-36.3 Violated in 0 structures by 0.00 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 3.3-3.7 11192=87, 2.1/11185=85...(15) 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 3 assignments used, quality = 0.00: QD1 LEU 96 - HA ARG 90 far 0 99 0 - 8.1-8.8 QD1 LEU 122 - HA ARG 90 far 0 65 0 - 9.3-12.1 QD2 LEU 122 - HA ARG 90 far 0 99 0 - 9.6-12.4 Violated in 20 structures by 3.58 A. Peak 9900 from cnoeabs.peaks (0.28, 3.79, 59.97 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HA ARG 90 OK 100 100 100 100 2.6-3.6 9953=100, 2.1/2793=80...(21) QD1 ILE 80 - HA ARG 90 far 0 90 0 - 5.3-5.9 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 = 0.90: HE3 LYS 95 + HG3 GLU 91 OK 82 100 95 87 3.2-5.5 9908/1.8=73...(4) HE2 LYS 95 + HG3 GLU 91 OK 43 100 50 87 4.8-6.6 ~9908=56, ~9908=54...(5) HB3 ASP 131 - HG3 GLU 91 far 0 98 0 - 8.4-11.6 Violated in 2 structures by 0.03 A. Peak 9908 from cnoeabs.peaks (2.88, 2.23, 35.02 ppm; 5.38 A increased from 5.06 A): 1 out of 3 assignments used, quality = 0.90: HE3 LYS 95 + HG2 GLU 91 OK 90 100 100 90 4.5-5.2 9906/1.8=57...(6) HE2 LYS 95 - HG2 GLU 91 far 0 100 0 - 6.0-6.7 HB3 ASP 131 - HG2 GLU 91 far 0 89 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 9910 from cnoeabs.peaks (1.65, 2.11, 35.02 ppm; 4.35 A): 1 out of 3 assignments used, quality = 0.92: QB ALA 88 + HG3 GLU 91 OK 92 92 100 100 3.3-4.5 2.1/9915=73, 9854/1.8=61...(22) HD2 LYS 95 - HG3 GLU 91 far 15 99 15 - 4.9-8.2 HD3 LYS 95 - HG3 GLU 91 far 0 95 0 - 5.4-7.1 Violated in 1 structures by 0.01 A. Peak 9911 from cnoeabs.peaks (1.40, 2.11, 35.02 ppm; 5.52 A): 1 out of 6 assignments used, quality = 0.60: QB ALA 92 + HG3 GLU 91 OK 60 60 100 100 2.7-5.4 9914/1.8=98, 3.0/7255=89...(22) HG2 LYS 95 - HG3 GLU 91 far 9 95 10 - 5.3-8.3 HG3 LYS 95 - HG3 GLU 91 far 5 92 5 - 5.5-9.2 QB ALA 15 - HG3 GLU 91 far 0 87 0 - 7.4-38.4 HG2 LYS 86 - HG3 GLU 91 far 0 83 0 - 8.7-11.2 HB2 LEU 96 - HG3 GLU 91 far 0 83 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Peak 9912 from cnoeabs.peaks (0.87, 2.11, 35.02 ppm; 4.83 A): 0 out of 2 assignments used, quality = 0.00: QD2 LEU 98 - HG3 GLU 91 far 0 99 0 - 8.6-10.8 QD2 LEU 70 - HG3 GLU 91 far 0 95 0 - 9.6-11.6 Violated in 20 structures by 3.86 A. Peak 9913 from cnoeabs.peaks (0.86, 2.23, 35.02 ppm; 4.30 A): 0 out of 1 assignment used, quality = 0.00: QD2 LEU 98 - HG2 GLU 91 far 0 95 0 - 9.6-11.0 Violated in 20 structures by 5.87 A. Peak 9914 from cnoeabs.peaks (1.40, 2.23, 35.02 ppm; 5.35 A): 1 out of 5 assignments used, quality = 0.71: QB ALA 92 + HG2 GLU 91 OK 71 71 100 100 2.9-5.7 9911/1.8=94, 3.0/7254=87...(21) HG2 LYS 95 - HG2 GLU 91 far 0 89 0 - 6.2-8.8 HG3 LYS 95 - HG2 GLU 91 far 0 85 0 - 6.6-9.2 QB ALA 15 - HG2 GLU 91 far 0 78 0 - 7.3-39.1 HG2 LYS 86 - HG2 GLU 91 far 0 90 0 - 9.0-10.8 Violated in 2 structures by 0.03 A. Peak 9915 from cnoeabs.peaks (4.22, 2.11, 35.02 ppm; 4.87 A): 1 out of 4 assignments used, quality = 0.87: HA ALA 88 + HG3 GLU 91 OK 87 87 100 100 2.0-3.4 9916/1.8=94, 2.1/9910=90...(15) HA GLU 128 - HG3 GLU 91 far 0 71 0 - 8.1-11.0 HA ARG 84 - HG3 GLU 91 far 0 68 0 - 8.3-11.2 HA SER 94 - HG3 GLU 91 far 0 97 0 - 8.4-9.8 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 1.8-3.4 9915/1.8=72, 2.1/9854=58...(16) HA ARG 84 - HG2 GLU 91 far 0 78 0 - 8.4-9.7 HA SER 94 - HG2 GLU 91 far 0 99 0 - 8.4-10.0 HA GLU 128 - HG2 GLU 91 far 0 60 0 - 8.5-11.8 Violated in 0 structures by 0.00 A. Peak 9917 from cnoeabs.peaks (7.32, 2.11, 35.02 ppm; 6.23 A increased from 5.25 A): 1 out of 3 assignments used, quality = 0.99: QD PHE 87 + HG3 GLU 91 OK 99 99 100 100 3.4-6.1 9918/1.8=98...(10) HE ARG 90 - HG3 GLU 91 far 0 65 0 - 7.0-10.5 HZ PHE 89 - HG3 GLU 91 far 0 87 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 9918 from cnoeabs.peaks (7.32, 2.23, 35.02 ppm; 5.14 A increased from 4.83 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 87 + HG2 GLU 91 OK 100 100 100 100 3.4-5.2 11352=91, 11351/1.8=60...(11) Violated in 2 structures by 0.00 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 4.2-4.4 9936/2.1=95...(18) Violated in 0 structures by 0.00 A. Peak 9922 from cnoeabs.peaks (7.80, 0.29, 23.10 ppm; 4.90 A): 1 out of 2 assignments used, quality = 0.92: H ALA 92 + QG2 VAL 93 OK 92 92 100 100 4.0-4.4 3.0/9970=88, 9936=88...(18) H GLY 75 - QG2 VAL 93 far 0 92 0 - 5.7-6.1 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 = 0.86: HZ PHE 89 + QG2 VAL 93 OK 81 81 100 100 3.2-4.1 2.2/11424=89...(18) HE ARG 90 + QG2 VAL 93 OK 25 73 35 99 3.3-6.5 5.6/9953=44...(19) QD PHE 87 - QG2 VAL 93 far 0 98 0 - 8.2-9.1 H ARG 135 - QG2 VAL 93 far 0 93 0 - 9.6-10.3 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 2.4-3.1 2.2/11424=93...(25) HE ARG 135 - QG2 VAL 93 far 0 89 0 - 9.4-11.8 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 3 assignments used, quality = 1.00: HB3 CYS 125 + HA ALA 92 OK 100 100 100 100 4.3-6.7 1.8/11395=98, ~11396=92...(17) HB3 HIS 8 - HA ALA 92 far 0 100 0 - 8.6-47.9 HB3 PHE 87 - HA ALA 92 far 0 73 0 - 9.3-10.4 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 100 100 100 100 2.1-4.4 3.0/9941=54, 9950/2.1=50...(22) HE2 LYS 95 + HA ALA 92 OK 99 100 100 100 2.1-4.7 3.0/9941=54, 3.0/9941=40...(21) HB3 ASP 131 - HA ALA 92 far 0 90 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 9940 from cnoeabs.peaks (2.23, 4.05, 55.00 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: HG2 GLU 91 + HA ALA 92 OK 100 100 100 100 4.1-6.4 9914/2.1=100...(22) HB3 GLU 128 + HA ALA 92 OK 100 100 100 100 6.0-6.7 ~10444=97, ~10444=95...(17) HB3 LEU 96 + HA ALA 92 OK 99 99 100 100 5.1-5.8 10492/9942=86...(18) HB3 GLN 127 - HA ALA 92 far 0 100 0 - 9.4-11.0 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 5 assignments used, quality = 0.95: HD3 LYS 95 + HA ALA 92 OK 81 85 100 96 3.1-4.7 5.5/2894=31, 3.0/9928=28...(21) HD2 LYS 95 + HA ALA 92 OK 75 93 85 95 1.8-5.5 5.5/2894=31, 3.0/9928=28...(21) QB ALA 88 - HA ALA 92 far 0 81 0 - 5.7-6.9 HB2 LEU 98 - HA ALA 92 far 0 96 0 - 8.1-8.6 HB2 LEU 69 - HA ALA 92 far 0 60 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 9942 from cnoeabs.peaks (0.66, 4.05, 55.00 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.92: QD1 ILE 129 + HA ALA 92 OK 92 92 100 100 3.9-4.6 9944/2.1=100, ~11317=90...(32) QD1 LEU 42 - HA ALA 92 far 0 78 0 - 9.8-10.4 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 3 assignments used, quality = 0.85: QD1 ILE 129 + QB ALA 92 OK 85 85 100 100 1.8-2.9 10491=77, 3.0/9946=63...(27) QD1 LEU 42 - QB ALA 92 far 0 68 0 - 7.0-7.4 QD2 LEU 100 - QB ALA 92 far 0 85 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 9945 from cnoeabs.peaks (0.28, 1.43, 18.02 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + QB ALA 92 OK 100 100 100 100 3.2-3.6 9970=99, 10487/10491=81...(32) QD1 ILE 80 - QB ALA 92 far 0 90 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 9946 from cnoeabs.peaks (0.82, 1.43, 18.02 ppm; 4.34 A): 1 out of 8 assignments used, quality = 1.00: QG2 ILE 129 + QB ALA 92 OK 100 100 100 100 2.9-3.9 4163/10491=85...(28) QD1 LEU 122 - QB ALA 92 far 0 89 0 - 6.2-9.0 QD1 LEU 70 - QB ALA 92 far 0 100 0 - 7.2-7.9 QD2 LEU 49 - QB ALA 92 far 0 65 0 - 7.5-8.2 QD1 LEU 53 - QB ALA 92 far 0 57 0 - 7.9-10.1 QG2 ILE 80 - QB ALA 92 far 0 97 0 - 8.1-9.1 QG1 VAL 133 - QB ALA 92 far 0 95 0 - 8.2-8.8 HG13 ILE 80 - QB ALA 92 far 0 100 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 9947 from cnoeabs.peaks (1.14, 1.43, 18.02 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 132 + QB ALA 92 OK 100 100 100 100 3.1-3.7 11658=97, 11697/10447=56...(20) QG1 VAL 132 - QB ALA 92 far 10 99 10 - 4.5-5.2 Violated in 0 structures by 0.00 A. Peak 9948 from cnoeabs.peaks (1.96, 1.43, 18.02 ppm; 4.33 A): 1 out of 4 assignments used, quality = 0.72: HB2 LYS 95 + QB ALA 92 OK 72 73 100 98 4.0-4.4 2896/2.1=29, ~2895=26...(24) HB3 LYS 95 - QB ALA 92 far 0 81 0 - 5.0-5.7 HB3 ARG 90 - QB ALA 92 far 0 97 0 - 6.5-6.6 HB3 LYS 86 - QB ALA 92 far 0 99 0 - 9.4-10.1 Violated in 2 structures by 0.00 A. Peak 9949 from cnoeabs.peaks (2.40, 1.43, 18.02 ppm; 4.58 A): 2 out of 3 assignments used, quality = 0.94: HG3 GLU 128 + QB ALA 92 OK 85 85 100 100 1.9-3.1 1.8/10446=96, 10447=77...(15) HG2 GLU 128 + QB ALA 92 OK 57 57 100 100 1.8-3.1 1.8/10447=96...(15) HG3 GLU 97 - QB ALA 92 far 0 87 0 - 7.0-7.6 Violated in 0 structures by 0.00 A. Peak 9951 from cnoeabs.peaks (3.24, 1.43, 18.02 ppm; 5.20 A): 1 out of 7 assignments used, quality = 0.96: HA VAL 93 + QB ALA 92 OK 96 96 100 100 3.6-3.9 2.9/7267=92, 3.2/9970=90...(25) HB3 HIS 10 - QB ALA 92 far 5 90 5 - 3.9-34.7 HB3 HIS 8 - QB ALA 92 far 0 60 0 - 7.1-40.5 HB3 PHE 87 - QB ALA 92 far 0 100 0 - 7.2-8.5 HD3 ARG 135 - QB ALA 92 far 0 100 0 - 7.3-9.9 HB2 PHE 87 - QB ALA 92 far 0 98 0 - 8.3-9.1 HB2 HIS 5 - QB ALA 92 far 0 99 0 - 9.9-48.8 Violated in 0 structures by 0.00 A. Peak 9952 from cnoeabs.peaks (3.46, 1.43, 18.02 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: HA ILE 129 + QB ALA 92 OK 100 100 100 100 3.3-3.8 10478=92, 3.2/9946=64...(18) HA VAL 126 - QB ALA 92 far 7 68 10 - 4.8-5.6 HA VAL 77 - QB ALA 92 far 0 96 0 - 8.5-9.0 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 2.6-3.6 9900=99, 9962/2.1=85...(21) HA SER 130 - QG2 VAL 93 far 0 89 0 - 6.3-6.9 HB2 SER 130 - QG2 VAL 93 far 0 76 0 - 6.9-8.4 HB3 SER 130 - QG2 VAL 93 far 0 71 0 - 7.2-8.1 HA LEU 43 - QG2 VAL 93 far 0 87 0 - 7.8-8.3 HB2 SER 9 - QG2 VAL 93 far 0 100 0 - 8.6-36.8 HB3 SER 9 - QG2 VAL 93 far 0 99 0 - 8.9-35.3 Violated in 0 structures by 0.00 A. Peak 9954 from cnoeabs.peaks (4.06, 0.29, 23.10 ppm; 5.19 A): 3 out of 7 assignments used, quality = 1.00: HA ALA 92 + QG2 VAL 93 OK 98 98 100 100 5.1-5.4 2.1/9970=99, 3.6/2918=90...(29) HA PHE 89 + QG2 VAL 93 OK 60 60 100 100 3.4-4.0 3.1/9924=83...(16) HB2 SER 74 + QG2 VAL 93 OK 38 97 40 99 5.3-6.5 3.9/9576=62, ~9590=55...(9) HB3 SER 74 - QG2 VAL 93 far 10 96 10 - 5.6-6.8 HA LEU 96 - QG2 VAL 93 far 0 92 0 - 6.1-6.4 HA LEU 122 - QG2 VAL 93 far 0 99 0 - 7.3-7.8 HD3 PRO 81 - QG2 VAL 93 far 0 85 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 9955 from cnoeabs.peaks (4.36, 0.29, 23.10 ppm; 5.54 A): 3 out of 4 assignments used, quality = 0.95: HA CYS 73 + QG2 VAL 93 OK 65 65 100 100 2.9-3.7 3.0/9959=96...(28) HA LEU 69 + QG2 VAL 93 OK 65 65 100 100 5.5-6.0 3.0/11407=84...(15) HA CYS 125 + QG2 VAL 93 OK 59 100 60 98 5.9-6.5 10376/9970=80...(10) HA ASP 78 - QG2 VAL 93 far 0 68 0 - 8.7-9.0 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 6 assignments used, quality = 0.99: HG CYS 73 + QG2 VAL 93 OK 99 99 100 100 2.9-3.6 3.4/9959=87, 4.6/9955=63...(19) HE3 LYS 86 - QG2 VAL 93 far 0 60 0 - 7.8-9.3 HE2 LYS 19 - QG2 VAL 93 far 0 63 0 - 7.8-34.8 HB2 CYS 45 - QG2 VAL 93 far 0 96 0 - 7.9-9.2 HE2 LYS 39 - QG2 VAL 93 far 0 100 0 - 9.8-11.0 HD2 ARG 135 - QG2 VAL 93 far 0 99 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 9959 from cnoeabs.peaks (2.74, 0.29, 23.10 ppm; 4.16 A): 1 out of 6 assignments used, quality = 1.00: HB2 CYS 73 + QG2 VAL 93 OK 100 100 100 100 2.7-3.3 9961/2.1=77, 3.0/9955=60...(22) HB2 CYS 125 - QG2 VAL 93 far 0 99 0 - 4.8-6.8 HB2 TYR 76 - QG2 VAL 93 far 0 90 0 - 5.2-6.5 HB3 ASN 13 - QG2 VAL 93 far 0 63 0 - 7.8-32.5 HB2 ASP 131 - QG2 VAL 93 far 0 60 0 - 8.3-8.9 HB3 ASP 78 - QG2 VAL 93 far 0 100 0 - 8.7-9.2 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 3.7-4.9 3.4/9961=100...(13) HB2 CYS 45 - QG1 VAL 93 far 0 85 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 9961 from cnoeabs.peaks (2.75, 0.75, 21.32 ppm; 4.61 A): 1 out of 5 assignments used, quality = 1.00: HB2 CYS 73 + QG1 VAL 93 OK 100 100 100 100 2.3-2.8 9959/2.1=93...(24) HB2 CYS 125 - QG1 VAL 93 far 0 92 0 - 5.5-7.3 HB2 TYR 76 - QG1 VAL 93 far 0 99 0 - 6.3-7.3 HB3 ASN 13 - QG1 VAL 93 far 0 83 0 - 8.1-30.7 HB3 ASP 78 - QG1 VAL 93 far 0 95 0 - 8.3-9.3 Violated in 0 structures by 0.00 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 3.2-3.5 9953/2.1=96, 2793/2.1=94...(14) HB2 SER 9 - QG1 VAL 93 far 0 100 0 - 7.0-34.8 HB3 SER 9 - QG1 VAL 93 far 0 100 0 - 7.2-33.3 HA SER 130 - QG1 VAL 93 far 0 83 0 - 8.7-9.3 HB2 SER 130 - QG1 VAL 93 far 0 83 0 - 9.1-10.8 HB3 SER 130 - QG1 VAL 93 far 0 63 0 - 9.3-10.4 HA LEU 43 - QG1 VAL 93 far 0 81 0 - 9.7-10.2 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 5 assignments used, quality = 0.99: HA SER 94 + QG1 VAL 93 OK 99 99 100 100 2.8-3.0 2.9/7283=89...(24) HA HIS 67 - QG1 VAL 93 far 0 76 0 - 6.8-7.5 HA PHE 87 - QG1 VAL 93 far 0 73 0 - 8.1-8.8 HA SER 99 - QG1 VAL 93 far 0 76 0 - 9.4-9.9 HA ALA 34 - QG1 VAL 93 far 0 90 0 - 9.8-11.3 Violated in 0 structures by 0.00 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 1.7-2.2 10461=100, 10487/3.2=88...(36) QD1 LEU 42 - HA VAL 93 far 0 97 0 - 6.5-7.1 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 1.7-1.9 10487=99, 2.1/11408=56...(40) QD1 LEU 42 + QG2 VAL 93 OK 58 100 60 97 3.8-4.3 11800/11424=34, 9079=28...(19) Violated in 0 structures by 0.00 A. Peak 9970 from cnoeabs.peaks (1.42, 0.29, 23.10 ppm; 4.11 A): 2 out of 6 assignments used, quality = 1.00: QB ALA 92 + QG2 VAL 93 OK 100 100 100 100 3.2-3.6 9945=99, 10491/10487=71...(32) HG LEU 96 + QG2 VAL 93 OK 36 65 55 100 4.4-4.9 9974/2.1=75, 2.1/2922=48...(30) HG2 LYS 86 - QG2 VAL 93 far 0 100 0 - 6.9-7.5 QB ALA 16 - QG2 VAL 93 far 0 83 0 - 7.9-31.0 HG3 LYS 19 - QG2 VAL 93 far 0 85 0 - 8.2-33.0 QB ALA 34 - QG2 VAL 93 far 0 99 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. Peak 9971 from cnoeabs.peaks (2.24, 0.29, 23.10 ppm; 6.21 A): 2 out of 8 assignments used, quality = 1.00: HB3 LEU 96 + QG2 VAL 93 OK 99 99 100 100 3.6-4.1 10492/10487=97...(36) HG2 GLU 97 + QG2 VAL 93 OK 63 63 100 100 4.6-5.2 ~11849=93, ~9972=91...(18) HB3 GLU 97 - QG2 VAL 93 poor 16 65 25 - 6.5-7.4 HG2 GLU 91 - QG2 VAL 93 far 14 90 15 - 5.9-7.5 HB3 GLU 128 - QG2 VAL 93 far 0 87 0 - 7.1-7.8 HG2 GLN 68 - QG2 VAL 93 far 0 96 0 - 8.1-8.8 HB3 GLN 127 - QG2 VAL 93 far 0 89 0 - 8.8-9.4 HB2 GLN 68 - QG2 VAL 93 far 0 73 0 - 9.7-10.2 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 = 1.00: HG3 GLU 97 + QG1 VAL 93 OK 100 100 100 100 3.0-4.0 11849=99, 11358/9963=51...(18) HG3 GLU 128 - QG1 VAL 93 far 0 100 0 - 6.8-8.5 HG2 GLN 101 - QG1 VAL 93 far 0 100 0 - 7.9-11.4 Violated in 0 structures by 0.00 A. Peak 9973 from cnoeabs.peaks (2.23, 0.75, 21.32 ppm; 4.29 A): 2 out of 7 assignments used, quality = 1.00: HB3 LEU 96 + QG1 VAL 93 OK 100 100 100 100 3.6-4.0 3.0/9974=67, 9971/2.1=51...(27) HB3 GLU 97 + QG1 VAL 93 OK 34 87 40 99 4.3-5.1 2.9/11849=67...(16) HG2 GLU 91 - QG1 VAL 93 far 0 99 0 - 7.3-8.6 HG2 GLN 68 - QG1 VAL 93 far 0 100 0 - 8.3-9.0 HB3 GLU 128 - QG1 VAL 93 far 0 98 0 - 9.1-9.8 HB2 GLN 68 - QG1 VAL 93 far 0 92 0 - 9.5-10.2 HB2 GLN 101 - QG1 VAL 93 far 0 63 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 9974 from cnoeabs.peaks (1.42, 0.75, 21.32 ppm; 4.20 A): 1 out of 7 assignments used, quality = 0.76: HG LEU 96 + QG1 VAL 93 OK 76 76 100 100 3.4-3.9 3.0/9973=44...(33) QB ALA 92 - QG1 VAL 93 far 0 98 0 - 4.9-5.1 QB ALA 16 - QG1 VAL 93 far 0 90 0 - 6.0-29.9 HG3 LYS 19 - QG1 VAL 93 far 0 76 0 - 7.4-32.1 HG2 LYS 86 - QG1 VAL 93 far 0 100 0 - 7.6-8.6 QB ALA 34 - QG1 VAL 93 far 0 100 0 - 8.3-10.3 HG3 LYS 24 - QG1 VAL 93 far 0 71 0 - 8.6-23.8 Violated in 0 structures by 0.00 A. Peak 9986 from cnoeabs.peaks (2.75, 0.77, 23.84 ppm; 4.37 A): 1 out of 6 assignments used, quality = 0.97: HB2 CYS 125 + QD1 LEU 96 OK 97 97 100 100 3.7-4.4 1.8/9987=83...(27) HB2 CYS 73 - QD1 LEU 96 far 5 100 5 - 4.9-6.0 HB2 ASP 64 - QD1 LEU 103 far 0 68 0 - 8.7-9.9 HB2 ASP 64 - QD1 LEU 96 far 0 100 0 - 8.8-9.7 HB2 CYS 125 - QD1 LEU 103 far 0 64 0 - 9.1-10.6 HB2 TYR 76 - QD1 LEU 96 far 0 95 0 - 9.1-10.4 Violated in 2 structures by 0.00 A. Peak 9987 from cnoeabs.peaks (3.21, 0.77, 23.84 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: HB3 CYS 125 + QD1 LEU 96 OK 100 100 100 100 3.6-4.0 1.8/9986=84, 9989/2.1=73...(24) HB2 HIS 5 - QD1 LEU 103 far 0 45 0 - 8.1-48.8 HB3 CYS 125 - QD1 LEU 103 far 0 68 0 - 9.1-11.1 Violated in 0 structures by 0.00 A. Peak 10000 from cnoeabs.peaks (0.83, 3.76, 59.92 ppm; 3.56 A): 2 out of 4 assignments used, quality = 0.99: QD1 LEU 70 + HA GLU 97 OK 96 97 100 100 2.9-3.8 2.1/11090=70...(23) QD2 LEU 70 + HA GLU 97 OK 65 65 100 99 2.1-2.7 11090=52, 2.1/11101=36...(25) QD1 LEU 122 - HA GLU 97 poor 16 76 30 71 3.7-6.0 9487/10036=43...(14) QG2 ILE 129 - HA GLU 97 far 0 99 0 - 8.3-9.0 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 1.9-2.3 10036=99, 11115/11090=64...(26) QD1 LEU 42 - HA GLU 97 far 0 65 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 10002 from cnoeabs.peaks (0.84, 2.14, 28.66 ppm; 3.87 A): 2 out of 4 assignments used, quality = 0.98: QD2 LEU 70 + HB2 GLU 97 OK 87 87 100 100 1.9-4.2 11109=80, 2.1/11111=72...(26) QD1 LEU 70 + HB2 GLU 97 OK 83 83 100 100 1.7-3.2 11111=74, 2.1/11109=72...(26) QD1 LEU 98 - HB2 GLU 97 far 7 73 10 - 3.6-7.3 QG2 ILE 129 - HB2 GLU 97 far 0 89 0 - 7.7-9.6 Violated in 0 structures by 0.00 A. Peak 10003 from cnoeabs.peaks (0.83, 2.21, 28.66 ppm; 4.11 A): 3 out of 17 assignments used, quality = 0.99: QD1 LEU 70 + HB3 GLU 97 OK 89 89 100 100 1.8-2.8 11111/1.8=69...(30) QD2 LEU 70 + HB3 GLU 97 OK 81 81 100 100 2.3-3.5 11109/1.8=60, ~11111=54...(33) QG2 ILE 80 + HB2 GLN 82 OK 49 53 95 97 2.8-4.7 11263/1.8=66...(11) QD1 LEU 98 - HB3 GLU 97 poor 14 65 40 53 4.3-6.5 4.8/7359=39, 4.0/3156=22 QD1 LEU 98 - HB3 GLU 102 far 0 46 0 - 5.0-7.0 QD1 LEU 122 - HB3 GLU 97 far 0 60 0 - 5.6-8.3 QD1 LEU 122 - HB3 GLU 102 far 0 42 0 - 5.8-9.7 HG13 ILE 80 - HB2 GLN 82 far 0 70 0 - 6.3-8.7 QG2 ILE 129 - HB3 GLU 128 far 0 65 0 - 6.3-6.8 QG1 VAL 133 - HB2 GLN 82 far 0 77 0 - 6.6-9.4 QG2 ILE 129 - HB3 GLU 97 far 0 93 0 - 8.3-9.7 QD2 LEU 70 - HB3 GLU 102 far 0 59 0 - 8.6-11.1 QG2 ILE 129 - HB2 GLN 82 far 0 67 0 - 8.8-11.6 QD1 LEU 122 - HB3 GLU 128 far 0 38 0 - 8.9-11.5 QG1 VAL 133 - HB3 GLU 128 far 0 75 0 - 9.4-10.7 QD1 LEU 70 - HB3 GLU 102 far 0 66 0 - 9.5-11.6 QD2 LEU 22 - HB2 GLN 82 far 0 75 0 - 9.7-28.0 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 7 assignments used, quality = 0.98: QD1 LEU 70 + HG2 GLU 97 OK 88 89 100 100 1.9-2.5 9489/1.8=53...(28) QD2 LEU 70 + HG2 GLU 97 OK 80 81 100 100 2.0-3.0 9486/1.8=42, ~9489=38...(30) QD1 LEU 122 - HG2 GLU 97 far 0 60 0 - 5.1-8.2 QD1 LEU 98 - HG2 GLU 97 far 0 65 0 - 5.6-7.2 QG2 ILE 129 - HG2 GLU 97 far 0 93 0 - 6.6-7.5 QG2 ILE 32 - HG2 GLU 30 far 0 53 0 - 8.0-8.5 QD2 LEU 22 - HG2 GLU 30 far 0 69 0 - 8.7-21.2 Violated in 0 structures by 0.00 A. Peak 10005 from cnoeabs.peaks (0.83, 2.42, 35.12 ppm; 3.64 A increased from 3.42 A): 2 out of 4 assignments used, quality = 0.98: QD1 LEU 70 + HG3 GLU 97 OK 94 95 100 100 3.2-3.7 9489=88, 2.1/9486=62...(25) QD2 LEU 70 + HG3 GLU 97 OK 71 71 100 100 3.4-3.8 2.1/9489=67, 9486=49...(25) QD1 LEU 122 - HG3 GLU 97 far 0 71 0 - 5.4-8.2 QG2 ILE 129 - HG3 GLU 97 far 0 97 0 - 7.4-8.6 Violated in 0 structures by 0.00 A. Peak 10010 from cnoeabs.peaks (1.40, 2.42, 35.12 ppm; 5.08 A): 1 out of 8 assignments used, quality = 1.00: HG LEU 96 + HG3 GLU 97 OK 100 100 100 100 3.9-4.6 11106/9486=80...(24) HG3 LYS 95 - HG3 GLU 97 far 4 89 5 - 5.6-6.8 HG2 LYS 95 - HG3 GLU 97 far 0 92 0 - 5.7-7.7 HB2 LEU 96 - HG3 GLU 97 far 0 78 0 - 5.7-6.1 QB ALA 15 - HG3 GLU 97 far 0 83 0 - 6.5-34.2 QB ALA 92 - HG3 GLU 97 far 0 65 0 - 7.0-7.6 HB3 LEU 100 - HG3 GLU 97 far 0 76 0 - 7.0-7.8 QB ALA 16 - HG3 GLU 97 far 0 100 0 - 7.4-37.4 Violated in 0 structures by 0.00 A. Peak 10011 from cnoeabs.peaks (0.62, 2.42, 35.12 ppm; 5.43 A): 1 out of 3 assignments used, quality = 0.89: QD1 LEU 100 + HG3 GLU 97 OK 89 89 100 100 5.0-5.3 11107/9486=89...(14) QD1 ILE 129 - HG3 GLU 97 far 12 78 15 - 5.6-6.6 QD1 LEU 42 - HG3 GLU 97 far 0 92 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 10012 from cnoeabs.peaks (0.61, 2.27, 35.12 ppm; 5.56 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 100 + HG2 GLU 97 OK 100 100 100 100 4.2-5.1 10036/3.8=84...(17) QD1 LEU 42 - HG2 GLU 97 far 0 65 0 - 8.2-9.0 Violated in 0 structures by 0.00 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 1.9-3.2 10527=99, 10526/1.8=85...(26) 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 3 assignments used, quality = 1.00: H LEU 100 + HB2 LEU 98 OK 100 100 100 100 4.7-5.6 3.4/3166=94...(29) H GLU 97 + HB2 LEU 98 OK 95 95 100 100 4.3-4.6 3.9/7363=95, 9997=82...(8) H SER 9 - HB2 LEU 98 far 0 100 0 - 7.7-41.6 Violated in 0 structures by 0.00 A. Peak 10021 from cnoeabs.peaks (8.50, 1.71, 26.74 ppm; 5.49 A increased from 4.62 A): 1 out of 4 assignments used, quality = 0.99: H GLU 97 + HG LEU 98 OK 99 100 100 99 4.4-5.6 3.9/3176=84, 9997/3.0=69...(6) H LEU 100 - HG LEU 98 far 10 97 10 - 4.7-7.4 H SER 9 - HG LEU 98 far 0 97 0 - 6.8-43.8 H HIS 4 - HG LEU 48 far 0 71 0 - 9.2-64.9 Violated in 3 structures by 0.01 A. Peak 10022 from cnoeabs.peaks (1.78, 3.76, 63.21 ppm; 5.36 A): 3 out of 4 assignments used, quality = 1.00: HG LEU 100 + HB2 SER 99 OK 99 99 100 99 3.9-5.8 7399/4.5=75, 11495=46...(17) HB3 LEU 122 + HB2 SER 99 OK 97 97 100 100 2.5-5.9 ~11702=55, 3.0/10022=53...(26) HB3 LEU 98 + HB2 SER 99 OK 82 100 85 96 4.8-6.2 ~11480=58, 7378/3.7=52...(10) HB3 LEU 103 - HB2 SER 99 far 10 97 10 - 5.0-6.9 Violated in 0 structures by 0.00 A. Peak 10023 from cnoeabs.peaks (1.76, 4.22, 62.42 ppm; 5.60 A): 2 out of 2 assignments used, quality = 0.94: HG LEU 100 + HA SER 99 OK 84 85 100 99 5.8-6.1 7399/3.6=78...(15) HB3 LEU 98 + HA SER 99 OK 65 65 100 100 4.0-5.2 1.8/11480=96, ~3166=70...(24) Violated in 0 structures by 0.00 A. Peak 10024 from cnoeabs.peaks (3.64, 0.68, 23.54 ppm; 3.43 A): 2 out of 8 assignments used, quality = 1.00: HA3 GLY 66 + QD2 LEU 100 OK 98 100 100 98 1.8-2.1 2.9/9435=41, 3.6/9461=34...(24) HA2 GLY 66 + QD2 LEU 100 OK 96 99 100 97 3.3-3.6 2.9/9435=41, 3.6/9461=34...(19) HD2 PRO 58 - QD2 LEU 62 far 0 51 0 - 5.1-5.7 HA3 GLY 66 - QD2 LEU 62 far 0 66 0 - 5.8-6.1 HA2 GLY 66 - QD2 LEU 62 far 0 63 0 - 6.0-6.3 HD2 PRO 56 - QD2 LEU 62 far 0 47 0 - 7.4-8.2 HD3 PRO 56 - QD2 LEU 62 far 0 58 0 - 8.0-8.7 HD2 PRO 58 - QD2 LEU 100 far 0 87 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 10025 from cnoeabs.peaks (2.23, 0.68, 23.54 ppm; 4.79 A increased from 4.26 A): 1 out of 12 assignments used, quality = 0.86: HB3 GLN 104 + QD2 LEU 100 OK 86 99 100 88 4.3-4.6 11436/10974=60...(7) HG2 GLN 68 - QD2 LEU 100 far 0 100 0 - 5.9-7.8 HB3 GLU 97 - QD2 LEU 100 far 0 93 0 - 6.1-6.7 HB2 GLN 68 - QD2 LEU 100 far 0 97 0 - 6.3-7.9 HB2 GLN 101 - QD2 LEU 100 far 0 73 0 - 6.4-7.0 HB3 LEU 96 - QD2 LEU 100 far 0 99 0 - 6.7-7.4 HB3 GLU 102 - QD2 LEU 100 far 0 100 0 - 6.8-8.3 HB3 GLN 127 - QD2 LEU 62 far 0 66 0 - 7.8-9.2 HG2 GLN 68 - QD2 LEU 62 far 0 66 0 - 8.0-9.5 HB2 GLN 68 - QD2 LEU 62 far 0 61 0 - 8.7-10.6 HB3 GLN 104 - QD2 LEU 62 far 0 63 0 - 8.8-9.2 HB3 GLN 127 - QD2 LEU 100 far 0 100 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 10028 from cnoeabs.peaks (2.20, 3.96, 57.71 ppm; 5.86 A increased from 5.52 A): 1 out of 4 assignments used, quality = 0.72: HB3 GLN 104 + HA LEU 100 OK 72 76 100 95 5.4-5.8 10025/3258=53...(8) HB2 GLN 101 - HA LEU 100 far 5 99 5 - 6.3-6.6 HB2 GLN 104 - HA LEU 100 far 0 97 0 - 6.7-7.0 HB3 GLU 97 - HA LEU 100 far 0 89 0 - 6.9-7.5 Violated in 0 structures by 0.00 A. Peak 10029 from cnoeabs.peaks (2.22, 1.82, 41.28 ppm; 5.56 A): 3 out of 9 assignments used, quality = 1.00: HB3 GLU 97 + HB2 LEU 100 OK 99 99 100 100 4.0-4.6 3.0/3115=93...(22) HB2 GLN 101 + HB2 LEU 100 OK 90 90 100 100 5.0-6.0 4.0/7411=81, ~10048=61...(10) HB3 GLN 127 + HB3 LEU 123 OK 77 77 100 100 4.6-5.9 ~10436=66, 11674/3.2=59...(25) HB3 GLU 102 - HB2 LEU 100 far 0 99 0 - 6.2-8.4 HB3 LEU 96 - HB2 LEU 100 far 0 93 0 - 6.6-7.4 HB3 GLN 104 - HB2 LEU 100 far 0 100 0 - 6.7-7.5 HB3 LEU 96 - HB3 LEU 123 far 0 67 0 - 9.2-10.2 HG2 GLN 68 - HB2 LEU 100 far 0 98 0 - 9.4-11.3 HB3 GLU 128 - HB3 LEU 123 far 0 77 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 10030 from cnoeabs.peaks (2.21, 0.60, 25.62 ppm; 4.74 A): 2 out of 9 assignments used, quality = 1.00: HB3 GLU 97 + QD1 LEU 100 OK 100 100 100 100 3.5-4.4 3.0/10036=79...(26) HB3 LEU 96 + QD1 LEU 100 OK 78 78 100 99 4.8-5.3 3.0/11918=64...(22) HG2 GLN 68 - QD1 LEU 100 far 0 89 0 - 5.5-7.0 HB2 GLN 101 - QD1 LEU 100 far 0 99 0 - 6.0-7.0 HB3 GLN 104 - QD1 LEU 100 far 0 99 0 - 6.1-6.8 HB2 GLN 68 - QD1 LEU 100 far 0 100 0 - 6.2-7.3 HB2 GLN 104 - QD1 LEU 100 far 0 71 0 - 7.3-7.9 HB3 GLU 102 - QD1 LEU 100 far 0 92 0 - 7.3-9.1 HB3 GLN 127 - QD1 LEU 100 far 0 96 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 10033 from cnoeabs.peaks (2.41, 0.68, 23.54 ppm; 4.53 A): 1 out of 6 assignments used, quality = 0.64: HG3 GLN 61 + QD2 LEU 62 OK 64 66 100 96 2.8-4.1 10936/9319=64...(7) HG3 GLU 55 - QD2 LEU 62 far 0 54 0 - 5.4-7.9 HG2 GLN 101 - QD2 LEU 100 far 0 97 0 - 5.8-7.6 HG3 GLN 61 - QD2 LEU 100 far 0 100 0 - 7.0-8.1 HG3 GLU 97 - QD2 LEU 100 far 0 99 0 - 7.4-7.8 HB3 PRO 58 - QD2 LEU 62 far 0 66 0 - 7.5-7.9 Violated in 0 structures by 0.00 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 4.1-4.7 9386/2.1=94, 10958=82...(25) HB2 HIS 67 + QD1 LEU 100 OK 69 71 100 98 4.0-4.8 3.0/10037=66...(12) HB3 TYR 72 - QD1 LEU 100 far 0 65 0 - 8.3-9.9 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 98 98 100 100 1.9-2.7 3.6/11037=47...(23) HA2 GLY 66 + QD1 LEU 100 OK 93 93 100 100 2.7-3.2 3.6/11037=47...(20) 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 3 assignments used, quality = 0.96: HA GLU 97 + QD1 LEU 100 OK 96 96 100 100 1.9-2.3 10001=93, 11090/11115=65...(26) HB2 SER 99 - QD1 LEU 100 far 0 92 0 - 5.1-6.3 HA ARG 90 - QD1 LEU 100 far 0 83 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 10037 from cnoeabs.peaks (4.21, 0.60, 25.62 ppm; 4.89 A): 1 out of 4 assignments used, quality = 0.99: HA HIS 67 + QD1 LEU 100 OK 99 99 100 100 2.1-2.6 9463=98, 11014/2.1=77...(19) HA SER 99 - QD1 LEU 100 far 0 99 0 - 6.3-6.6 HA SER 94 - QD1 LEU 100 far 0 76 0 - 6.7-7.2 HA VAL 105 - QD1 LEU 100 far 0 85 0 - 9.9-10.5 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 3 assignments used, quality = 0.64: HA LEU 53 + QD2 LEU 62 OK 64 64 100 99 1.9-3.6 9252=81, 1679/10338=58...(11) HA LEU 53 - QD2 LEU 100 far 0 99 0 - 8.0-10.0 HA VAL 105 - QD2 LEU 100 far 0 100 0 - 8.4-8.7 Violated in 0 structures by 0.00 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 4.9-5.5 10036/3266=92...(15) HB2 SER 99 + HA LEU 100 OK 85 85 100 100 3.8-5.6 ~7395=83, ~3219=81...(11) 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 2 assignments used, quality = 0.97: H HIS 67 + QD1 LEU 100 OK 97 97 100 100 2.9-3.3 11037=94, 10990/2.1=90...(17) H SER 50 - QD1 LEU 100 far 0 95 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 10043 from cnoeabs.peaks (8.27, 0.60, 25.62 ppm; 5.29 A): 3 out of 6 assignments used, quality = 1.00: H LEU 96 + QD1 LEU 100 OK 99 100 100 99 5.6-5.9 11083/11115=69...(17) H SER 99 + QD1 LEU 100 OK 89 89 100 100 4.8-5.6 3.4/7401=82, ~7399=60...(24) H LEU 69 + QD1 LEU 100 OK 73 73 100 99 4.4-4.7 3.6/11094=75...(10) H VAL 126 - QD1 LEU 100 far 0 90 0 - 6.2-6.9 H LEU 123 - QD1 LEU 100 far 0 92 0 - 6.5-7.8 H LEU 49 - QD1 LEU 100 far 0 63 0 - 7.5-8.2 Violated in 0 structures by 0.00 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 1.9-2.3 9472=82, 11485/2.1=76...(13) QD TYR 72 - QD1 LEU 100 far 0 100 0 - 7.4-8.0 Violated in 0 structures by 0.00 A. Peak 10045 from cnoeabs.peaks (8.90, 0.60, 25.62 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: H GLY 66 + QD1 LEU 100 OK 100 100 100 100 3.8-4.4 9435/2.1=92, 11032=72...(16) Violated in 0 structures by 0.00 A. Peak 10046 from cnoeabs.peaks (7.90, 3.96, 57.71 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: H GLN 104 + HA LEU 100 OK 99 99 100 100 3.6-4.0 7485/7463=97...(12) H SER 106 + HA LEU 100 OK 59 100 85 70 7.1-7.5 11450/7463=42...(3) HD22 ASN 116 - HA LEU 100 far 0 93 0 - 7.9-8.7 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 9 assignments used, quality = 0.98: HB3 LEU 100 + HA GLN 101 OK 98 98 100 100 3.8-4.0 7412/2.9=77, ~7411=58...(19) HG2 LYS 19 - HA CYS 79 far 0 55 0 - 7.2-30.5 HG2 LYS 24 - HA CYS 79 far 0 80 0 - 7.6-22.6 QB ALA 15 - HA CYS 79 far 0 82 0 - 7.6-29.6 HG3 LYS 26 - HA CYS 79 far 0 82 0 - 8.6-15.2 QB ALA 15 - HA GLN 101 far 0 99 0 - 8.9-34.0 HG LEU 96 - HA GLN 101 far 0 98 0 - 9.0-9.8 QB ALA 16 - HA GLN 101 far 0 90 0 - 9.1-37.8 QB ALA 108 - HA GLN 101 far 0 100 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 10049 from cnoeabs.peaks (0.88, 2.30, 27.91 ppm; 5.29 A increased from 4.70 A): 2 out of 6 assignments used, quality = 0.91: QD1 LEU 98 + HB3 GLN 101 OK 85 85 100 100 4.7-5.5 4.0/3157=74...(12) QD2 LEU 98 + HB3 GLN 101 OK 40 100 40 100 4.4-7.4 4.0/3157=74, ~10056=53...(15) QD2 LEU 70 - HB3 GLN 101 far 0 71 0 - 6.3-8.2 QG1 VAL 118 - HB3 GLN 101 far 0 87 0 - 6.4-7.4 QG2 VAL 63 - HB3 GLN 101 far 0 60 0 - 7.3-7.9 QG1 VAL 20 - HB3 GLN 101 far 0 68 0 - 9.9-32.1 Violated in 1 structures by 0.00 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 4.1-5.5 11016/3.0=95...(19) Violated in 0 structures by 0.00 A. Peak 10051 from cnoeabs.peaks (1.79, 2.56, 33.80 ppm; 5.15 A): 1 out of 4 assignments used, quality = 1.00: HB3 LEU 98 + HG3 GLN 101 OK 100 100 100 100 4.1-5.2 1.8/10052=65...(22) HB3 LEU 103 - HG3 GLN 101 far 0 99 0 - 6.2-6.8 HG LEU 100 - HG3 GLN 101 far 0 98 0 - 6.4-7.4 HB3 LEU 122 - HG3 GLN 101 far 0 99 0 - 7.5-11.1 Violated in 1 structures by 0.00 A. Peak 10052 from cnoeabs.peaks (1.66, 2.56, 33.80 ppm; 5.82 A): 1 out of 1 assignment used, quality = 0.99: HB2 LEU 98 + HG3 GLN 101 OK 99 99 100 100 5.1-6.2 1.8/10051=95...(21) Violated in 3 structures by 0.02 A. Peak 10053 from cnoeabs.peaks (1.38, 2.56, 33.80 ppm; 6.18 A): 1 out of 6 assignments used, quality = 1.00: HB3 LEU 100 + HG3 GLN 101 OK 100 100 100 100 5.1-5.8 7412/3314=93...(9) QB ALA 16 - HG3 GLN 101 far 0 63 0 - 7.7-39.1 HG LEU 96 - HG3 GLN 101 far 0 81 0 - 7.9-9.6 QB ALA 15 - HG3 GLN 101 far 0 99 0 - 8.4-35.4 HG3 LYS 95 - HG3 GLN 101 far 0 98 0 - 9.5-10.8 HB2 LEU 96 - HG3 GLN 101 far 0 100 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 10054 from cnoeabs.peaks (0.99, 2.56, 33.80 ppm; 4.92 A increased from 4.37 A): 1 out of 3 assignments used, quality = 0.95: QG2 VAL 105 + HG3 GLN 101 OK 95 96 100 100 4.4-5.1 10065/7451=65, ~11503=61...(16) QG2 VAL 118 - HG3 GLN 101 far 4 87 5 - 5.3-6.7 QG2 VAL 126 - HG3 GLN 101 far 0 63 0 - 9.8-10.7 Violated in 1 structures by 0.01 A. Peak 10055 from cnoeabs.peaks (0.87, 2.56, 33.80 ppm; 4.35 A): 2 out of 4 assignments used, quality = 0.97: QD1 LEU 98 + HG3 GLN 101 OK 96 97 100 99 3.5-4.3 10059/7439=66...(11) QD2 LEU 98 + HG3 GLN 101 OK 29 100 30 98 4.1-6.2 3.1/10051=49, ~10056=45...(14) QG1 VAL 118 - HG3 GLN 101 far 0 68 0 - 5.1-6.2 QD2 LEU 70 - HG3 GLN 101 far 0 89 0 - 6.7-8.3 Violated in 0 structures by 0.00 A. Peak 10056 from cnoeabs.peaks (0.88, 2.42, 33.80 ppm; 4.51 A): 2 out of 11 assignments used, quality = 0.95: QD1 LEU 98 + HG2 GLN 101 OK 85 85 100 100 3.6-4.9 10055/1.8=65...(14) QG2 VAL 57 + HG3 GLN 61 OK 68 68 100 100 3.0-4.6 10938/1.8=89...(24) QD2 LEU 98 - HG2 GLN 101 far 5 100 5 - 3.7-7.1 QD2 LEU 48 - HG3 GLN 61 far 0 51 0 - 5.3-7.7 QD2 LEU 70 - HG2 GLN 101 far 0 71 0 - 5.7-9.5 QG2 VAL 63 - HG3 GLN 61 far 0 46 0 - 6.0-6.5 QG1 VAL 118 - HG2 GLN 101 far 0 87 0 - 6.0-7.0 QG2 VAL 63 - HG2 GLN 101 far 0 60 0 - 7.6-8.6 QD2 LEU 69 - HG3 GLN 61 far 0 79 0 - 8.6-9.4 QG1 VAL 118 - HG3 GLN 61 far 0 70 0 - 9.2-10.5 QD2 LEU 123 - HG3 GLN 61 far 0 87 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 10069 from cnoeabs.peaks (2.07, 0.78, 24.12 ppm; 3.73 A): 2 out of 15 assignments used, quality = 1.00: HB VAL 118 + QD1 LEU 103 OK 96 96 100 100 1.9-2.7 11548=93, 2.1/10265=74...(33) HB2 LEU 62 + QD1 LEU 103 OK 89 96 95 98 3.3-4.5 ~11823=47, 9395=45...(18) HB2 GLU 102 - QD1 LEU 103 far 0 95 0 - 5.3-7.0 HG2 PRO 117 - QD1 LEU 103 far 0 92 0 - 5.7-6.8 HB2 LEU 62 - QD1 LEU 96 far 0 62 0 - 6.7-8.1 HG3 PRO 117 - QD1 LEU 103 far 0 87 0 - 7.0-8.0 HB2 GLU 128 - QD1 LEU 96 far 0 62 0 - 7.1-7.9 HB VAL 57 - QD1 LEU 103 far 0 81 0 - 7.3-8.4 HB2 GLN 61 - QD1 LEU 103 far 0 60 0 - 7.8-9.4 HB VAL 118 - QD1 LEU 96 far 0 62 0 - 8.2-8.9 HB2 GLU 102 - QD1 LEU 96 far 0 61 0 - 8.2-10.3 QE MET 11 - QD1 LEU 96 far 0 36 0 - 8.4-30.2 HB2 GLN 127 - QD1 LEU 96 far 0 62 0 - 8.5-8.8 HG3 PRO 58 - QD1 LEU 103 far 0 100 0 - 8.5-9.9 HG3 PRO 113 - QD1 LEU 103 far 0 99 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 10081 from cnoeabs.peaks (1.38, 4.19, 62.60 ppm; 5.63 A increased from 5.30 A): 1 out of 5 assignments used, quality = 0.95: QB ALA 108 + HA VAL 105 OK 95 100 100 95 4.3-5.7 2.9/11454=74...(5) QB ALA 109 - HA VAL 105 far 0 100 0 - 8.4-8.9 HB3 LEU 100 - HA VAL 105 far 0 100 0 - 9.0-9.6 QB ALA 110 - HA VAL 105 far 0 100 0 - 9.5-11.4 QB ALA 15 - HA VAL 105 far 0 100 0 - 9.6-36.8 Violated in 1 structures by 0.00 A. Peak 10082 from cnoeabs.peaks (1.39, 2.26, 31.98 ppm; 5.08 A): 0 out of 5 assignments used, quality = 0.00: QB ALA 108 - HB VAL 105 far 5 100 5 - 5.7-6.5 QB ALA 109 - HB3 PRO 113 far 0 85 0 - 7.3-8.5 QB ALA 109 - HB VAL 105 far 0 100 0 - 9.1-10.2 HB3 LEU 100 - HB VAL 105 far 0 97 0 - 9.4-10.0 QB ALA 15 - HB VAL 105 far 0 99 0 - 9.7-37.1 Violated in 20 structures by 0.81 A. Peak 10083 from cnoeabs.peaks (2.54, 1.00, 20.13 ppm; 4.42 A increased from 3.93 A): 2 out of 2 assignments used, quality = 0.99: HG3 GLU 102 + QG2 VAL 105 OK 93 93 100 99 3.8-4.4 3.7/10086=74...(8) HG3 GLN 101 + QG2 VAL 105 OK 80 85 95 99 4.4-5.1 10054=52, ~11503=50...(16) Violated in 0 structures by 0.00 A. Peak 10084 from cnoeabs.peaks (1.38, 1.00, 20.13 ppm; 3.78 A): 0 out of 6 assignments used, quality = 0.00: QB ALA 108 - QG2 VAL 105 far 0 100 0 - 5.3-5.8 HB3 LEU 100 - QG2 VAL 105 far 0 100 0 - 6.5-6.8 QB ALA 109 - QG2 VAL 105 far 0 100 0 - 7.0-7.9 QB ALA 15 - QG2 VAL 105 far 0 100 0 - 8.1-31.1 QB ALA 16 - QG2 VAL 105 far 0 81 0 - 9.0-34.4 QB ALA 110 - QG2 VAL 105 far 0 100 0 - 9.6-10.9 Violated in 20 structures by 1.42 A. Peak 10085 from cnoeabs.peaks (2.40, 0.96, 20.99 ppm; 3.94 A increased from 3.71 A): 2 out of 3 assignments used, quality = 0.90: HG2 GLN 104 + QG1 VAL 105 OK 71 76 100 93 2.5-4.1 11529/2.1=57...(9) HG2 GLN 101 + QG1 VAL 105 OK 65 81 85 95 4.1-5.8 11503=40, ~10054=36...(14) HB3 PRO 58 - QG1 VAL 112 far 0 65 0 - 7.4-8.7 Violated in 0 structures by 0.00 A. Peak 10086 from cnoeabs.peaks (4.04, 1.00, 20.13 ppm; 3.23 A): 1 out of 3 assignments used, quality = 0.98: HA GLU 102 + QG2 VAL 105 OK 98 99 100 99 1.7-1.9 11508=71, 2.9/10065=41...(12) HA LEU 103 - QG2 VAL 105 far 3 65 5 - 3.8-4.2 HA LEU 119 - QG2 VAL 105 far 0 87 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 10090 from cnoeabs.peaks (3.95, 0.96, 20.99 ppm; 4.76 A): 1 out of 15 assignments used, quality = 0.62: HD3 PRO 113 + QG1 VAL 112 OK 62 62 100 100 2.9-3.0 4.4=100 HA2 GLY 111 - QG1 VAL 112 far 0 53 0 - 5.5-5.9 HA3 GLY 111 - QG1 VAL 112 far 0 68 0 - 5.5-5.8 HB3 SER 107 - QG1 VAL 105 far 0 97 0 - 5.8-7.5 HB2 SER 106 - QG1 VAL 105 far 0 89 0 - 5.8-6.5 HB2 SER 107 - QG1 VAL 105 far 0 65 0 - 5.8-7.6 HB3 SER 106 - QG1 VAL 105 far 0 60 0 - 5.9-6.6 HA LEU 100 - QG1 VAL 105 far 0 96 0 - 6.1-7.0 HB2 SER 107 - QG1 VAL 112 far 0 38 0 - 7.1-9.5 HD3 PRO 117 - QG1 VAL 112 far 0 69 0 - 7.2-8.4 HB3 SER 107 - QG1 VAL 112 far 0 63 0 - 7.2-10.3 HB2 SER 106 - QG1 VAL 112 far 0 55 0 - 8.7-11.1 HB3 SER 106 - QG1 VAL 112 far 0 34 0 - 8.8-11.4 HA3 GLY 14 - QG1 VAL 105 far 0 57 0 - 9.6-34.1 HD3 PRO 117 - QG1 VAL 105 far 0 100 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 10091 from cnoeabs.peaks (2.25, 3.98, 63.90 ppm; 5.80 A increased from 5.46 A): 4 out of 9 assignments used, quality = 0.99: HB VAL 105 + HB3 SER 106 OK 95 95 100 100 5.7-6.1 7537/4.0=85, ~11466=71...(16) HB VAL 105 + HB2 SER 106 OK 78 78 100 100 5.7-5.9 7537/4.0=85, ~11466=71...(15) HB3 GLU 102 + HB2 SER 106 OK 32 59 100 54 3.3-6.4 11606/11854=11...(11) HB3 GLU 102 + HB3 SER 106 OK 21 76 65 42 4.1-6.9 10093/3.0=10...(9) HB3 GLN 104 - HB3 SER 107 poor 18 20 90 - 4.2-6.5 HB3 GLU 102 - HB3 SER 107 far 0 29 0 - 6.5-9.8 HB VAL 105 - HB3 SER 107 far 0 40 0 - 6.6-8.5 HB3 GLN 104 - HB3 SER 106 far 0 57 0 - 8.1-10.0 HB3 GLN 104 - HB2 SER 106 far 0 44 0 - 8.1-9.6 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 2 assignments used, quality = 0.97: HB VAL 105 + HA SER 106 OK 97 97 100 100 4.2-4.6 2.1/11466=88...(15) HB3 GLN 101 - HA SER 106 far 0 73 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 10094 from cnoeabs.peaks (1.39, 3.98, 63.90 ppm; 4.20 A): 1 out of 12 assignments used, quality = 0.27: QB ALA 109 + HB3 SER 107 OK 27 46 70 84 3.5-5.7 10852/3.0=57...(11) QB ALA 108 - HB2 SER 106 far 13 86 15 - 4.7-5.5 QB ALA 108 - HB3 SER 107 poor 11 46 25 - 4.3-5.8 QB ALA 108 - HB3 SER 106 far 0 100 0 - 4.9-5.5 QB ALA 109 - HB2 SER 106 far 0 87 0 - 5.1-7.1 QB ALA 109 - HB3 SER 106 far 0 100 0 - 5.1-7.7 QB ALA 110 - HB3 SER 107 far 0 45 0 - 6.5-9.0 HB3 LEU 100 - HB3 SER 107 far 0 43 0 - 7.9-10.3 QB ALA 110 - HB2 SER 106 far 0 86 0 - 9.0-11.4 QB ALA 110 - HB3 SER 106 far 0 100 0 - 9.2-11.7 HB3 LEU 100 - HB2 SER 106 far 0 83 0 - 9.6-11.9 HB3 LEU 100 - HB3 SER 106 far 0 99 0 - 10.0-11.6 Violated in 17 structures by 0.59 A. Peak 10095 from cnoeabs.peaks (1.00, 3.98, 63.90 ppm; 3.89 A): 4 out of 6 assignments used, quality = 1.00: QG2 VAL 105 + HB3 SER 106 OK 98 100 100 98 3.4-4.1 11466/3.0=57...(12) QG2 VAL 105 + HB2 SER 106 OK 84 86 100 98 3.4-4.0 11466/3.0=57...(14) QG2 VAL 118 + HB2 SER 106 OK 53 83 80 81 3.1-5.6 10270=31, 10265/10096=26...(12) QG2 VAL 118 + HB3 SER 106 OK 30 98 50 61 3.6-5.2 10270/1.8=24, 10270=14...(9) QG2 VAL 118 - HB3 SER 107 poor 11 43 25 - 3.9-6.8 QG2 VAL 105 - HB3 SER 107 far 0 46 0 - 5.1-6.6 Violated in 0 structures by 0.00 A. Peak 10096 from cnoeabs.peaks (0.78, 3.98, 63.90 ppm; 4.33 A): 2 out of 15 assignments used, quality = 0.74: QD1 LEU 103 + HB2 SER 106 OK 56 85 80 83 4.0-5.6 3.2/11536=38...(14) QD1 LEU 103 + HB3 SER 107 OK 40 44 100 89 1.8-3.8 11486/4.7=33...(19) QD1 LEU 103 - HB3 SER 106 poor 20 99 20 - 4.1-6.2 QG1 VAL 63 - HB3 SER 107 poor 9 44 20 - 4.5-6.5 QD2 LEU 119 - HB3 SER 107 far 3 26 10 - 4.7-6.3 QD2 LEU 122 - HB3 SER 107 far 0 41 0 - 6.2-9.7 QD2 LEU 119 - HB3 SER 106 far 0 71 0 - 6.8-9.7 QD2 LEU 122 - HB2 SER 106 far 0 80 0 - 7.0-10.8 QD2 LEU 119 - HB2 SER 106 far 0 55 0 - 7.4-8.6 QD2 LEU 122 - HB3 SER 106 far 0 97 0 - 7.5-10.3 QG1 VAL 63 - HB2 SER 106 far 0 84 0 - 7.9-9.3 QG1 VAL 63 - HB3 SER 106 far 0 99 0 - 8.0-10.1 QD1 LEU 53 - HB3 SER 107 far 0 35 0 - 8.7-11.4 QD2 LEU 49 - HB3 SER 107 far 0 31 0 - 8.8-10.4 QD1 LEU 96 - HB3 SER 107 far 0 45 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 10104 from cnoeabs.peaks (1.40, 3.96, 63.62 ppm; 5.43 A increased from 4.58 A): 4 out of 12 assignments used, quality = 1.00: QB ALA 109 + HB3 SER 107 OK 96 97 100 99 3.5-5.7 10852/3.0=93...(11) QB ALA 108 + HB3 SER 107 OK 92 92 100 100 4.3-5.8 2.9/7557=93...(8) QB ALA 108 + HB2 SER 106 OK 64 65 100 99 4.7-5.5 11532/3.0=86...(6) QB ALA 108 + HB3 SER 106 OK 37 38 100 99 4.9-5.5 11532/3.0=86...(5) QB ALA 109 - HB2 SER 106 poor 14 70 20 - 5.1-7.1 QB ALA 109 - HB3 SER 106 poor 8 41 20 - 5.1-7.7 QB ALA 110 - HB3 SER 107 far 0 89 0 - 6.5-9.0 HB3 LEU 100 - HB3 SER 107 far 0 83 0 - 7.9-10.3 QB ALA 110 - HB2 SER 106 far 0 62 0 - 9.0-11.4 QB ALA 110 - HB3 SER 106 far 0 36 0 - 9.2-11.7 HB3 LEU 100 - HB2 SER 106 far 0 56 0 - 9.6-11.9 HB3 LEU 100 - HB3 SER 106 far 0 32 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 10105 from cnoeabs.peaks (1.01, 3.96, 63.62 ppm; 3.90 A): 4 out of 6 assignments used, quality = 0.93: QG2 VAL 105 + HB2 SER 106 OK 74 76 100 98 3.4-4.0 11466/3.0=56, 11531=51...(13) QG2 VAL 105 + HB3 SER 106 OK 44 45 100 98 3.4-4.1 11466/3.0=56...(12) QG2 VAL 118 + HB2 SER 106 OK 42 76 80 69 3.1-5.6 10270=21, 10265/10106=16...(13) QG2 VAL 118 + HB3 SER 107 OK 20 100 25 82 3.9-6.8 10265/10106=40...(11) QG2 VAL 118 - HB3 SER 106 poor 13 46 50 58 3.6-5.2 10270/1.8=25, ~11854=14...(10) QG2 VAL 105 - HB3 SER 107 far 0 100 0 - 5.1-6.6 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 18 assignments used, quality = 0.96: QD1 LEU 103 + HB3 SER 107 OK 93 100 100 93 1.8-3.8 11486/7557=41...(21) QD1 LEU 103 + HB2 SER 106 OK 51 76 80 83 4.0-5.6 11469/4.0=40...(14) QG1 VAL 63 - HB3 SER 107 poor 20 100 20 - 4.5-6.5 QD2 LEU 119 - HB3 SER 107 poor 16 78 20 - 4.7-6.3 QD1 LEU 103 - HB3 SER 106 poor 9 46 20 - 4.1-6.2 QD2 LEU 122 - HB3 SER 107 far 0 99 0 - 6.2-9.7 QD1 LEU 122 - HB3 SER 107 far 0 63 0 - 6.3-9.6 QD2 LEU 119 - HB3 SER 106 far 0 30 0 - 6.8-9.7 QD2 LEU 122 - HB2 SER 106 far 0 73 0 - 7.0-10.8 QD2 LEU 119 - HB2 SER 106 far 0 53 0 - 7.4-8.6 QD2 LEU 122 - HB3 SER 106 far 0 43 0 - 7.5-10.3 QG1 VAL 63 - HB2 SER 106 far 0 76 0 - 7.9-9.3 QG1 VAL 63 - HB3 SER 106 far 0 45 0 - 8.0-10.1 QD1 LEU 122 - HB2 SER 106 far 0 41 0 - 8.1-10.7 QD1 LEU 122 - HB3 SER 106 far 0 23 0 - 8.1-11.6 QD1 LEU 53 - HB3 SER 107 far 0 92 0 - 8.7-11.4 QD2 LEU 49 - HB3 SER 107 far 0 87 0 - 8.8-10.4 QD1 LEU 96 - HB3 SER 107 far 0 99 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 10107 from cnoeabs.peaks (1.82, 3.92, 63.62 ppm; 5.21 A increased from 4.64 A): 2 out of 7 assignments used, quality = 0.96: HB2 LYS 36 + HB2 SER 33 OK 81 86 95 100 4.8-6.4 10856/1.8=87...(13) HB ILE 32 + HB2 SER 33 OK 78 86 90 100 5.6-6.0 6361/6367=91, ~10862=64...(17) HB3 ARG 23 - HB2 SER 33 far 0 87 0 - 5.9-18.8 HB3 LYS 26 - HB2 SER 33 far 0 87 0 - 6.9-10.6 HB3 LYS 31 - HB2 SER 33 far 0 81 0 - 7.2-8.3 HB3 LEU 122 - HB2 SER 107 far 0 60 0 - 9.1-11.4 HB2 LEU 100 - HB2 SER 107 far 0 100 0 - 9.3-11.8 Violated in 1 structures by 0.01 A. Peak 10109 from cnoeabs.peaks (1.40, 3.92, 63.62 ppm; 5.18 A increased from 4.14 A): 3 out of 12 assignments used, quality = 1.00: QB ALA 109 + HB2 SER 107 OK 90 90 100 100 3.1-5.0 10852/3.0=89...(11) QB ALA 108 + HB2 SER 107 OK 83 83 100 100 4.2-5.6 2.9/7556=84, ~7557=66...(9) QB ALA 34 + HB2 SER 33 OK 77 77 100 100 4.8-5.6 10784/1.8=96...(8) HG3 LYS 26 - HB2 SER 33 far 3 60 5 - 5.3-11.7 HG2 LYS 36 - HB2 SER 33 far 3 58 5 - 5.5-6.7 HG2 LYS 26 - HB2 SER 33 far 2 49 5 - 5.7-11.3 HG3 LYS 31 - HB2 SER 33 lone 1 77 65 1 4.8-8.1 QB ALA 110 - HB2 SER 107 far 0 78 0 - 6.0-8.8 QB ALA 29 - HB2 SER 33 far 0 58 0 - 7.1-8.5 HB3 LEU 100 - HB2 SER 107 far 0 71 0 - 8.6-10.8 QB ALA 15 - HB2 SER 33 far 0 62 0 - 8.8-24.1 QB ALA 28 - HB2 SER 33 far 0 64 0 - 9.2-11.0 Violated in 0 structures by 0.00 A. Peak 10110 from cnoeabs.peaks (0.96, 3.92, 63.62 ppm; 5.39 A): 1 out of 6 assignments used, quality = 0.21: QD1 LEU 119 + HB2 SER 107 OK 21 87 30 80 5.3-7.3 2.1/10111=65...(5) QG1 VAL 105 - HB2 SER 107 far 10 100 10 - 5.8-7.6 QG2 ILE 37 - HB2 SER 33 far 0 58 0 - 6.7-7.2 QG1 VAL 112 - HB2 SER 107 far 0 99 0 - 7.1-9.5 QD2 LEU 53 - HB2 SER 107 far 0 99 0 - 7.9-9.8 QG1 VAL 57 - HB2 SER 107 far 0 97 0 - 8.9-11.2 Violated in 19 structures by 0.92 A. Peak 10111 from cnoeabs.peaks (0.81, 3.92, 63.62 ppm; 6.00 A increased from 5.34 A): 1 out of 6 assignments used, quality = 0.90: QD2 LEU 119 + HB2 SER 107 OK 90 95 100 96 4.5-6.3 2.1/10110=91, ~11623=17...(8) QD2 LEU 122 - HB2 SER 107 far 3 65 5 - 6.0-10.1 QD1 LEU 122 - HB2 SER 107 far 0 99 0 - 7.0-10.2 QD1 LEU 53 - HB2 SER 107 far 0 83 0 - 9.0-11.3 QD2 LEU 49 - HB2 SER 107 far 0 89 0 - 9.1-10.7 QD2 LEU 22 - HB2 SER 33 far 0 49 0 - 9.2-20.3 Violated in 3 structures by 0.03 A. Peak 10112 from cnoeabs.peaks (1.39, 4.39, 58.42 ppm; 4.82 A): 4 out of 17 assignments used, quality = 1.00: QB ALA 108 + HA SER 107 OK 98 98 100 100 4.3-4.8 7559/3.6=87...(15) QB ALA 109 + HA SER 107 OK 95 100 100 95 3.4-3.8 10094/3.0=75...(11) HG2 LYS 36 + HA SER 33 OK 80 80 100 100 4.3-4.5 3.0/10774=74...(17) QB ALA 34 + HA SER 33 OK 57 57 100 100 4.9-5.0 5.0=89, 10784/3.0=75...(13) QB ALA 29 - HA SER 33 far 0 80 0 - 5.6-7.6 HG3 LYS 31 - HA SER 33 far 0 89 0 - 5.8-9.2 HG3 LYS 95 - HA SER 9 far 0 92 0 - 6.3-43.2 QB ALA 110 - HA SER 107 far 0 97 0 - 6.5-8.6 HG2 LYS 95 - HA SER 9 far 0 94 0 - 7.1-44.4 HG3 LYS 31 - HA SER 9 far 0 95 0 - 7.4-42.6 HG3 LYS 26 - HA SER 33 far 0 82 0 - 7.5-10.9 HG2 LYS 24 - HA SER 9 far 0 85 0 - 8.1-37.8 HG2 LYS 19 - HA SER 9 far 0 53 0 - 8.2-32.2 QB ALA 15 - HA SER 9 far 0 89 0 - 8.3-18.1 QB ALA 28 - HA SER 33 far 0 84 0 - 9.6-10.5 QB ALA 108 - HA SER 9 far 0 91 0 - 9.7-43.8 HB3 LEU 100 - HA SER 107 far 0 93 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 10113 from cnoeabs.peaks (0.98, 4.39, 58.42 ppm; 6.01 A increased from 5.06 A): 2 out of 8 assignments used, quality = 0.91: QG2 VAL 105 + HA SER 107 OK 76 81 100 95 5.7-6.1 ~11448=59, 11476/3.0=39...(8) QG2 VAL 118 + HA SER 107 OK 61 65 100 93 4.0-6.5 10272=46, 2.1/11542=39...(10) QG1 VAL 112 - HA SER 107 far 5 92 5 - 6.6-8.3 QG1 VAL 105 - HA SER 9 far 3 68 5 - 6.2-36.4 QG1 VAL 105 - HA SER 107 far 0 76 0 - 7.2-7.7 QD2 LEU 53 - HA SER 107 far 0 90 0 - 7.9-9.6 QG2 VAL 105 - HA SER 9 far 0 72 0 - 8.2-37.3 QG2 VAL 118 - HA SER 9 far 0 58 0 - 9.7-39.9 Violated in 0 structures by 0.00 A. Peak 10115 from cnoeabs.peaks (0.77, 4.39, 58.42 ppm; 5.27 A): 3 out of 9 assignments used, quality = 1.00: QD1 LEU 103 + HA SER 107 OK 96 97 100 100 2.5-3.7 10106/3.0=68...(23) QD1 ILE 37 + HA SER 33 OK 81 86 100 94 3.4-4.4 10786/3.0=74...(8) QD1 ILE 32 + HA SER 33 OK 35 88 40 100 5.7-6.1 930/10828=84...(18) QG1 VAL 63 - HA SER 107 far 0 96 0 - 6.5-8.6 QD2 LEU 122 - HA SER 107 far 0 90 0 - 6.9-9.7 QG1 VAL 93 - HA SER 9 far 0 72 0 - 9.1-34.3 QD1 LEU 53 - HA SER 107 far 0 76 0 - 9.6-11.8 HG12 ILE 129 - HA SER 9 far 0 72 0 - 9.8-48.0 QD2 LEU 49 - HA SER 107 far 0 68 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 10117 from cnoeabs.peaks (3.94, 1.38, 19.17 ppm; 3.36 A): 2 out of 27 assignments used, quality = 0.47: HA2 GLY 111 + QB ALA 109 OK 33 78 55 76 3.7-4.7 3.6/10136=30...(13) HA2 GLY 14 + QB ALA 15 OK 22 65 40 85 3.6-4.5 4.9=32, 6117/2.9=19...(11) HA3 GLY 111 - QB ALA 110 poor 20 100 20 - 3.8-4.4 HB2 SER 107 - QB ALA 109 poor 17 61 35 80 3.1-5.0 1.8/10094=48...(11) HB3 SER 107 - QB ALA 109 far 11 76 15 - 3.5-5.7 HA3 GLY 17 - QB ALA 15 far 9 89 10 - 3.7-7.2 HA2 GLY 17 - QB ALA 15 far 4 89 5 - 3.9-7.3 HB3 SER 94 - QB ALA 15 far 3 65 5 - 3.8-35.1 HA3 GLY 14 - QB ALA 15 far 0 67 0 - 4.1-5.0 HB2 SER 107 - QB ALA 108 far 0 76 0 - 4.2-5.6 HB3 SER 107 - QB ALA 108 far 0 92 0 - 4.3-5.8 HA2 GLY 111 - QB ALA 110 far 0 93 0 - 4.5-5.1 HA3 GLY 111 - QB ALA 109 far 0 88 0 - 4.5-5.2 HB2 SER 106 - QB ALA 108 far 0 81 0 - 4.7-5.5 HB2 SER 106 - QB ALA 109 far 0 65 0 - 5.1-7.1 HD3 PRO 113 - QB ALA 109 far 0 85 0 - 5.9-6.7 HB2 SER 107 - QB ALA 110 far 0 75 0 - 6.0-8.8 HD3 PRO 117 - QB ALA 109 far 0 86 0 - 6.5-7.4 HB3 SER 107 - QB ALA 110 far 0 91 0 - 6.5-9.0 HD3 PRO 113 - QB ALA 110 far 0 98 0 - 7.5-8.7 HA2 GLY 111 - QB ALA 108 far 0 93 0 - 8.0-9.2 HD3 PRO 117 - QB ALA 108 far 0 99 0 - 8.4-9.9 HA3 GLY 111 - QB ALA 108 far 0 100 0 - 8.6-9.5 HB2 SER 106 - QB ALA 110 far 0 80 0 - 9.0-11.4 HA LEU 100 - QB ALA 109 far 0 75 0 - 9.5-10.5 HA LEU 100 - QB ALA 108 far 0 90 0 - 9.8-11.1 HA LEU 100 - QB ALA 15 far 0 89 0 - 9.9-36.8 Violated in 20 structures by 0.23 A. Peak 10124 from cnoeabs.peaks (3.93, 0.97, 20.69 ppm; 3.78 A): 1 out of 15 assignments used, quality = 1.00: HD3 PRO 113 + QG1 VAL 112 OK 100 100 100 100 2.9-3.0 11556=87, 1.8/10125=87...(33) HA2 GLY 111 - QG1 VAL 112 far 0 100 0 - 5.5-5.9 HA3 GLY 111 - QG1 VAL 112 far 0 96 0 - 5.5-5.8 HB3 SER 107 - QG1 VAL 105 far 0 38 0 - 5.8-7.5 HB2 SER 107 - QG1 VAL 105 far 0 63 0 - 5.8-7.6 HA LEU 100 - QG1 VAL 105 far 0 36 0 - 6.1-7.0 HB2 SER 107 - QG1 VAL 112 far 0 97 0 - 7.1-9.5 HD3 PRO 117 - QG1 VAL 112 far 0 85 0 - 7.2-8.4 HB3 SER 107 - QG1 VAL 112 far 0 65 0 - 7.2-10.3 HB3 SER 60 - QG1 VAL 105 far 0 41 0 - 8.1-10.5 HB2 SER 60 - QG1 VAL 105 far 0 41 0 - 8.3-10.6 HA2 GLY 14 - QG1 VAL 105 far 0 58 0 - 9.0-33.2 HB2 SER 60 - QG1 VAL 112 far 0 71 0 - 9.3-12.3 HA3 GLY 14 - QG1 VAL 105 far 0 59 0 - 9.6-34.1 HD3 PRO 117 - QG1 VAL 105 far 0 52 0 - 9.8-11.3 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 1 assignment used, quality = 1.00: HD2 PRO 113 + QG1 VAL 112 OK 100 100 100 100 1.6-1.7 11557=97, 1.8/10124=78...(31) Violated in 0 structures by 0.00 A. Peak 10126 from cnoeabs.peaks (3.94, 0.92, 20.16 ppm; 3.92 A increased from 3.69 A): 3 out of 7 assignments used, quality = 1.00: HD3 PRO 113 + QG2 VAL 112 OK 100 100 100 100 4.2-4.4 10124/2.1=84...(39) HA3 GLY 111 + QG2 VAL 112 OK 98 99 100 99 3.7-4.1 1.8/10661=74...(9) HA2 GLY 111 + QG2 VAL 112 OK 98 99 100 99 3.6-4.0 10661=70, 3.6/3556=67...(10) HB2 SER 107 - QG2 VAL 112 far 0 89 0 - 5.7-7.7 HB3 SER 107 - QG2 VAL 112 far 0 81 0 - 6.2-8.4 HB2 SER 106 - QG2 VAL 112 far 0 65 0 - 7.6-9.9 HD3 PRO 117 - QG2 VAL 112 far 0 95 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 10128 from cnoeabs.peaks (4.28, 2.12, 32.23 ppm; 4.95 A): 2 out of 4 assignments used, quality = 1.00: HB THR 115 + HB VAL 112 OK 99 99 100 100 1.9-4.5 2.1/11549=97...(17) HA ALA 109 + HB VAL 112 OK 75 100 75 100 4.4-5.7 2.1/10134=85, ~11548=76...(12) HA ALA 110 - HB VAL 112 far 0 100 0 - 6.7-8.2 HA ALA 108 - HB VAL 112 far 0 100 0 - 8.2-9.9 Violated in 0 structures by 0.00 A. Peak 10129 from cnoeabs.peaks (3.93, 2.12, 32.23 ppm; 3.69 A): 0 out of 8 assignments used, quality = 0.00: HD3 PRO 113 - HB VAL 112 far 0 99 0 - 4.7-4.8 HA2 GLY 111 - HB VAL 112 far 0 100 0 - 4.9-5.4 HA3 GLY 111 - HB VAL 112 far 0 92 0 - 5.0-6.0 HB2 SER 107 - HB VAL 112 far 0 99 0 - 6.3-9.3 HB3 SER 107 - HB VAL 112 far 0 57 0 - 6.7-10.0 HD3 PRO 117 - HB VAL 112 far 0 78 0 - 7.9-9.0 HB2 SER 60 - HB VAL 112 far 0 78 0 - 8.9-12.5 HB3 SER 60 - HB VAL 112 far 0 78 0 - 9.8-12.7 Violated in 20 structures by 0.50 A. Peak 10130 from cnoeabs.peaks (3.70, 2.12, 32.23 ppm; 3.76 A increased from 3.54 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 113 + HB VAL 112 OK 100 100 100 100 3.6-3.8 11570=89, 10125/2.1=80...(39) Violated in 2 structures by 0.00 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 3.5-3.7 10137=99, 10125/2.1=91...(37) Violated in 0 structures by 0.00 A. Peak 10134 from cnoeabs.peaks (1.40, 2.12, 32.23 ppm; 4.70 A): 1 out of 3 assignments used, quality = 0.99: QB ALA 109 + HB VAL 112 OK 99 99 100 100 2.1-3.3 11548/2.1=98...(14) QB ALA 110 - HB VAL 112 far 0 95 0 - 6.1-7.0 QB ALA 108 - HB VAL 112 far 0 97 0 - 7.2-8.4 Violated in 0 structures by 0.00 A. Peak 10135 from cnoeabs.peaks (1.40, 0.97, 20.69 ppm; 3.87 A increased from 3.64 A): 1 out of 9 assignments used, quality = 0.92: QB ALA 109 + QG1 VAL 112 OK 92 92 100 100 3.1-4.0 11548/2.1=82...(16) QB ALA 110 - QG1 VAL 112 far 0 81 0 - 5.5-6.5 QB ALA 108 - QG1 VAL 105 far 0 52 0 - 5.6-6.7 HB3 LEU 100 - QG1 VAL 105 far 0 43 0 - 6.0-6.9 QB ALA 108 - QG1 VAL 112 far 0 85 0 - 6.8-8.0 QB ALA 15 - QG1 VAL 105 far 0 48 0 - 6.9-29.4 QB ALA 109 - QG1 VAL 105 far 0 58 0 - 8.6-9.0 QB ALA 16 - QG1 VAL 105 far 0 69 0 - 8.6-32.7 QB ALA 110 - QG1 VAL 105 far 0 48 0 - 9.7-11.4 Violated in 1 structures by 0.01 A. Peak 10137 from cnoeabs.peaks (0.93, 3.70, 50.95 ppm; 3.90 A): 1 out of 4 assignments used, quality = 0.97: QG2 VAL 112 + HD2 PRO 113 OK 97 97 100 100 3.5-3.7 10131=96, 2.1/10125=85...(37) QD1 LEU 119 - HD2 PRO 113 far 0 99 0 - 5.2-6.7 QD1 LEU 62 - HD2 PRO 113 far 0 83 0 - 7.6-9.5 QG1 VAL 57 - HD2 PRO 113 far 0 92 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 10139 from cnoeabs.peaks (0.93, 3.94, 50.95 ppm; 4.37 A increased from 4.11 A): 2 out of 9 assignments used, quality = 0.99: QG2 VAL 112 + HD3 PRO 113 OK 97 97 100 99 4.2-4.4 4.4=99 QD1 LEU 119 + HD3 PRO 117 OK 70 71 100 98 4.2-4.6 10252/1.8=62...(12) QD1 LEU 119 - HD3 PRO 113 far 0 99 0 - 5.5-7.1 QD1 LEU 62 - HD3 PRO 113 far 0 83 0 - 7.1-9.3 QD1 LEU 62 - HD3 PRO 117 far 0 55 0 - 7.9-8.6 QG1 VAL 57 - HD3 PRO 113 far 0 92 0 - 7.9-9.4 QG2 VAL 112 - HD3 PRO 117 far 0 69 0 - 8.1-8.9 QG2 VAL 63 - HD3 PRO 117 far 0 49 0 - 9.1-9.8 QG1 VAL 105 - HD3 PRO 117 far 0 43 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 10140 from cnoeabs.peaks (0.95, 1.91, 31.81 ppm; 5.05 A): 1 out of 5 assignments used, quality = 0.83: QG1 VAL 112 + HB2 PRO 113 OK 83 83 100 100 4.6-4.7 11563/2.3=73...(41) QD1 LEU 119 - HB2 PRO 113 far 5 99 5 - 5.0-7.1 QG2 VAL 112 - HB2 PRO 113 far 0 73 0 - 6.4-6.5 QG1 VAL 57 - HB2 PRO 113 far 0 100 0 - 7.5-9.5 QD2 LEU 53 - HB2 PRO 113 far 0 85 0 - 7.8-10.3 Violated in 0 structures by 0.00 A. Peak 10141 from cnoeabs.peaks (1.58, 2.06, 27.46 ppm; 5.68 A): 1 out of 6 assignments used, quality = 0.64: HG LEU 123 + HB2 GLN 127 OK 64 64 100 100 5.3-5.5 ~10437=73, ~11579=71...(22) HB2 LEU 103 - HG2 PRO 117 far 0 90 0 - 7.4-8.0 HG LEU 122 - HG2 PRO 117 far 0 51 0 - 8.6-10.9 HB2 LEU 103 - HG3 PRO 117 far 0 84 0 - 9.1-9.8 HG LEU 103 - HG2 PRO 117 far 0 69 0 - 9.1-10.1 HG LEU 49 - HB2 GLN 127 far 0 67 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 10142 from cnoeabs.peaks (0.97, 2.06, 27.46 ppm; 4.42 A): 2 out of 18 assignments used, quality = 1.00: QG1 VAL 112 + HG3 PRO 113 OK 100 100 100 100 2.9-3.0 10125/2.3=93...(38) QG1 VAL 57 + HG3 PRO 58 OK 46 46 100 100 4.4-4.7 9309/2.3=72, 9308/2.3=72...(18) QG1 VAL 126 - HB2 GLN 127 poor 16 63 25 - 4.9-5.4 QD1 LEU 119 - HG3 PRO 113 far 0 71 0 - 5.1-7.0 QD1 LEU 119 - HG2 PRO 117 far 0 58 0 - 5.4-5.9 QD1 LEU 119 - HG3 PRO 117 far 0 53 0 - 6.1-6.4 QG2 VAL 126 - HB2 GLN 127 far 0 67 0 - 6.7-6.8 QD2 LEU 53 - HB2 GLN 127 far 0 68 0 - 8.1-9.0 QD2 LEU 53 - HG2 PRO 117 far 0 90 0 - 8.6-9.5 QD2 LEU 53 - HG3 PRO 113 far 0 100 0 - 8.9-11.3 QG1 VAL 112 - HG3 PRO 58 far 0 60 0 - 9.0-10.4 QG1 VAL 112 - HG2 PRO 117 far 0 90 0 - 9.1-10.2 QG1 VAL 112 - HG3 PRO 117 far 0 84 0 - 9.2-10.2 QD2 LEU 53 - HG3 PRO 58 far 0 60 0 - 9.3-10.6 QD2 LEU 53 - HG3 PRO 117 far 0 84 0 - 9.4-10.5 QD1 LEU 119 - HG3 PRO 58 far 0 35 0 - 9.4-10.3 QG1 VAL 57 - HG3 PRO 113 far 0 87 0 - 9.4-11.3 QG1 VAL 105 - HG2 PRO 117 far 0 88 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 10143 from cnoeabs.peaks (0.82, 2.06, 27.46 ppm; 6.80 A): 3 out of 14 assignments used, quality = 0.99: HG13 ILE 80 + HG3 PRO 81 OK 86 86 100 100 4.7-5.9 ~11248=81, ~11178=77...(26) QG1 VAL 133 + HG3 PRO 81 OK 79 80 100 99 4.3-4.8 ~11757=88, 2.1/10575=45...(13) QG2 ILE 80 + HG3 PRO 81 OK 79 79 100 100 2.9-4.9 11281/2.3=96...(26) QD2 LEU 119 - HG3 PRO 113 poor 14 71 20 - 5.7-8.2 QD2 LEU 119 - HG3 PRO 58 far 0 35 0 - 7.4-8.3 QD2 LEU 119 - HG2 PRO 117 far 0 58 0 - 7.6-7.9 QD1 LEU 122 - HB2 GLN 127 far 0 51 0 - 7.6-10.1 QD2 LEU 49 - HB2 GLN 127 far 0 33 0 - 7.6-8.4 QD1 LEU 122 - HG2 PRO 117 far 0 71 0 - 7.8-9.9 QG2 ILE 129 - HB2 GLN 127 far 0 67 0 - 7.9-8.3 QD2 LEU 119 - HG3 PRO 117 far 0 53 0 - 8.5-8.7 QG2 ILE 129 - HG3 PRO 81 far 0 86 0 - 8.8-10.1 QD1 LEU 122 - HG3 PRO 117 far 0 65 0 - 9.2-11.3 QG1 VAL 133 - HB2 GLN 127 far 0 62 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 10144 from cnoeabs.peaks (1.16, 2.06, 27.46 ppm; 6.04 A): 1 out of 13 assignments used, quality = 0.71: QG2 THR 115 + HG3 PRO 113 OK 71 71 100 100 3.8-6.0 2.1/10189=98...(9) HG3 LYS 39 - HG3 PRO 81 poor 8 86 30 32 5.0-7.8 11778/10574=14...(6) HG2 LYS 39 - HG3 PRO 81 poor 7 55 40 32 3.7-9.0 11778/10574=18, 1174=4...(7) QG1 VAL 132 - HG3 PRO 81 far 5 46 10 - 5.9-8.3 QG2 THR 115 - HG2 PRO 117 far 3 58 5 - 6.6-7.0 QG2 THR 115 - HG3 PRO 117 far 3 53 5 - 6.6-7.1 QG2 VAL 132 - HB2 GLN 127 far 0 47 0 - 7.0-8.0 QG2 VAL 77 - HG3 PRO 81 far 0 61 0 - 7.7-8.9 HB3 LEU 62 - HG3 PRO 58 far 0 50 0 - 7.8-9.7 QG2 VAL 132 - HG3 PRO 81 far 0 63 0 - 8.0-10.0 QG2 THR 115 - HG3 PRO 58 far 0 35 0 - 9.3-10.8 QB ALA 41 - HG3 PRO 81 far 0 80 0 - 9.6-11.6 QG1 VAL 132 - HB2 GLN 127 far 0 33 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 10147 from cnoeabs.peaks (3.22, 2.06, 27.46 ppm; 6.80 A): 0 out of 11 assignments used, quality = 0.00: HB2 HIS 5 - HG3 PRO 117 far 7 74 10 - 5.0-61.5 HB2 HIS 5 - HG2 PRO 117 far 4 80 5 - 4.5-59.9 HB3 HIS 8 - HB2 GLN 127 far 3 64 5 - 6.5-57.1 HB2 HIS 5 - HB2 GLN 127 far 3 58 5 - 5.1-62.0 HB3 HIS 4 - HB2 GLN 127 far 3 58 5 - 6.6-64.6 HB3 CYS 125 - HB2 GLN 127 far 0 59 0 - 7.7-8.7 HD2 ARG 84 - HG3 PRO 81 far 0 63 0 - 7.8-13.7 HD3 ARG 135 - HG3 PRO 81 far 0 73 0 - 7.9-10.8 HB3 HIS 4 - HG3 PRO 117 far 0 74 0 - 8.3-62.6 HB3 HIS 4 - HG2 PRO 117 far 0 80 0 - 8.4-61.0 HD3 ARG 84 - HG3 PRO 81 far 0 63 0 - 8.8-13.0 Violated in 13 structures by 0.39 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 4.3-4.4 2.9/7591=94, 11572=76...(8) HA ALA 52 - HA PRO 113 far 0 95 0 - 8.5-10.9 Violated in 0 structures by 0.00 A. Peak 10153 from cnoeabs.peaks (7.92, 3.70, 50.95 ppm; 5.44 A): 2 out of 3 assignments used, quality = 1.00: H VAL 112 + HD2 PRO 113 OK 98 98 100 100 4.5-4.8 4.8=100 H THR 115 + HD2 PRO 113 OK 80 81 100 99 3.9-5.4 4.0/11558=56...(12) HD22 ASN 116 - HD2 PRO 113 far 0 98 0 - 9.0-11.3 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 3 assignments used, quality = 0.97: H VAL 112 + HA PRO 113 OK 90 100 95 95 4.8-5.4 4.0/11563=58...(8) H THR 115 + HA PRO 113 OK 69 71 100 97 4.0-4.7 4.6/7591=71...(9) HD22 ASN 116 - HA PRO 113 far 0 95 0 - 8.4-11.0 Violated in 0 structures by 0.00 A. Peak 10156 from cnoeabs.peaks (7.93, 3.94, 50.95 ppm; 5.26 A): 2 out of 6 assignments used, quality = 1.00: H VAL 112 + HD3 PRO 113 OK 99 99 100 100 4.1-4.9 4.8=100 HD22 ASN 116 + HD3 PRO 117 OK 68 68 100 100 3.8-5.1 4.6/3670=65...(13) H THR 115 - HD3 PRO 113 poor 15 76 20 - 4.9-6.4 H THR 115 - HD3 PRO 117 far 0 49 0 - 6.8-7.7 H SER 106 - HD3 PRO 117 far 0 37 0 - 8.1-9.1 H VAL 112 - HD3 PRO 117 far 0 72 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 10157 from cnoeabs.peaks (1.93, 3.88, 45.18 ppm; 6.80 A): 1 out of 4 assignments used, quality = 0.90: HB2 PRO 113 + HA2 GLY 114 OK 90 90 100 100 5.3-6.3 ~7591=97, ~3593=95...(15) HG2 PRO 113 - HA2 GLY 114 poor 20 99 20 - 6.1-7.5 HG LEU 53 - HA2 GLY 114 far 5 97 5 - 7.0-10.8 HB3 LEU 123 - HA2 GLY 114 far 0 38 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. Peak 10158 from cnoeabs.peaks (1.90, 4.12, 45.18 ppm; 5.85 A increased from 5.50 A): 1 out of 2 assignments used, quality = 0.99: HB2 PRO 113 + HA3 GLY 114 OK 99 99 100 100 5.6-5.7 2.3/10150=96, ~7591=85...(13) HB3 LEU 123 - HA3 GLY 114 far 0 74 0 - 7.5-11.0 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 4.4-5.2 7607/7603=84...(12) HB3 LEU 62 - HA2 GLY 114 far 0 89 0 - 9.1-11.3 Violated in 4 structures by 0.09 A. Peak 10163 from cnoeabs.peaks (0.94, 3.88, 45.18 ppm; 4.72 A): 1 out of 8 assignments used, quality = 0.99: QD1 LEU 119 + HA2 GLY 114 OK 99 100 100 99 2.2-3.7 10160/2.9=76...(12) QD2 LEU 53 - HA2 GLY 114 poor 16 65 25 - 4.8-7.6 QD1 LEU 62 - HA2 GLY 114 far 7 68 10 - 5.3-7.2 QG1 VAL 112 - HA2 GLY 114 far 3 63 5 - 5.3-5.9 QG2 VAL 112 - HA2 GLY 114 far 0 90 0 - 6.8-8.2 QD1 LEU 123 - HA2 GLY 114 far 0 96 0 - 8.7-10.1 QG1 VAL 57 - HA2 GLY 114 far 0 98 0 - 9.0-11.0 QG2 VAL 63 - HA2 GLY 114 far 0 60 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 10164 from cnoeabs.peaks (1.12, 4.12, 45.18 ppm; 5.72 A increased from 4.82 A): 1 out of 2 assignments used, quality = 0.97: QG2 THR 115 + HA3 GLY 114 OK 97 97 100 100 4.5-5.5 10162/1.8=97...(10) HB3 LEU 62 - HA3 GLY 114 far 0 83 0 - 8.1-11.9 Violated in 0 structures by 0.00 A. Peak 10165 from cnoeabs.peaks (0.93, 4.12, 45.18 ppm; 5.39 A): 1 out of 7 assignments used, quality = 0.93: QD1 LEU 119 + HA3 GLY 114 OK 93 93 100 100 1.8-4.3 10160/2.9=90...(11) QD1 LEU 62 - HA3 GLY 114 poor 19 93 20 - 4.4-7.6 QG1 VAL 118 - HA3 GLY 114 far 0 63 0 - 7.1-9.9 QG2 VAL 112 - HA3 GLY 114 far 0 100 0 - 7.3-7.8 QG1 VAL 57 - HA3 GLY 114 far 0 81 0 - 8.3-10.9 QD1 LEU 123 - HA3 GLY 114 far 0 100 0 - 8.6-10.9 QG2 VAL 63 - HA3 GLY 114 far 0 89 0 - 9.1-12.3 Violated in 0 structures by 0.00 A. Peak 10174 from cnoeabs.peaks (2.85, 4.40, 61.68 ppm; 5.51 A increased from 5.19 A): 1 out of 2 assignments used, quality = 1.00: HB2 ASN 116 + HA THR 115 OK 100 100 100 100 5.3-5.5 7615/3638=93...(15) HB3 ASN 59 - HA THR 115 far 0 63 0 - 9.0-10.8 Violated in 2 structures by 0.00 A. Peak 10175 from cnoeabs.peaks (3.89, 4.40, 61.68 ppm; 4.83 A): 1 out of 4 assignments used, quality = 1.00: HA2 GLY 114 + HA THR 115 OK 100 100 100 100 4.4-4.6 5.0=90, 7603/3.0=89...(13) HD2 PRO 117 - HA THR 115 far 0 65 0 - 5.5-6.2 HA3 GLY 2 - HA THR 115 far 0 99 0 - 8.3-71.3 HA2 GLY 2 - HA THR 115 far 0 99 0 - 9.1-71.8 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 4.5-4.7 2.9/3638=93...(17) 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 2.9-3.4 10177/3645=68...(15) Violated in 0 structures by 0.00 A. Peak 10181 from cnoeabs.peaks (3.91, 1.13, 21.32 ppm; 5.97 A increased from 4.77 A): 3 out of 7 assignments used, quality = 0.95: HA2 GLY 111 + QG2 THR 115 OK 74 87 85 100 5.1-7.4 10661/11553=94...(5) HD3 PRO 113 + QG2 THR 115 OK 73 73 100 100 5.0-6.0 4.4/11499=93...(17) HB2 SER 107 + QG2 THR 115 OK 23 98 45 53 5.0-7.2 10110/10194=29...(3) HB3 SER 60 - QG2 THR 115 far 0 100 0 - 8.4-11.4 HB2 SER 60 - QG2 THR 115 far 0 100 0 - 8.4-11.2 HA3 GLY 2 - QG2 THR 115 far 0 83 0 - 8.4-56.3 HA2 GLY 2 - QG2 THR 115 far 0 83 0 - 8.6-56.7 Violated in 0 structures by 0.00 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 2.3-2.7 3.0/10179=90...(17) 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 1.8-2.9 11497=85, 2.1/11499=85...(21) HB VAL 57 - QG2 THR 115 far 0 96 0 - 8.7-9.6 HB2 GLU 102 - QG2 THR 115 far 0 83 0 - 8.9-11.7 HB3 GLN 61 - QG2 THR 115 far 0 100 0 - 9.1-10.3 HG3 PRO 58 - QG2 THR 115 far 0 57 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 10186 from cnoeabs.peaks (1.85, 1.13, 21.32 ppm; 5.90 A increased from 5.25 A): 1 out of 1 assignment used, quality = 0.81: HB3 LEU 119 + QG2 THR 115 OK 81 81 100 100 5.4-5.7 3.1/10195=95, ~10296=68...(15) Violated in 0 structures by 0.00 A. Peak 10189 from cnoeabs.peaks (2.06, 4.27, 69.69 ppm; 5.46 A): 1 out of 4 assignments used, quality = 0.99: HG3 PRO 113 + HB THR 115 OK 99 100 100 99 2.4-4.8 11939/3636=60...(9) HB VAL 118 - HB THR 115 far 0 100 0 - 9.3-9.6 HG3 PRO 117 - HB THR 115 far 0 98 0 - 9.5-10.1 HG2 PRO 117 - HB THR 115 far 0 99 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 10191 from cnoeabs.peaks (1.38, 4.27, 69.69 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.45: QB ALA 109 + HB THR 115 OK 45 95 50 95 3.8-5.6 10196/2.1=77...(9) QB ALA 110 - HB THR 115 far 0 99 0 - 7.5-10.1 QB ALA 108 - HB THR 115 far 0 98 0 - 8.1-10.2 Violated in 20 structures by 0.86 A. Peak 10192 from cnoeabs.peaks (0.93, 4.27, 69.69 ppm; 4.64 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 112 + HB THR 115 OK 99 99 100 100 3.3-4.8 11553/2.1=96...(19) QD1 LEU 119 + HB THR 115 OK 97 97 100 100 4.2-4.4 10296=92, ~10195=59...(12) QD1 LEU 62 - HB THR 115 far 0 87 0 - 7.3-8.1 Violated in 0 structures by 0.00 A. Peak 10193 from cnoeabs.peaks (0.81, 4.27, 69.69 ppm; 5.96 A): 1 out of 3 assignments used, quality = 0.98: QD2 LEU 119 + HB THR 115 OK 98 98 100 100 5.4-5.8 2.1/10296=95...(13) QD1 LEU 103 - HB THR 115 far 0 63 0 - 6.9-8.2 QD1 LEU 53 - HB THR 115 far 0 90 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 10194 from cnoeabs.peaks (0.97, 1.13, 21.32 ppm; 3.01 A): 2 out of 5 assignments used, quality = 1.00: QG1 VAL 112 + QG2 THR 115 OK 100 100 100 100 1.6-2.9 11499=94, 2.1/11553=58...(20) QD1 LEU 119 + QG2 THR 115 OK 62 71 100 87 2.5-2.9 2.1/10195=38...(14) QD2 LEU 53 - QG2 THR 115 far 0 100 0 - 6.4-7.7 QG1 VAL 57 - QG2 THR 115 far 0 87 0 - 8.7-9.3 QG1 VAL 105 - QG2 THR 115 far 0 99 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 10195 from cnoeabs.peaks (0.76, 1.13, 21.32 ppm; 5.64 A increased from 5.01 A): 1 out of 4 assignments used, quality = 0.25: QD1 LEU 103 + QG2 THR 115 OK 25 85 100 29 4.4-5.6 11541/10196=14...(4) QD2 LEU 103 - QG2 THR 115 far 4 78 5 - 6.2-7.3 QD2 LEU 122 - QG2 THR 115 far 0 73 0 - 7.6-10.1 QG1 VAL 63 - QG2 THR 115 far 0 83 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 10196 from cnoeabs.peaks (1.37, 1.13, 21.32 ppm; 3.50 A): 1 out of 3 assignments used, quality = 0.86: QB ALA 109 + QG2 THR 115 OK 86 89 100 97 1.9-3.5 10191/2.1=65...(16) QB ALA 108 - QG2 THR 115 far 0 95 0 - 5.4-7.0 QB ALA 110 - QG2 THR 115 far 0 97 0 - 5.7-7.7 Violated in 1 structures by 0.00 A. Peak 10200 from cnoeabs.peaks (2.04, 4.97, 51.55 ppm; 4.61 A increased from 4.34 A): 2 out of 4 assignments used, quality = 1.00: HG3 PRO 117 + HA ASN 116 OK 97 97 100 100 4.3-4.4 2.3/3667=94, 2.3/3670=93...(20) HG2 PRO 117 + HA ASN 116 OK 93 93 100 100 4.3-4.5 2.3/3667=94, 2.3/3670=93...(21) HB VAL 118 - HA ASN 116 far 0 89 0 - 5.2-5.7 HG3 PRO 113 - HA ASN 116 far 0 81 0 - 7.6-9.8 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 2 assignments used, quality = 1.00: HD2 PRO 117 + HB2 ASN 116 OK 100 100 100 100 4.6-5.0 4.8=100 HA2 GLY 114 + HB2 ASN 116 OK 83 83 100 100 5.7-6.6 3.6/10173=88...(6) Violated in 0 structures by 0.00 A. Peak 10207 from cnoeabs.peaks (3.95, 2.85, 38.95 ppm; 5.38 A): 2 out of 8 assignments used, quality = 1.00: HD3 PRO 117 + HB2 ASN 116 OK 100 100 100 100 3.7-4.2 4.8=100 HB3 SER 107 + HB2 ASN 116 OK 35 99 60 60 5.1-7.4 10094/10226=22...(6) HB2 SER 106 - HB2 ASN 116 far 14 95 15 - 5.7-7.4 HB3 SER 106 - HB2 ASN 116 poor 14 71 20 - 5.1-8.3 HA2 GLY 111 - HB2 ASN 116 far 0 78 0 - 6.8-9.6 HD3 PRO 113 - HB2 ASN 116 far 0 90 0 - 7.8-10.0 HA3 GLY 111 - HB2 ASN 116 far 0 99 0 - 8.0-10.6 HA LEU 100 - HB2 ASN 116 far 0 99 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 10208 from cnoeabs.peaks (3.98, 2.93, 38.95 ppm; 5.87 A): 3 out of 6 assignments used, quality = 0.86: HD3 PRO 117 + HB3 ASN 116 OK 73 73 100 100 2.2-3.5 4.8=100 HB3 SER 107 + HB3 ASN 116 OK 32 90 65 54 4.9-7.4 3.0/10209=20...(7) HB2 SER 106 + HB3 ASN 116 OK 23 97 70 34 5.1-6.7 10210/3.5=12...(6) HB3 SER 106 - HB3 ASN 116 lone 5 100 45 11 4.9-7.8 10210/3.5=5...(3) HB3 SER 99 - HB3 ASN 116 far 0 60 0 - 7.4-8.6 HA LEU 100 - HB3 ASN 116 far 0 92 0 - 8.2-9.6 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 2 assignments used, quality = 0.99: HG LEU 119 + HB2 ASN 116 OK 99 99 100 100 3.1-4.1 2.1/10227=95...(30) HG LEU 122 - HB2 ASN 116 far 0 97 0 - 8.7-11.1 Violated in 0 structures by 0.00 A. Peak 10227 from cnoeabs.peaks (0.95, 2.85, 38.95 ppm; 4.96 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 119 + HB2 ASN 116 OK 99 99 100 100 1.8-3.0 10295/1.8=97, 10294=84...(32) QG1 VAL 112 + HB2 ASN 116 OK 23 83 35 79 4.4-6.1 11499/10184=38...(5) QG2 VAL 112 - HB2 ASN 116 poor 18 73 55 46 5.1-6.0 11553/10184=31, 11496/10226=21 QD2 LEU 53 - HB2 ASN 116 far 0 85 0 - 6.7-8.4 QG1 VAL 105 - HB2 ASN 116 far 0 96 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 10228 from cnoeabs.peaks (0.95, 2.93, 38.95 ppm; 5.53 A): 1 out of 5 assignments used, quality = 0.99: QD1 LEU 119 + HB3 ASN 116 OK 99 99 100 100 1.8-3.7 10294/1.8=99, 10295=99...(28) QG1 VAL 112 - HB3 ASN 116 poor 17 83 20 - 5.9-7.4 QD2 LEU 53 - HB3 ASN 116 far 0 85 0 - 6.3-8.7 QG2 VAL 112 - HB3 ASN 116 far 0 73 0 - 6.5-7.5 QG1 VAL 105 - HB3 ASN 116 far 0 96 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 10232 from cnoeabs.peaks (0.80, 4.97, 51.55 ppm; 6.18 A increased from 4.95 A): 2 out of 5 assignments used, quality = 1.00: QD2 LEU 119 + HA ASN 116 OK 100 100 100 100 5.7-5.9 2.1/11583=99...(36) QD1 LEU 103 + HA ASN 116 OK 90 90 100 100 5.5-6.1 10219/4.6=81...(11) QD2 LEU 122 - HA ASN 116 far 0 97 0 - 8.0-10.4 QD1 LEU 122 - HA ASN 116 far 0 98 0 - 9.5-11.2 QD1 LEU 53 - HA ASN 116 far 0 100 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 10234 from cnoeabs.peaks (8.45, 3.86, 51.04 ppm; 5.50 A): 1 out of 2 assignments used, quality = 1.00: H ASN 116 + HD2 PRO 117 OK 100 100 100 100 4.8-5.0 4.8=100 H VAL 132 - HD2 PRO 81 far 0 56 0 - 8.6-9.7 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 4.8-4.8 4.8=100 H ASN 116 - HD3 PRO 113 far 0 74 0 - 6.8-8.3 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 1 assignment used, quality = 0.59: H LEU 119 + HA PRO 117 OK 59 63 100 94 4.3-4.6 3.8/11562=61...(10) Violated in 0 structures by 0.00 A. Peak 10237 from cnoeabs.peaks (8.10, 4.37, 64.81 ppm; 4.24 A): 2 out of 3 assignments used, quality = 0.94: H ASN 120 + HA PRO 117 OK 79 81 100 98 3.5-3.7 11562=71, 3.8/11561=61...(7) H ASN 121 + HA PRO 117 OK 69 76 100 91 4.4-4.8 4.4/11561=52...(9) H LEU 103 - HA PRO 117 far 0 90 0 - 10.0-11.1 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 3 assignments used, quality = 0.98: HB2 ASN 116 + HD2 PRO 117 OK 89 89 100 100 4.6-5.0 4.8=100 HB3 ASN 85 + HD2 PRO 81 OK 82 85 100 96 3.7-5.2 11236/4.0=94, ~9789=26...(4) HB2 ASN 13 - HD2 PRO 81 far 0 73 0 - 9.3-42.8 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 3.5-4.6 4.8=100 HE2 LYS 39 + HD2 PRO 81 OK 33 90 50 73 4.6-9.7 10571/11757=63...(5) HE3 LYS 39 + HD2 PRO 81 OK 22 90 60 40 5.7-9.7 10579/11757=18...(5) HE3 LYS 86 - HD2 PRO 81 poor 14 46 30 - 5.3-9.8 HD2 ARG 135 - HD2 PRO 81 far 0 86 0 - 8.5-10.5 HE2 LYS 19 - HD2 PRO 81 far 0 49 0 - 9.2-40.0 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 3.7-4.2 4.8=100 HB2 ASN 121 - HD3 PRO 117 far 0 68 0 - 6.7-8.8 HB3 ASN 120 - HD3 PRO 117 far 0 73 0 - 7.0-7.2 HB2 ASN 116 - HD3 PRO 113 far 0 47 0 - 7.8-10.0 HB2 ASN 120 - HD3 PRO 117 far 0 73 0 - 8.6-9.0 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 2.2-3.5 4.8=100 HB3 ASN 116 - HD3 PRO 113 far 0 56 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 10242 from cnoeabs.peaks (2.80, 2.36, 32.10 ppm; 5.40 A increased from 4.55 A): 1 out of 3 assignments used, quality = 1.00: HB3 ASN 120 + HB2 PRO 117 OK 100 100 100 100 5.1-5.4 10301=100, 11625/2.3=99...(6) HB2 ASN 121 - HB2 PRO 117 far 5 100 5 - 6.0-8.3 HB2 ASN 120 - HB2 PRO 117 far 0 100 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 10243 from cnoeabs.peaks (2.83, 2.01, 32.10 ppm; 5.52 A): 3 out of 5 assignments used, quality = 0.84: HB3 ASN 120 + HB3 PRO 117 OK 66 68 100 97 4.8-5.2 11625/2.3=55...(6) HB2 ASN 121 + HB3 PRO 117 OK 36 63 60 95 4.4-6.6 3.8/10316=59...(11) HB3 ASP 64 + HB VAL 63 OK 25 25 100 100 4.0-4.5 3.9/6824=75, ~10980=65...(16) HB2 ASN 120 - HB3 PRO 117 far 3 68 5 - 5.9-6.8 HB2 ASN 116 - HB3 PRO 117 far 0 78 0 - 7.2-7.4 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 4.4-4.4 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 4.8-4.8 3667/3.0=68, 3669/3.0=68...(18) Violated in 0 structures by 0.00 A. Peak 10249 from cnoeabs.peaks (4.96, 2.01, 32.10 ppm; 5.83 A increased from 5.18 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + HB3 PRO 117 OK 100 100 100 100 5.5-5.6 3667/3.0=99, 3670/3.0=99...(18) Violated in 0 structures by 0.00 A. Peak 10257 from cnoeabs.peaks (4.96, 2.05, 27.30 ppm; 4.45 A increased from 3.96 A): 2 out of 3 assignments used, quality = 1.00: HA ASN 116 + HG2 PRO 117 OK 100 100 100 100 4.3-4.5 3667/2.3=91, 3670/2.3=90...(21) HA ASN 116 + HG3 PRO 117 OK 100 100 100 100 4.3-4.4 3667/2.3=91, 3670/2.3=90...(20) HA ASN 116 - HG3 PRO 113 far 0 90 0 - 7.6-9.8 Violated in 0 structures by 0.00 A. Peak 10258 from cnoeabs.peaks (1.62, 2.06, 31.53 ppm; 4.91 A): 2 out of 4 assignments used, quality = 1.00: HG LEU 119 + HB VAL 118 OK 100 100 100 100 3.3-3.6 2.1/11624=86...(14) HG LEU 122 + HB VAL 118 OK 58 93 65 95 4.9-7.1 10290/11544=34...(18) HG LEU 62 - HB VAL 118 far 0 60 0 - 7.7-9.2 HB2 LEU 122 - HB VAL 118 far 0 97 0 - 7.7-8.4 Violated in 0 structures by 0.00 A. Peak 10259 from cnoeabs.peaks (1.38, 2.06, 31.53 ppm; 4.76 A): 0 out of 3 assignments used, quality = 0.00: QB ALA 109 - HB VAL 118 far 0 95 0 - 6.2-7.3 HB3 LEU 100 - HB VAL 118 far 0 100 0 - 8.1-9.3 QB ALA 108 - HB VAL 118 far 0 98 0 - 8.1-9.6 Violated in 20 structures by 1.61 A. Peak 10260 from cnoeabs.peaks (1.82, 0.90, 21.66 ppm; 4.57 A): 2 out of 4 assignments used, quality = 0.92: HB3 LEU 122 + QG1 VAL 118 OK 71 73 100 97 3.7-4.7 3.5/11748=58...(18) HB3 LEU 103 + QG1 VAL 118 OK 71 71 100 100 2.7-3.2 3.0/11836=76, ~10263=66...(29) HB2 LEU 100 - QG1 VAL 118 far 10 100 10 - 5.1-5.7 HB3 LEU 123 - QG1 VAL 118 far 0 76 0 - 6.9-8.1 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 5 assignments used, quality = 1.00: HB2 LEU 103 + QG1 VAL 118 OK 99 99 100 100 1.7-1.8 10263/2.1=63...(29) HG LEU 103 + QG1 VAL 118 OK 87 92 95 100 3.7-4.3 2.1/11612=45, ~11611=42...(23) HB2 LEU 119 - QG1 VAL 118 far 0 68 0 - 5.1-5.5 HG LEU 49 - QG1 VAL 118 far 0 100 0 - 8.1-8.9 HG LEU 123 - QG1 VAL 118 far 0 100 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 10262 from cnoeabs.peaks (1.38, 0.90, 21.66 ppm; 3.90 A): 0 out of 8 assignments used, quality = 0.00: HB3 LEU 100 - QG1 VAL 118 far 0 100 0 - 5.1-5.9 QB ALA 109 - QG1 VAL 118 far 0 97 0 - 6.4-7.5 HB2 LEU 96 - QG1 VAL 118 far 0 100 0 - 6.6-7.3 HG LEU 96 - QG1 VAL 118 far 0 85 0 - 7.0-7.9 QB ALA 108 - QG1 VAL 118 far 0 99 0 - 7.5-8.8 HG3 LYS 95 - QG1 VAL 118 far 0 99 0 - 8.3-9.9 HG2 LYS 95 - QG1 VAL 118 far 0 98 0 - 8.4-10.1 QB ALA 110 - QG1 VAL 118 far 0 100 0 - 9.5-11.3 Violated in 20 structures by 1.08 A. Peak 10263 from cnoeabs.peaks (1.58, 1.01, 22.19 ppm; 3.75 A): 1 out of 4 assignments used, quality = 0.99: HB2 LEU 103 + QG2 VAL 118 OK 99 99 100 100 3.1-3.7 3.2/10265=58...(36) HG LEU 103 - QG2 VAL 118 far 0 65 0 - 4.8-5.6 HG LEU 122 - QG2 VAL 118 far 0 81 0 - 5.1-6.5 HB2 LEU 122 - QG2 VAL 118 far 0 71 0 - 7.4-8.0 Violated in 0 structures by 0.00 A. Peak 10264 from cnoeabs.peaks (1.38, 1.01, 22.19 ppm; 3.76 A): 0 out of 8 assignments used, quality = 0.00: QB ALA 109 - QG2 VAL 118 far 0 99 0 - 6.1-7.2 QB ALA 108 - QG2 VAL 118 far 0 100 0 - 6.8-8.3 HB3 LEU 100 - QG2 VAL 118 far 0 100 0 - 6.9-7.8 HB2 LEU 96 - QG2 VAL 118 far 0 100 0 - 8.6-9.4 HG2 LYS 95 - QG2 VAL 118 far 0 100 0 - 8.7-11.0 HG3 LYS 95 - QG2 VAL 118 far 0 100 0 - 8.8-10.7 HG LEU 96 - QG2 VAL 118 far 0 92 0 - 9.0-9.9 QB ALA 110 - QG2 VAL 118 far 0 100 0 - 9.8-11.3 Violated in 20 structures by 1.85 A. Peak 10265 from cnoeabs.peaks (0.78, 1.01, 22.19 ppm; 3.51 A increased from 3.31 A): 1 out of 8 assignments used, quality = 1.00: QD1 LEU 103 + QG2 VAL 118 OK 100 100 100 100 2.5-3.7 11611/2.1=70...(32) QD2 LEU 122 - QG2 VAL 118 far 15 99 15 - 3.8-5.4 QD1 LEU 122 - QG2 VAL 118 far 0 65 0 - 4.6-6.7 QD2 LEU 119 - QG2 VAL 118 far 0 81 0 - 5.4-5.8 QG1 VAL 63 - QG2 VAL 118 far 0 100 0 - 6.7-7.5 QD1 LEU 96 - QG2 VAL 118 far 0 99 0 - 7.0-7.8 QD1 LEU 53 - QG2 VAL 118 far 0 93 0 - 7.3-8.2 QD2 LEU 49 - QG2 VAL 118 far 0 89 0 - 7.6-8.3 Violated in 1 structures by 0.01 A. Peak 10266 from cnoeabs.peaks (2.34, 1.01, 22.19 ppm; 3.66 A): 1 out of 2 assignments used, quality = 0.91: HG2 GLU 102 + QG2 VAL 118 OK 91 92 100 99 2.5-3.6 1.8/10267=64...(12) HB2 PRO 117 - QG2 VAL 118 far 0 87 0 - 5.0-5.3 Violated in 0 structures by 0.00 A. Peak 10267 from cnoeabs.peaks (2.52, 1.01, 22.19 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.99: HG3 GLU 102 + QG2 VAL 118 OK 99 99 100 100 1.9-4.5 1.8/10266=89...(13) Violated in 2 structures by 0.02 A. Peak 10268 from cnoeabs.peaks (2.34, 0.90, 21.66 ppm; 4.50 A increased from 4.23 A): 1 out of 2 assignments used, quality = 0.95: HG2 GLU 102 + QG1 VAL 118 OK 95 95 100 100 3.0-4.4 10266/2.1=90...(16) HB2 PRO 117 - QG1 VAL 118 far 0 90 0 - 6.9-7.0 Violated in 0 structures by 0.00 A. Peak 10269 from cnoeabs.peaks (2.53, 0.90, 21.66 ppm; 5.18 A): 1 out of 2 assignments used, quality = 0.98: HG3 GLU 102 + QG1 VAL 118 OK 98 98 100 100 2.3-4.7 1.8/10268=94...(16) HG3 GLN 101 - QG1 VAL 118 poor 15 73 20 - 5.1-6.2 Violated in 0 structures by 0.00 A. Peak 10270 from cnoeabs.peaks (3.99, 1.01, 22.19 ppm; 3.60 A): 3 out of 7 assignments used, quality = 0.99: HB3 SER 99 + QG2 VAL 118 OK 92 97 100 95 3.3-3.8 11475/2.1=54...(11) HA LEU 103 + QG2 VAL 118 OK 77 78 100 99 2.8-3.1 3.0/10263=53...(17) HB2 SER 106 + QG2 VAL 118 OK 31 63 80 62 3.1-5.6 10096/10265=19...(11) HB3 SER 106 - QG2 VAL 118 poor 13 90 25 57 3.6-5.2 1.8/10105=32, ~11854=12...(8) HA LYS 95 - QG2 VAL 118 far 0 71 0 - 8.1-8.8 HA SER 60 - QG2 VAL 118 far 0 92 0 - 8.2-9.7 HB2 SER 124 - QG2 VAL 118 far 0 100 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 10271 from cnoeabs.peaks (4.23, 1.01, 22.19 ppm; 5.57 A): 1 out of 1 assignment used, quality = 0.96: HA SER 99 + QG2 VAL 118 OK 96 96 100 100 3.1-3.5 11599/2.1=99, ~11475=66...(12) Violated in 0 structures by 0.00 A. Peak 10272 from cnoeabs.peaks (4.40, 1.01, 22.19 ppm; 5.99 A increased from 5.33 A): 1 out of 5 assignments used, quality = 0.79: HA SER 107 + QG2 VAL 118 OK 79 92 100 86 4.0-6.5 10115/10265=30...(10) HA HIS 5 - QG2 VAL 118 far 0 99 0 - 7.4-45.6 HA ASN 120 - QG2 VAL 118 far 0 78 0 - 7.4-7.6 HA THR 115 - QG2 VAL 118 far 0 100 0 - 8.4-8.8 HA SER 9 - QG2 VAL 118 far 0 98 0 - 9.7-39.9 Violated in 3 structures by 0.03 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 4.6-5.1 10251/3748=65...(15) Violated in 2 structures by 0.01 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 5.2-5.7 10276/2.1=99...(14) Violated in 0 structures by 0.00 A. Peak 10278 from cnoeabs.peaks (7.89, 1.01, 22.19 ppm; 4.12 A): 1 out of 4 assignments used, quality = 0.75: HD22 ASN 116 + QG2 VAL 118 OK 75 78 100 96 2.7-4.4 10204/2.1=40...(11) H SER 106 - QG2 VAL 118 far 0 100 0 - 4.8-5.4 H GLN 104 - QG2 VAL 118 far 0 100 0 - 5.4-5.9 H THR 115 - QG2 VAL 118 far 0 97 0 - 7.8-9.0 Violated in 2 structures by 0.01 A. Peak 10279 from cnoeabs.peaks (8.09, 1.01, 22.19 ppm; 4.40 A increased from 4.14 A): 1 out of 4 assignments used, quality = 0.99: H LEU 103 + QG2 VAL 118 OK 99 99 100 100 3.4-4.3 7473/10263=63...(16) H ASN 120 - QG2 VAL 118 far 0 95 0 - 5.2-5.5 H ALA 108 - QG2 VAL 118 far 0 98 0 - 6.3-8.0 H ALA 109 - QG2 VAL 118 far 0 99 0 - 7.1-8.7 Violated in 0 structures by 0.00 A. Peak 10281 from cnoeabs.peaks (7.75, 0.80, 23.00 ppm; 5.82 A increased from 5.48 A): 1 out of 3 assignments used, quality = 1.00: H VAL 118 + QD2 LEU 119 OK 100 100 100 100 5.3-5.7 10255/2.1=94...(11) H GLU 55 - QD2 LEU 119 poor 13 100 35 36 6.1-7.2 9264/11621=30, 9279/3795=7 HD22 ASN 121 - QD2 LEU 119 far 0 65 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 10282 from cnoeabs.peaks (7.76, 0.94, 25.07 ppm; 5.15 A): 1 out of 3 assignments used, quality = 1.00: H VAL 118 + QD1 LEU 119 OK 100 100 100 100 3.3-4.3 10255/2.1=82...(13) H GLU 55 - QD1 LEU 119 far 0 100 0 - 7.5-8.4 HD22 ASN 121 - QD1 LEU 119 far 0 76 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 10290 from cnoeabs.peaks (2.82, 1.62, 27.00 ppm; 6.57 A): 6 out of 14 assignments used, quality = 0.99: HB3 ASN 120 + HG LEU 119 OK 87 87 100 100 6.2-6.5 10303/2.9=84...(16) HB2 ASN 121 + HG LEU 122 OK 51 51 100 100 3.5-5.4 ~11092=80, 7724/4.6=74...(15) HB2 ASN 121 + HG LEU 119 OK 44 83 55 96 6.5-8.0 11544/10258=67...(11) HB3 ASN 85 + HG2 ARG 84 OK 43 64 70 96 4.3-8.0 ~11320=49, ~9807=26...(20) HB3 ASP 71 + HG LEU 70 OK 32 91 35 100 6.6-7.4 9511/2.1=77...(9) HB3 ASN 85 + HG3 ARG 84 OK 24 64 40 96 5.9-7.8 ~11320=49, ~9807=26...(20) HB3 ASN 120 - HG LEU 122 far 5 54 10 - 6.4-9.6 HB2 ASN 13 - HG3 ARG 84 far 3 63 5 - 4.2-49.3 HB2 ASN 13 - HG2 ARG 84 far 3 63 5 - 5.0-47.7 HB2 ASN 120 - HG LEU 122 far 3 54 5 - 6.6-9.8 HB2 ASN 120 - HG LEU 119 far 0 87 0 - 7.4-7.9 HB2 ASN 13 - HG LEU 70 far 0 91 0 - 8.1-36.5 HB3 ASP 71 - HG3 ARG 23 far 0 99 0 - 8.5-26.0 HB3 ASP 64 - HG LEU 122 far 0 55 0 - 10.0-12.4 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 78 78 100 100 4.8-6.0 10294/3.0=99...(26) HB2 ASN 120 + HB3 LEU 119 OK 68 68 100 100 4.9-5.6 1.8/10303=99...(10) HB3 ASN 120 + HB3 LEU 119 OK 68 68 100 100 3.9-4.4 3.8/7665=96, 10303=61...(12) HB2 ASN 121 + HB3 LEU 119 OK 29 63 55 84 6.2-7.8 3.8/10317=37...(8) 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 1 assignment used, quality = 1.00: HB3 ASN 116 + QD2 LEU 119 OK 100 100 100 100 3.6-5.4 10295/2.1=100...(24) Violated in 0 structures by 0.00 A. Peak 10293 from cnoeabs.peaks (2.82, 0.80, 23.00 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.93: HB3 ASN 120 + QD2 LEU 119 OK 78 78 100 100 6.2-6.6 10303/3.1=71...(14) HB2 ASN 116 + QD2 LEU 119 OK 68 68 100 100 3.6-4.6 1.8/10292=100...(28) HB2 ASN 120 - QD2 LEU 119 far 0 78 0 - 6.9-7.6 HB2 ASN 121 - QD2 LEU 119 far 0 73 0 - 7.2-8.2 HB3 ASP 64 - QD2 LEU 119 far 0 81 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 10294 from cnoeabs.peaks (2.82, 0.94, 25.07 ppm; 4.09 A): 1 out of 4 assignments used, quality = 0.65: HB2 ASN 116 + QD1 LEU 119 OK 65 65 100 100 1.8-3.0 1.8/10295=82...(31) HB3 ASN 120 - QD1 LEU 119 far 0 81 0 - 4.7-5.1 HB2 ASN 120 - QD1 LEU 119 far 0 81 0 - 5.8-6.5 HB2 ASN 121 - QD1 LEU 119 far 0 76 0 - 6.1-8.0 Violated in 0 structures by 0.00 A. Peak 10295 from cnoeabs.peaks (2.93, 0.94, 25.07 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: HB3 ASN 116 + QD1 LEU 119 OK 100 100 100 100 1.8-3.7 1.8/10294=80, 10228=80...(27) Violated in 0 structures by 0.00 A. Peak 10296 from cnoeabs.peaks (4.29, 0.94, 25.07 ppm; 4.54 A increased from 4.03 A): 1 out of 5 assignments used, quality = 0.95: HB THR 115 + QD1 LEU 119 OK 95 96 100 100 4.2-4.4 ~10195=56, 7612/11559=47...(12) HA ALA 109 - QD1 LEU 119 far 0 98 0 - 6.2-7.6 HA ALA 110 - QD1 LEU 119 far 0 100 0 - 8.0-9.2 HA ALA 108 - QD1 LEU 119 far 0 98 0 - 8.2-9.5 HA GLN 61 - QD1 LEU 119 far 0 100 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 10300 from cnoeabs.peaks (4.02, 2.80, 37.77 ppm; 4.44 A): 3 out of 25 assignments used, quality = 0.98: HB3 SER 124 + HB2 ASN 120 OK 92 99 100 93 4.2-4.7 10355=80, 7770/10352=50 HB3 SER 99 + HB2 ASN 121 OK 64 88 100 73 2.0-4.0 11475/11602=31...(9) HA LEU 122 + HB2 ASN 121 OK 28 64 45 98 3.7-5.4 2.9/7724=72, ~7725=47...(9) HA LEU 96 - HB2 ASN 121 poor 12 84 45 31 4.2-6.6 3901/10307=15...(4) HA LEU 119 - HB2 ASN 121 far 0 100 0 - 5.2-6.3 HB2 SER 124 - HB2 ASN 120 far 0 65 0 - 5.5-6.2 HA LEU 119 - HB3 ASN 120 far 0 100 0 - 5.6-5.7 HB3 SER 124 - HB3 ASN 120 far 0 99 0 - 5.7-6.2 HB2 SER 124 - HB2 ASN 121 far 0 64 0 - 6.1-7.4 HA LYS 95 - HB2 ASN 121 far 0 100 0 - 6.3-8.6 HA LEU 119 - HB2 ASN 120 far 0 100 0 - 6.3-6.6 HB3 SER 124 - HB2 ASN 121 far 0 98 0 - 6.4-7.0 HB2 SER 124 - HB3 ASN 120 far 0 65 0 - 7.0-7.5 HB3 SER 99 - HB3 ASN 120 far 0 89 0 - 7.2-8.2 HA LEU 103 - HB2 ASN 121 far 0 99 0 - 7.5-8.4 HB3 SER 99 - HB2 ASN 120 far 0 89 0 - 7.7-9.2 HA LEU 122 - HB2 ASN 120 far 0 65 0 - 7.7-8.5 HA LEU 122 - HB3 ASN 120 far 0 65 0 - 8.1-8.4 HA SER 50 - HB2 ASN 120 far 0 68 0 - 8.3-9.5 HA ALA 92 - HB2 ASN 121 far 0 70 0 - 8.7-11.1 HA GLU 102 - HB2 ASN 121 far 0 62 0 - 9.0-10.1 HA SER 50 - HB3 ASN 120 far 0 68 0 - 9.4-10.2 HA LEU 96 - HB2 ASN 120 far 0 85 0 - 9.5-10.6 HA LEU 96 - HB3 ASN 120 far 0 85 0 - 9.9-10.4 HA LEU 103 - HB3 ASN 120 far 0 99 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 10301 from cnoeabs.peaks (2.36, 2.80, 37.77 ppm; 5.25 A increased from 4.95 A): 1 out of 6 assignments used, quality = 1.00: HB2 PRO 117 + HB3 ASN 120 OK 100 100 100 100 5.1-5.4 2.3/11561=99, 10242=92...(6) HG2 GLU 102 - HB2 ASN 121 far 0 99 0 - 5.9-8.3 HB2 PRO 117 - HB2 ASN 121 far 0 100 0 - 6.0-8.3 HB2 PRO 117 - HB2 ASN 120 far 0 100 0 - 6.4-6.9 HG2 GLN 127 - HB2 ASN 120 far 0 98 0 - 9.0-11.0 HG2 GLN 127 - HB2 ASN 121 far 0 97 0 - 9.6-13.2 Violated in 2 structures by 0.01 A. Peak 10302 from cnoeabs.peaks (2.03, 2.80, 37.77 ppm; 5.33 A increased from 4.49 A): 4 out of 17 assignments used, quality = 0.95: HB3 PRO 117 + HB3 ASN 120 OK 71 71 100 100 4.8-5.2 2.3/11561=99...(7) HB VAL 118 + HB2 ASN 121 OK 63 75 85 100 4.8-6.0 2.1/11602=94...(30) HB3 PRO 117 + HB2 ASN 121 OK 36 70 55 94 4.4-6.6 10316/3.8=57...(10) HG2 PRO 117 + HB2 ASN 121 OK 31 82 55 70 5.3-7.4 2.3/11589=23...(7) HB3 PRO 117 - HB2 ASN 120 far 0 71 0 - 5.9-6.8 HG2 PRO 117 - HB3 ASN 120 far 0 83 0 - 6.5-6.8 HB VAL 118 - HB3 ASN 120 far 0 76 0 - 6.7-6.9 HG3 PRO 117 - HB2 ASN 121 far 0 88 0 - 6.7-8.8 HG3 PRO 117 - HB3 ASN 120 far 0 89 0 - 7.0-7.3 HG2 PRO 117 - HB2 ASN 120 far 0 83 0 - 7.9-8.5 HB VAL 118 - HB2 ASN 120 far 0 76 0 - 8.1-8.4 HG3 PRO 117 - HB2 ASN 120 far 0 89 0 - 8.4-9.0 HB2 LEU 62 - HB2 ASN 121 far 0 75 0 - 8.8-10.4 QE MET 11 - HB2 ASN 120 far 0 99 0 - 9.0-45.1 QE MET 11 - HB2 ASN 121 far 0 98 0 - 9.0-40.2 HB2 LEU 62 - HB3 ASN 120 far 0 76 0 - 9.5-10.5 HB2 GLN 127 - HB2 ASN 120 far 0 76 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 10303 from cnoeabs.peaks (1.86, 2.80, 37.77 ppm; 4.75 A): 1 out of 6 assignments used, quality = 0.96: HB3 LEU 119 + HB3 ASN 120 OK 96 99 100 97 3.9-4.4 7665/3.8=68, 3814/3.0=36...(13) HB3 LEU 123 - HB2 ASN 120 far 15 100 15 - 5.3-6.5 HB3 LEU 119 - HB2 ASN 120 far 5 99 5 - 4.9-5.6 HB3 LEU 123 - HB3 ASN 120 far 0 100 0 - 5.9-7.2 HB3 LEU 119 - HB2 ASN 121 far 0 98 0 - 6.2-7.8 HB3 LEU 123 - HB2 ASN 121 far 0 100 0 - 7.1-8.2 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 10 assignments used, quality = 1.00: HB2 LEU 123 + HB2 ASN 120 OK 99 99 100 100 4.0-4.9 3813/3.0=78...(21) HB2 LEU 123 + HB3 ASN 120 OK 94 99 95 100 4.9-5.5 3813/3.0=78, ~3927=53...(21) HB2 LEU 98 - HB2 ASN 121 far 0 97 0 - 6.0-7.9 HG LEU 119 - HB3 ASN 120 far 0 83 0 - 6.2-6.5 HB2 LEU 123 - HB2 ASN 121 far 0 98 0 - 6.3-6.8 HG LEU 119 - HB2 ASN 121 far 0 82 0 - 6.5-8.0 HG LEU 119 - HB2 ASN 120 far 0 83 0 - 7.4-7.9 HD3 LYS 95 - HB2 ASN 121 far 0 88 0 - 7.7-10.9 HD2 LYS 95 - HB2 ASN 121 far 0 95 0 - 8.2-10.8 HG LEU 62 - HB3 ASN 120 far 0 99 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 10306 from cnoeabs.peaks (0.89, 2.80, 37.77 ppm; 4.24 A): 2 out of 15 assignments used, quality = 1.00: QD2 LEU 123 + HB2 ASN 120 OK 99 99 100 100 3.8-4.8 11565/3.0=66...(23) QG1 VAL 118 + HB2 ASN 121 OK 97 97 100 100 3.1-3.6 11602=89, 11601/1.8=70...(34) QD2 LEU 123 - HB3 ASN 120 far 0 99 0 - 4.9-5.6 QD1 LEU 98 - HB2 ASN 121 far 0 62 0 - 5.6-9.2 QD2 LEU 98 - HB2 ASN 121 far 0 92 0 - 5.7-9.1 QG1 VAL 118 - HB3 ASN 120 far 0 98 0 - 6.1-6.4 QD1 LEU 62 - HB3 ASN 120 far 0 76 0 - 6.3-7.1 QD1 LEU 62 - HB2 ASN 120 far 0 76 0 - 6.6-7.8 QD1 LEU 62 - HB2 ASN 121 far 0 75 0 - 6.7-8.0 QG1 VAL 118 - HB2 ASN 120 far 0 98 0 - 6.9-7.4 QD2 LEU 123 - HB2 ASN 121 far 0 99 0 - 7.5-8.0 QG2 VAL 63 - HB2 ASN 121 far 0 82 0 - 8.2-9.3 QD1 LEU 49 - HB2 ASN 121 far 0 77 0 - 8.9-10.8 QG2 VAL 57 - HB3 ASN 120 far 0 63 0 - 9.2-10.1 QG2 VAL 57 - HB2 ASN 120 far 0 63 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 10307 from cnoeabs.peaks (0.79, 2.80, 37.77 ppm; 4.90 A): 2 out of 23 assignments used, quality = 0.99: QD2 LEU 122 + HB2 ASN 121 OK 98 100 100 99 2.1-5.1 5.1/7724=54...(12) QD1 LEU 122 + HB2 ASN 121 OK 38 86 45 98 2.3-6.3 4.3/7724=63...(13) QD1 LEU 103 - HB2 ASN 121 far 5 98 5 - 5.4-7.0 QD1 LEU 96 - HB2 ASN 121 far 4 88 5 - 5.4-7.7 QD1 LEU 53 - HB2 ASN 121 far 0 99 0 - 6.1-8.3 QD1 LEU 53 - HB2 ASN 120 far 0 100 0 - 6.1-7.4 QD2 LEU 119 - HB3 ASN 120 far 0 96 0 - 6.2-6.6 QD1 LEU 53 - HB3 ASN 120 far 0 100 0 - 6.3-7.2 QD2 LEU 122 - HB3 ASN 120 far 0 100 0 - 6.4-8.0 QD2 LEU 49 - HB2 ASN 121 far 0 98 0 - 6.6-8.5 QD1 LEU 122 - HB2 ASN 120 far 0 87 0 - 6.9-8.8 QD2 LEU 119 - HB2 ASN 120 far 0 96 0 - 6.9-7.6 QD2 LEU 122 - HB2 ASN 120 far 0 100 0 - 6.9-8.0 QD1 LEU 122 - HB3 ASN 120 far 0 87 0 - 6.9-8.8 QD1 LEU 103 - HB3 ASN 120 far 0 99 0 - 7.0-7.7 QD2 LEU 119 - HB2 ASN 121 far 0 95 0 - 7.2-8.2 QD1 LEU 103 - HB2 ASN 120 far 0 99 0 - 8.1-8.8 QD2 LEU 49 - HB2 ASN 120 far 0 99 0 - 8.8-9.2 QD2 LEU 49 - HB3 ASN 120 far 0 99 0 - 8.9-9.3 QG1 VAL 63 - HB2 ASN 121 far 0 99 0 - 9.1-10.5 QD1 LEU 96 - HB2 ASN 120 far 0 89 0 - 9.4-10.0 QD1 LEU 96 - HB3 ASN 120 far 0 89 0 - 9.5-10.3 QD1 LEU 70 - HB2 ASN 121 far 0 56 0 - 9.6-11.6 Violated in 1 structures by 0.00 A. Peak 10323 from cnoeabs.peaks (1.81, 4.49, 56.15 ppm; 4.63 A): 0 out of 5 assignments used, quality = 0.00: HB3 LEU 122 - HA ASN 121 far 0 95 0 - 5.6-6.0 HB3 LEU 123 - HA ASN 121 far 0 59 0 - 6.2-7.2 HB3 LEU 98 - HA ASN 121 far 0 78 0 - 8.5-10.8 HB3 LEU 103 - HA ASN 121 far 0 93 0 - 9.8-10.5 HB2 LEU 100 - HA ASN 121 far 0 92 0 - 9.9-10.6 Violated in 20 structures by 0.75 A. Peak 10324 from cnoeabs.peaks (0.90, 4.49, 56.15 ppm; 5.55 A increased from 4.93 A): 1 out of 5 assignments used, quality = 1.00: QG1 VAL 118 + HA ASN 121 OK 100 100 100 100 5.3-5.6 11602/3.0=88...(33) QD2 LEU 123 - HA ASN 121 far 0 95 0 - 6.2-6.8 QD2 LEU 98 - HA ASN 121 far 0 81 0 - 7.2-9.8 QD1 LEU 62 - HA ASN 121 far 0 90 0 - 7.4-8.7 QD1 LEU 49 - HA ASN 121 far 0 92 0 - 9.5-10.4 Violated in 1 structures by 0.00 A. Peak 10325 from cnoeabs.peaks (2.07, 2.98, 37.82 ppm; 5.85 A increased from 4.92 A): 2 out of 7 assignments used, quality = 0.98: HB VAL 118 + HB3 ASN 121 OK 97 97 100 100 4.7-5.7 3.0/3735=97, 11594=92...(27) HG2 PRO 117 + HB3 ASN 121 OK 38 95 45 89 5.1-7.1 3729/3735=43, ~7958=22...(11) HB2 GLU 102 - HB3 ASN 121 far 14 92 15 - 5.9-8.8 HG3 PRO 117 - HB3 ASN 121 far 0 90 0 - 6.5-8.6 HB2 LEU 62 - HB3 ASN 121 far 0 97 0 - 8.3-10.2 QE MET 11 - HB3 ASN 121 far 0 68 0 - 8.5-39.2 HB2 GLU 128 - HB3 ASN 121 far 0 93 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 10327 from cnoeabs.peaks (0.98, 2.98, 37.82 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.90: QD2 LEU 53 + HB3 ASN 121 OK 64 95 100 68 5.9-6.9 11749/7725=39...(5) QG2 VAL 118 + HB3 ASN 121 OK 57 57 100 100 3.7-4.7 3.2/3735=100...(28) QG2 VAL 126 + HB3 ASN 121 OK 33 90 70 52 6.2-7.8 11749/7725=39, 11681/11092=20 QG1 VAL 126 - HB3 ASN 121 far 0 76 0 - 8.5-9.7 QG2 VAL 105 - HB3 ASN 121 far 0 73 0 - 8.9-9.6 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 12 assignments used, quality = 0.96: HB2 LEU 96 + QD2 LEU 122 OK 79 98 85 95 2.7-5.5 3.0/3901=27, 3072=21...(40) HG LEU 96 + QD2 LEU 122 OK 70 99 80 89 3.4-6.0 3.7/3901=23, 3089=19...(28) HB3 LEU 100 + QD2 LEU 122 OK 39 97 40 99 4.1-5.0 ~9487=36, 3.0/3903=26...(37) HB2 LEU 96 - QD1 LEU 53 far 0 89 0 - 5.9-7.9 HG2 LYS 95 - QD2 LEU 122 far 0 100 0 - 6.3-9.5 HG3 LYS 95 - QD2 LEU 122 far 0 100 0 - 6.5-9.5 HG LEU 96 - QD1 LEU 53 far 0 90 0 - 7.4-9.3 QB ALA 109 - QD2 LEU 122 far 0 100 0 - 7.9-10.4 HB3 LEU 100 - QD1 LEU 53 far 0 88 0 - 8.3-9.9 QB ALA 15 - QD2 LEU 122 far 0 99 0 - 8.4-31.9 QB ALA 109 - QD1 LEU 53 far 0 93 0 - 8.4-10.4 QB ALA 108 - QD2 LEU 122 far 0 100 0 - 9.3-11.7 Violated in 3 structures by 0.02 A. Peak 10338 from cnoeabs.peaks (0.66, 0.97, 25.20 ppm; 3.62 A): 1 out of 3 assignments used, quality = 0.87: QD2 LEU 62 + QD2 LEU 53 OK 87 96 100 91 1.7-3.4 10038/1679=44...(14) QD2 LEU 100 - QD2 LEU 53 far 0 92 0 - 4.7-7.3 QD1 ILE 129 - QD2 LEU 53 far 0 76 0 - 7.7-9.9 Violated in 0 structures by 0.00 A. Peak 10347 from cnoeabs.peaks (0.67, 0.93, 23.65 ppm; 3.85 A): 0 out of 8 assignments used, quality = 0.00: QD2 LEU 100 - QD1 LEU 49 far 0 46 0 - 4.5-5.4 QD2 LEU 62 - QD1 LEU 49 far 0 49 0 - 4.7-5.2 QD2 LEU 62 - QD2 LEU 48 far 0 39 0 - 5.3-6.6 QD1 ILE 129 - QD1 LEU 49 far 0 31 0 - 5.3-6.0 QD2 LEU 62 - QD1 LEU 123 far 0 97 0 - 5.4-6.0 QD1 ILE 129 - QD1 LEU 123 far 0 71 0 - 6.4-7.2 QD2 LEU 100 - QD1 LEU 123 far 0 95 0 - 7.5-9.0 QD2 LEU 100 - QD2 LEU 48 far 0 37 0 - 8.3-9.5 Violated in 20 structures by 0.16 A. Peak 10348 from cnoeabs.peaks (0.68, 0.88, 25.36 ppm; 5.32 A increased from 4.48 A): 1 out of 2 assignments used, quality = 0.45: QD2 LEU 62 + QD2 LEU 123 OK 45 100 100 45 5.1-5.4 10038/11846=24...(3) QD2 LEU 100 - QD2 LEU 123 far 0 100 0 - 7.9-9.4 Violated in 3 structures by 0.01 A. Peak 10349 from cnoeabs.peaks (4.00, 0.88, 25.36 ppm; 4.08 A): 1 out of 6 assignments used, quality = 0.99: HA SER 50 + QD2 LEU 123 OK 99 100 100 100 2.8-3.5 11874/2.1=83...(23) HB3 SER 124 - QD2 LEU 123 poor 16 63 25 - 4.4-5.3 HA LEU 119 - QD2 LEU 123 far 0 73 0 - 5.5-6.5 HB2 SER 124 - QD2 LEU 123 far 0 99 0 - 5.7-6.5 HB3 SER 51 - QD2 LEU 123 far 0 83 0 - 6.8-7.7 HB3 SER 99 - QD2 LEU 123 far 0 100 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 10350 from cnoeabs.peaks (4.31, 0.74, 25.24 ppm; 5.70 A): 1 out of 2 assignments used, quality = 0.81: HA ASN 59 + QD2 LEU 103 OK 81 81 100 100 3.2-3.9 11837/2.1=98...(26) HA ALA 110 - QD2 LEU 103 far 0 60 0 - 7.2-9.8 Violated in 0 structures by 0.00 A. Peak 10351 from cnoeabs.peaks (8.90, 0.93, 23.65 ppm; 5.64 A): 1 out of 3 assignments used, quality = 0.53: H GLY 66 + QD1 LEU 49 OK 53 53 100 99 3.3-4.4 6853/9421=48...(15) H GLY 66 - QD2 LEU 48 far 0 43 0 - 7.0-8.4 H GLY 66 - QD1 LEU 123 far 0 100 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 10355 from cnoeabs.peaks (2.78, 4.03, 62.56 ppm; 5.15 A): 1 out of 3 assignments used, quality = 0.69: HB2 ASN 120 + HB3 SER 124 OK 69 78 100 88 4.2-4.7 10300=66, 10352/7770=50 HB3 ASN 120 - HB3 SER 124 far 8 78 10 - 5.7-6.2 HB2 ASN 121 - HB3 SER 124 far 0 83 0 - 6.4-7.0 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 4 assignments used, quality = 1.00: HB3 LEU 123 + HA SER 124 OK 98 98 100 100 5.4-5.5 1.8/11573=76, ~7763=71...(17) HB VAL 93 + HA SER 94 OK 86 86 100 100 4.4-4.5 2.1/9963=98, 7281/2.9=90...(16) HB2 LEU 100 - HA SER 94 far 0 75 0 - 7.7-8.3 HB3 LYS 24 - HA SER 94 far 0 56 0 - 9.7-30.7 Violated in 0 structures by 0.00 A. Peak 10371 from cnoeabs.peaks (1.61, 4.03, 62.56 ppm; 5.66 A): 0 out of 2 assignments used, quality = 0.00: HG LEU 122 - HB3 SER 124 far 0 99 0 - 7.0-9.8 HB2 LEU 122 - HB3 SER 124 far 0 100 0 - 7.6-8.4 Violated in 20 structures by 1.64 A. Peak 10372 from cnoeabs.peaks (0.92, 4.03, 62.56 ppm; 4.91 A increased from 4.13 A): 1 out of 5 assignments used, quality = 0.96: QD1 LEU 123 + HB3 SER 124 OK 96 100 100 97 4.4-4.9 7767/7770=68, ~11573=35...(12) QG1 VAL 118 - HB3 SER 124 far 0 76 0 - 8.1-8.7 QD1 LEU 62 - HB3 SER 124 far 0 98 0 - 8.1-9.7 QD1 LEU 119 - HB3 SER 124 far 0 85 0 - 9.0-9.8 QD1 LEU 49 - HB3 SER 124 far 0 97 0 - 9.4-10.2 Violated in 1 structures by 0.00 A. Peak 10373 from cnoeabs.peaks (0.78, 4.03, 62.56 ppm; 4.47 A): 0 out of 7 assignments used, quality = 0.00: QD1 LEU 53 - HB3 SER 124 far 0 93 0 - 6.0-8.0 QD1 LEU 122 - HB3 SER 124 far 0 65 0 - 6.5-8.9 QD2 LEU 122 - HB3 SER 124 far 0 99 0 - 6.7-7.8 QD2 LEU 49 - HB3 SER 124 far 0 89 0 - 7.8-8.7 QD1 LEU 96 - HB3 SER 124 far 0 99 0 - 8.1-8.7 QD2 LEU 119 - HB3 SER 124 far 0 81 0 - 9.4-10.3 QD1 LEU 103 - HB3 SER 124 far 0 100 0 - 9.9-10.9 Violated in 20 structures by 1.06 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 2.6-3.9 10444/3986=63...(19) HG LEU 96 - HA CYS 125 far 0 78 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 10378 from cnoeabs.peaks (0.79, 4.35, 62.64 ppm; 6.36 A increased from 5.09 A): 2 out of 5 assignments used, quality = 0.98: QD1 LEU 96 + HA CYS 125 OK 90 90 100 100 5.8-6.2 9987/3.0=84, 9986/3.0=83...(25) QD2 LEU 122 + HA CYS 125 OK 80 100 80 100 5.9-8.2 10366/2.9=98...(18) QD1 LEU 122 - HA CYS 125 poor 17 85 20 - 5.8-8.0 QD1 LEU 53 - HA CYS 125 far 5 99 5 - 6.9-9.4 QD2 LEU 49 - HA CYS 125 far 0 98 0 - 7.1-7.6 Violated in 0 structures by 0.00 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 3.1-4.4 10383/3.0=92...(24) QD1 LEU 42 - HA CYS 125 far 0 97 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 10380 from cnoeabs.peaks (1.41, 2.74, 27.12 ppm; 5.03 A increased from 4.73 A): 2 out of 4 assignments used, quality = 0.92: QB ALA 92 + HB2 CYS 125 OK 87 87 100 100 4.1-4.8 11396=80, 10376/3.0=77...(15) HG LEU 96 + HB2 CYS 125 OK 42 93 45 100 4.7-6.1 2.1/9986=86...(24) HG2 LYS 95 - HB2 CYS 125 far 7 73 10 - 5.2-7.1 HG3 LYS 95 - HB2 CYS 125 far 0 68 0 - 6.2-7.4 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 3 assignments used, quality = 1.00: QG2 VAL 126 + HB2 CYS 125 OK 100 100 100 100 3.4-4.2 11684=100, 11683/1.8=96...(20) QG1 VAL 126 + HB2 CYS 125 OK 70 100 70 100 5.4-6.1 2.1/11684=91, ~10386=74...(15) QD2 LEU 53 - HB2 CYS 125 far 0 100 0 - 6.6-9.1 Violated in 0 structures by 0.00 A. Peak 10382 from cnoeabs.peaks (0.75, 2.74, 27.12 ppm; 4.30 A increased from 4.05 A): 3 out of 5 assignments used, quality = 0.95: QD1 LEU 96 + HB2 CYS 125 OK 83 83 100 100 3.7-4.4 9986=68, 9987/1.8=60...(25) QD2 LEU 96 + HB2 CYS 125 OK 65 100 65 100 3.5-5.1 2.1/9986=69, 9989/1.8=67...(29) HG12 ILE 129 + HB2 CYS 125 OK 25 100 25 99 4.3-6.0 2.1/10383=69, ~10388=48...(15) QG1 VAL 93 - HB2 CYS 125 far 0 100 0 - 5.5-7.3 QD2 LEU 103 - HB2 CYS 125 far 0 97 0 - 8.1-9.5 Violated in 0 structures by 0.00 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 2.2-4.6 10388/1.8=93...(20) QD1 LEU 42 - HB2 CYS 125 far 0 100 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 10384 from cnoeabs.peaks (2.06, 3.21, 27.12 ppm; 6.27 A): 1 out of 5 assignments used, quality = 0.87: HB2 GLU 128 + HB3 CYS 125 OK 87 87 100 100 4.8-5.9 3986/3.0=86, ~3987=80...(16) QE MET 11 - HB3 CYS 125 far 4 78 5 - 5.9-39.3 HB2 GLN 127 - HB3 CYS 125 far 0 99 0 - 7.7-8.7 HB3 GLU 91 - HB3 CYS 125 far 0 57 0 - 8.9-11.6 HB VAL 118 - HB3 CYS 125 far 0 99 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 10385 from cnoeabs.peaks (1.39, 3.21, 27.12 ppm; 4.64 A): 2 out of 5 assignments used, quality = 0.98: HB2 LEU 96 + HB3 CYS 125 OK 93 93 100 100 2.0-2.8 1.8/11659=71...(31) HG LEU 96 + HB3 CYS 125 OK 75 100 75 100 4.5-5.7 2.1/9987=82, 2.1/9989=72...(23) HG2 LYS 95 - HB3 CYS 125 far 0 99 0 - 5.8-6.6 HG3 LYS 95 - HB3 CYS 125 far 0 98 0 - 5.9-7.2 HB3 LEU 100 - HB3 CYS 125 far 0 92 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 10386 from cnoeabs.peaks (0.94, 3.21, 27.12 ppm; 4.76 A): 1 out of 6 assignments used, quality = 0.81: QG2 VAL 126 + HB3 CYS 125 OK 81 81 100 100 3.2-3.9 10381/1.8=73, 11683=72...(20) QG1 VAL 126 - HB3 CYS 125 far 9 93 10 - 5.3-5.8 QD1 LEU 123 - HB3 CYS 125 far 0 92 0 - 6.0-6.9 QD2 LEU 53 - HB3 CYS 125 far 0 73 0 - 6.6-9.3 QD1 LEU 49 - HB3 CYS 125 far 0 57 0 - 6.6-7.4 QD1 LEU 62 - HB3 CYS 125 far 0 60 0 - 8.1-10.6 Violated in 0 structures by 0.00 A. Peak 10387 from cnoeabs.peaks (0.77, 3.21, 27.12 ppm; 4.17 A increased from 3.92 A): 4 out of 10 assignments used, quality = 1.00: QD1 LEU 96 + HB3 CYS 125 OK 100 100 100 100 3.6-4.0 9987=97, 9986/1.8=71...(24) QD2 LEU 122 + HB3 CYS 125 OK 73 95 80 97 3.5-6.9 11828/1.8=53...(17) QD2 LEU 96 + HB3 CYS 125 OK 71 71 100 100 3.2-4.8 2.1/9987=71, ~9986=48...(26) HG12 ILE 129 + HB3 CYS 125 OK 51 73 70 99 4.1-5.8 2.1/10388=62, ~10383=46...(15) QD2 LEU 49 - HB3 CYS 125 far 0 76 0 - 5.2-6.4 QD1 LEU 53 - HB3 CYS 125 far 0 83 0 - 5.4-9.1 QG1 VAL 93 - HB3 CYS 125 far 0 73 0 - 5.5-7.1 QD1 LEU 103 - HB3 CYS 125 far 0 99 0 - 9.1-11.1 QD2 LEU 43 - HB3 CYS 125 far 0 85 0 - 9.7-11.4 QD2 LEU 119 - HB3 CYS 125 far 0 65 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 10388 from cnoeabs.peaks (0.62, 3.21, 27.12 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.97: QD1 ILE 129 + HB3 CYS 125 OK 89 89 100 100 2.2-4.7 10383/1.8=95...(18) QD1 LEU 100 + HB3 CYS 125 OK 74 78 100 95 6.2-6.7 9487/9498=63...(8) QD1 LEU 42 - HB3 CYS 125 far 0 97 0 - 8.6-10.6 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 4.8-4.8 5.0=100 HA ILE 129 + HA CYS 125 OK 65 68 95 100 6.0-6.5 9952/10376=75...(11) Violated in 0 structures by 0.00 A. Peak 10393 from cnoeabs.peaks (3.85, 0.96, 22.68 ppm; 4.08 A increased from 3.44 A): 2 out of 5 assignments used, quality = 0.99: HA LEU 123 + QG1 VAL 126 OK 96 99 100 97 3.8-4.1 3917/2.1=62, 3916/4.0=38...(16) HB2 SER 50 + QG1 VAL 126 OK 74 87 90 95 3.0-4.8 3.9/11785=51, ~11668=29...(14) HA LEU 70 - QG1 VAL 126 far 0 68 0 - 7.1-7.6 HA LEU 62 - QG1 VAL 126 far 0 97 0 - 7.2-7.7 HA GLU 40 - QG1 VAL 126 far 0 93 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 10394 from cnoeabs.peaks (3.98, 0.96, 22.68 ppm; 3.73 A): 2 out of 8 assignments used, quality = 0.94: HA GLN 127 + QG1 VAL 126 OK 90 90 100 99 3.2-3.5 2.9/4020=51...(20) HA SER 50 + QG1 VAL 126 OK 40 97 45 91 4.1-4.8 2.9/11785=55...(13) HA THR 65 - QG1 VAL 126 far 0 92 0 - 6.5-7.0 HB3 SER 51 - QG1 VAL 126 far 0 100 0 - 6.6-8.0 HB2 SER 124 - QG1 VAL 126 far 0 97 0 - 7.8-8.1 HA GLN 68 - QG1 VAL 126 far 0 99 0 - 8.0-8.7 HB3 SER 99 - QG1 VAL 126 far 0 83 0 - 8.8-9.9 HA LEU 100 - QG1 VAL 126 far 0 73 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 10395 from cnoeabs.peaks (4.35, 0.96, 22.68 ppm; 5.79 A): 3 out of 3 assignments used, quality = 1.00: HA CYS 125 + QG1 VAL 126 OK 100 100 100 100 6.1-6.1 ~10386=68, ~11683=67...(22) HA ASP 47 + QG1 VAL 126 OK 99 99 100 100 4.0-4.2 2.9/11665=82...(11) HA LEU 69 + QG1 VAL 126 OK 35 83 100 42 4.8-5.5 11688/2.1=23...(3) Violated in 0 structures by 0.00 A. Peak 10396 from cnoeabs.peaks (3.87, 0.96, 23.84 ppm; 4.00 A increased from 3.76 A): 2 out of 5 assignments used, quality = 0.91: HA ALA 46 + QG2 VAL 126 OK 71 71 100 100 3.6-3.9 2.1/11680=63, ~9175=58...(20) HA LEU 123 + QG2 VAL 126 OK 69 76 100 91 3.5-4.2 3917/2.1=40...(10) HA LEU 70 - QG2 VAL 126 far 0 97 0 - 5.8-6.5 HB3 SER 50 - QG2 VAL 126 far 0 87 0 - 5.8-7.1 HA LEU 62 - QG2 VAL 126 far 0 71 0 - 6.6-7.2 Violated in 0 structures by 0.00 A. Peak 10397 from cnoeabs.peaks (4.01, 0.96, 23.84 ppm; 4.35 A): 1 out of 8 assignments used, quality = 0.51: HA LEU 96 + QG2 VAL 126 OK 51 63 100 81 3.9-4.3 3994/11683=25...(14) HA SER 50 - QG2 VAL 126 far 0 89 0 - 5.5-6.0 HB3 SER 99 - QG2 VAL 126 far 0 99 0 - 6.3-7.4 HB2 SER 124 - QG2 VAL 126 far 0 87 0 - 6.7-7.5 HA LEU 119 - QG2 VAL 126 far 0 96 0 - 6.8-7.4 HB3 SER 124 - QG2 VAL 126 far 0 90 0 - 7.1-7.7 HA GLN 68 - QG2 VAL 126 far 0 83 0 - 7.5-8.1 HA LYS 95 - QG2 VAL 126 far 0 99 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 10401 from cnoeabs.peaks (0.80, 3.43, 67.09 ppm; 4.09 A): 3 out of 7 assignments used, quality = 0.94: QG2 ILE 129 + HA VAL 126 OK 71 71 100 100 4.0-4.4 2.1/4007=67...(29) QD1 LEU 96 + HA VAL 126 OK 70 71 100 98 3.5-4.1 2.1/11807=54, 11452=37...(23) QD2 LEU 49 + HA VAL 126 OK 29 100 30 98 4.6-4.9 11676/3.2=58...(13) QD1 LEU 122 - HA VAL 126 far 0 97 0 - 4.7-6.8 QD2 LEU 122 - HA VAL 126 far 0 97 0 - 5.5-7.7 QD1 LEU 53 - HA VAL 126 far 0 100 0 - 5.7-7.9 QD1 LEU 70 - HA VAL 126 far 0 78 0 - 7.7-8.3 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 2.1-2.9 11639=87, 11619/3.2=57...(26) QD1 LEU 42 - HA VAL 126 far 0 90 0 - 6.3-7.1 QD2 LEU 100 - HA VAL 126 far 0 60 0 - 7.5-8.6 QD2 LEU 62 - HA VAL 126 far 0 68 0 - 8.8-9.3 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 4 assignments used, quality = 0.99: QB ALA 46 + HA VAL 126 OK 97 97 100 100 4.0-4.2 10409/3.2=99...(17) HB2 LEU 96 + HA VAL 126 OK 63 63 100 100 3.5-4.2 3.2/11452=89...(27) HB2 LEU 42 - HA VAL 126 far 0 68 0 - 9.6-10.1 QB ALA 15 - HA VAL 126 far 0 57 0 - 10.0-38.2 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 2 assignments used, quality = 1.00: QB ALA 92 + HA VAL 126 OK 99 99 100 100 4.8-5.6 10491/10402=100...(12) HG LEU 96 + HA VAL 126 OK 71 71 100 100 5.5-6.1 2.1/11452=95...(25) Violated in 0 structures by 0.00 A. Peak 10406 from cnoeabs.peaks (1.75, 3.43, 67.09 ppm; 6.76 A): 1 out of 3 assignments used, quality = 0.98: HG13 ILE 129 + HA VAL 126 OK 98 98 100 100 1.8-5.0 2.1/10402=100...(28) HG LEU 100 - HA VAL 126 far 0 73 0 - 7.8-8.8 HB2 LEU 48 - HA VAL 126 far 0 63 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 10407 from cnoeabs.peaks (0.79, 2.10, 31.38 ppm; 4.08 A): 3 out of 8 assignments used, quality = 1.00: QD2 LEU 49 + HB VAL 126 OK 97 98 100 99 3.0-3.5 11681/2.1=63...(11) QD1 LEU 96 + HB VAL 126 OK 86 90 100 95 3.8-4.3 11453=42, 11452/3.0=42...(16) QD1 LEU 53 + HB VAL 126 OK 60 99 80 75 3.2-5.4 9218/11668=35...(11) QD1 LEU 122 - HB VAL 126 poor 17 85 20 - 3.2-5.5 QD2 LEU 122 - HB VAL 126 far 0 100 0 - 5.1-6.3 QD2 LEU 119 - HB VAL 126 far 0 95 0 - 9.2-9.7 QD1 LEU 103 - HB VAL 126 far 0 99 0 - 9.5-10.4 QG1 VAL 63 - HB VAL 126 far 0 100 0 - 9.8-10.5 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 1 assignment used, quality = 1.00: QB ALA 46 + QG1 VAL 126 OK 100 100 100 100 2.3-2.5 9175=95, 11680/2.1=34...(21) Violated in 0 structures by 0.00 A. Peak 10410 from cnoeabs.peaks (0.66, 0.96, 22.68 ppm; 4.56 A increased from 4.29 A): 1 out of 3 assignments used, quality = 0.76: QD1 ILE 129 + QG1 VAL 126 OK 76 76 100 100 3.9-4.4 11619/2.1=81...(31) QD2 LEU 62 - QG1 VAL 126 far 0 96 0 - 5.9-6.2 QD2 LEU 100 - QG1 VAL 126 far 0 92 0 - 6.0-6.9 Violated in 0 structures by 0.00 A. Peak 10435 from cnoeabs.peaks (0.91, 2.35, 33.92 ppm; 4.13 A): 1 out of 11 assignments used, quality = 0.95: QD1 LEU 123 + HG2 GLN 127 OK 95 95 100 100 3.1-3.5 11638=91, 10437/1.8=88...(19) QG1 VAL 20 - HG2 GLN 27 far 4 83 5 - 4.7-16.5 QD1 LEU 22 - HG2 GLN 27 far 3 64 5 - 3.5-13.7 QD1 LEU 22 - HG3 GLN 27 far 3 63 5 - 4.1-15.1 QG2 VAL 20 - HG2 GLN 27 far 3 58 5 - 4.7-15.3 QG2 VAL 20 - HG3 GLN 27 far 3 57 5 - 4.4-15.7 QG1 VAL 20 - HG3 GLN 27 far 0 81 0 - 4.8-15.9 QD1 LEU 49 - HG2 GLN 127 far 0 100 0 - 6.0-8.3 QD2 LEU 48 - HG2 GLN 127 far 0 99 0 - 8.9-12.3 QD1 LEU 48 - HG2 GLN 127 far 0 98 0 - 9.5-12.4 QD1 LEU 62 - HG2 GLN 127 far 0 100 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 10436 from cnoeabs.peaks (0.92, 2.06, 27.80 ppm; 4.26 A): 1 out of 12 assignments used, quality = 0.96: QD1 LEU 123 + HB2 GLN 127 OK 96 97 100 100 2.9-3.7 10437/3.0=73...(16) QD1 LEU 119 - HG3 PRO 113 far 0 41 0 - 5.1-7.0 QG2 VAL 112 - HG3 PRO 113 far 0 65 0 - 5.4-5.5 QD1 LEU 49 - HB2 GLN 127 far 0 100 0 - 7.2-8.4 QG2 VAL 112 - HG3 PRO 58 far 0 74 0 - 7.3-8.6 QD1 LEU 62 - HG3 PRO 58 far 0 76 0 - 7.3-8.0 QG2 VAL 63 - HG3 PRO 58 far 0 75 0 - 7.6-8.3 QD1 LEU 62 - HG3 PRO 113 far 0 67 0 - 7.9-10.0 QD1 LEU 119 - HG3 PRO 58 far 0 47 0 - 9.4-10.3 QD2 LEU 48 - HG3 PRO 58 far 0 74 0 - 9.6-12.1 QD2 LEU 48 - HB2 GLN 127 far 0 99 0 - 9.8-12.0 QD1 LEU 62 - HB2 GLN 127 far 0 100 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 10437 from cnoeabs.peaks (0.92, 2.49, 33.92 ppm; 4.00 A): 1 out of 4 assignments used, quality = 0.99: QD1 LEU 123 + HG3 GLN 127 OK 99 99 100 100 1.8-2.1 11578=97, 11579/1.8=80...(19) QD1 LEU 49 - HG3 GLN 127 far 0 99 0 - 6.3-8.2 QD1 LEU 62 - HG3 GLN 127 far 0 99 0 - 8.6-9.8 QD2 LEU 48 - HG3 GLN 127 far 0 97 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 10442 from cnoeabs.peaks (1.13, 4.20, 59.03 ppm; 5.01 A): 1 out of 2 assignments used, quality = 0.95: QG2 VAL 132 + HA GLU 128 OK 95 95 100 100 3.8-4.4 11627/4111=81...(12) QG1 VAL 132 - HA GLU 128 far 0 100 0 - 6.3-7.0 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 4 assignments used, quality = 0.00: QG2 ILE 129 - HA GLU 128 far 0 100 0 - 6.1-6.1 QG1 VAL 133 - HA GLU 128 far 0 97 0 - 7.9-9.3 QD2 LEU 49 - HA GLU 128 far 0 57 0 - 9.3-9.8 QD1 LEU 122 - HA GLU 128 far 0 83 0 - 9.4-11.5 Violated in 20 structures by 1.76 A. Peak 10444 from cnoeabs.peaks (1.43, 2.08, 28.41 ppm; 4.40 A): 1 out of 5 assignments used, quality = 1.00: QB ALA 92 + HB2 GLU 128 OK 100 100 100 100 2.7-4.0 10446/3.0=76...(13) HG2 LYS 86 - HB3 GLN 82 far 0 50 0 - 7.0-10.2 QB ALA 16 - HB3 GLN 82 far 0 31 0 - 8.4-39.6 HG3 LYS 19 - HB3 GLN 82 far 0 45 0 - 9.0-41.1 QB ALA 16 - HB2 GLU 102 far 0 63 0 - 9.8-41.6 Violated in 0 structures by 0.00 A. Peak 10445 from cnoeabs.peaks (1.42, 2.22, 28.41 ppm; 4.97 A): 2 out of 11 assignments used, quality = 0.97: QB ALA 92 + HB3 GLU 128 OK 93 93 100 100 3.5-4.2 10444/1.8=89...(14) HG LEU 96 + HB3 GLU 97 OK 59 59 100 100 4.0-5.1 11363/1.8=74...(31) QB ALA 16 - HB3 GLU 97 far 0 69 0 - 6.6-36.2 HG2 LYS 95 - HB3 GLU 128 far 0 63 0 - 8.0-10.0 HG2 LYS 95 - HB3 GLU 97 far 0 40 0 - 8.4-10.2 QB ALA 109 - HB3 GLU 102 far 0 56 0 - 9.0-10.9 QB ALA 92 - HB3 GLU 97 far 0 65 0 - 9.0-9.5 HG LEU 96 - HB3 GLU 102 far 0 77 0 - 9.4-12.3 HG LEU 96 - HB2 GLN 68 far 0 75 0 - 9.5-10.2 HG3 LYS 19 - HB3 GLU 97 far 0 40 0 - 9.7-39.8 QB ALA 16 - HB3 GLU 102 far 0 87 0 - 10.0-42.8 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 1 assignment used, quality = 1.00: QB ALA 92 + HG2 GLU 128 OK 100 100 100 100 1.8-3.1 11399=80, 10447/1.8=74...(17) Violated in 0 structures by 0.00 A. Peak 10447 from cnoeabs.peaks (1.44, 2.42, 34.22 ppm; 3.64 A): 1 out of 1 assignment used, quality = 0.99: QB ALA 92 + HG3 GLU 128 OK 99 99 100 100 1.9-3.1 10446/1.8=73, 9949=50...(15) Violated in 0 structures by 0.00 A. Peak 10448 from cnoeabs.peaks (2.81, 2.22, 28.41 ppm; 6.80 A): 2 out of 5 assignments used, quality = 0.93: HB3 ASP 71 + HB2 GLN 68 OK 92 92 100 100 4.4-6.0 2129/3.0=100...(15) HB2 ASN 121 + HB3 GLU 102 OK 21 85 25 99 6.9-8.5 11602/11546=87...(5) HB3 ASP 64 - HB2 GLN 68 lone 14 87 95 17 6.4-9.2 9429/2130=14 HB3 ASP 71 - HB3 GLU 97 far 0 75 0 - 9.0-10.9 HB2 ASN 121 - HB3 GLU 97 far 0 66 0 - 9.4-11.9 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 4.7-5.5 4086/4111=90...(12) HE2 LYS 95 - HG3 GLU 128 far 0 95 0 - 6.4-10.0 HE3 LYS 95 - HG3 GLU 128 far 0 95 0 - 6.9-9.4 Violated in 0 structures by 0.00 A. Peak 10450 from cnoeabs.peaks (2.77, 2.42, 34.22 ppm; 5.66 A increased from 5.32 A): 1 out of 3 assignments used, quality = 1.00: HB2 ASP 131 + HG3 GLU 128 OK 100 100 100 100 5.0-5.8 1.8/10449=90...(11) HB2 CYS 73 - HG3 GLU 128 far 0 85 0 - 9.1-11.7 HB3 ASN 13 - HG3 GLU 128 far 0 100 0 - 9.8-45.1 Violated in 2 structures by 0.01 A. Peak 10452 from cnoeabs.peaks (3.47, 2.37, 34.22 ppm; 5.63 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 129 + HG2 GLU 128 OK 100 100 100 100 3.4-4.6 2.9/4109=87...(22) Violated in 0 structures by 0.00 A. Peak 10453 from cnoeabs.peaks (8.27, 0.64, 14.39 ppm; 4.33 A increased from 4.08 A): 2 out of 7 assignments used, quality = 1.00: H LEU 96 + QD1 ILE 129 OK 100 100 100 100 3.6-4.2 9982=90, 3.8/10492=59...(17) H VAL 126 + QD1 ILE 129 OK 85 85 100 100 3.5-4.3 2.9/11639=76...(38) H ASP 131 - QD1 ILE 129 far 0 100 0 - 5.6-6.5 H LEU 69 - QD1 ILE 129 far 0 65 0 - 6.7-7.7 H LEU 123 - QD1 ILE 129 far 0 96 0 - 7.1-8.0 H SER 99 - QD1 ILE 129 far 0 83 0 - 7.5-8.3 H LEU 43 - QD1 ILE 129 far 0 90 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 10454 from cnoeabs.peaks (8.46, 0.64, 14.39 ppm; 4.50 A): 1 out of 8 assignments used, quality = 0.71: H VAL 93 + QD1 ILE 129 OK 71 71 100 100 2.6-3.4 2.9/10461=78...(17) H VAL 132 - QD1 ILE 129 far 0 95 0 - 5.6-6.5 H LEU 70 - QD1 ILE 129 far 0 99 0 - 5.9-7.0 H LEU 100 - QD1 ILE 129 far 0 63 0 - 7.8-8.6 H ASP 47 - QD1 ILE 129 far 0 100 0 - 8.2-8.7 H SER 9 - QD1 ILE 129 far 0 60 0 - 8.8-39.7 H ASN 13 - QD1 ILE 129 far 0 76 0 - 9.3-33.8 H ALA 12 - QD1 ILE 129 far 0 92 0 - 9.9-34.2 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 3 assignments used, quality = 0.81: H ALA 92 + QD1 ILE 129 OK 81 81 100 100 3.9-4.9 3.0/10491=98...(27) H ALA 88 - QD1 ILE 129 far 0 89 0 - 7.8-8.9 H GLN 68 - QD1 ILE 129 far 0 76 0 - 8.9-9.9 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 1 assignment used, quality = 1.00: QE PHE 89 + QD1 ILE 129 OK 100 100 100 100 4.1-4.8 10457/4163=93...(18) Violated in 0 structures by 0.00 A. Peak 10457 from cnoeabs.peaks (7.40, 0.82, 16.92 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 89 + QG2 ILE 129 OK 100 100 100 100 2.1-2.6 11891/10486=48...(27) QE PHE 89 - QG2 ILE 80 far 0 69 0 - 5.7-6.2 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 3.6-5.0 10457/3.2=91...(21) 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 3.3-4.1 2.2/10458=64...(22) HE ARG 135 - HA ILE 129 far 0 90 0 - 7.4-10.1 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 1.7-2.2 9966=91, 3.2/10487=65...(36) HB3 HIS 10 - QD1 ILE 129 far 0 100 0 - 6.9-35.0 HD3 ARG 135 - QD1 ILE 129 far 0 83 0 - 8.5-10.8 HB3 PHE 87 - QD1 ILE 129 far 0 83 0 - 9.3-10.7 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 4 assignments used, quality = 0.95: HG CYS 73 + QD1 ILE 129 OK 95 96 100 100 3.2-4.8 9958/10487=76...(14) HB2 CYS 45 - QD1 ILE 129 far 0 87 0 - 7.6-9.6 HD2 ARG 135 - QD1 ILE 129 far 0 93 0 - 8.9-11.3 HE2 LYS 39 - QD1 ILE 129 far 0 99 0 - 9.9-11.0 Violated in 0 structures by 0.00 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 125 + QD1 ILE 129 OK 98 98 100 100 2.2-4.6 10383=97, 1.8/10388=85...(20) HB2 CYS 73 + QD1 ILE 129 OK 94 100 95 99 4.2-5.4 9959/10487=80...(15) HB2 ASP 131 - QD1 ILE 129 far 0 65 0 - 6.6-7.8 HB2 TYR 76 - QD1 ILE 129 far 0 93 0 - 7.0-8.4 HB3 ASN 13 - QD1 ILE 129 far 0 68 0 - 8.5-34.8 HB2 ASP 47 - QD1 ILE 129 far 0 60 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 10468 from cnoeabs.peaks (4.07, 0.64, 14.39 ppm; 4.43 A): 3 out of 7 assignments used, quality = 0.98: HA PHE 89 + QD1 ILE 129 OK 88 89 100 100 3.6-4.9 9954/10487=62...(22) HA ALA 92 + QD1 ILE 129 OK 81 81 100 100 3.9-4.6 2.1/10491=96...(32) HA LEU 96 + QD1 ILE 129 OK 26 65 40 100 4.5-5.2 3.0/10492=72...(20) HA LEU 122 - QD1 ILE 129 far 8 85 10 - 5.0-6.0 HB3 SER 74 - QD1 ILE 129 far 0 100 0 - 7.4-9.3 HB2 SER 74 - QD1 ILE 129 far 0 100 0 - 7.4-9.0 HB THR 65 - QD1 ILE 129 far 0 100 0 - 9.3-10.2 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 4 assignments used, quality = 0.78: QG2 VAL 132 + HA ILE 129 OK 78 78 100 99 1.8-2.7 2.1/4126=58, 4.0/7909=36...(27) QG2 VAL 77 - HA ILE 129 far 0 81 0 - 6.3-7.0 HG3 LYS 39 - HA ILE 129 far 0 100 0 - 9.2-10.2 HG2 LYS 39 - HA ILE 129 far 0 68 0 - 9.6-11.9 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 3 assignments used, quality = 1.00: QB ALA 92 + HA ILE 129 OK 100 100 100 100 3.3-3.8 9952=100, 9946/3.2=67...(19) HG LEU 96 - HA ILE 129 far 0 60 0 - 8.8-9.6 HG2 LYS 86 - HA ILE 129 far 0 99 0 - 9.3-10.1 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 = 0.71: QG2 VAL 133 + HA ILE 129 OK 71 73 100 97 4.0-4.9 11764/4126=33, 10566=33...(17) QG1 VAL 77 - HA ILE 129 far 0 100 0 - 8.4-8.8 Violated in 3 structures by 0.02 A. Peak 10481 from cnoeabs.peaks (1.42, 0.82, 16.92 ppm; 4.19 A): 2 out of 12 assignments used, quality = 1.00: QB ALA 92 + QG2 ILE 129 OK 100 100 100 100 2.9-3.9 9946=97, 10491/4163=82...(28) HG2 LYS 86 + QG2 ILE 80 OK 69 69 100 100 2.6-4.5 9720/3.1=62...(32) HG LEU 96 - QG2 ILE 129 far 0 65 0 - 5.9-6.7 HG3 LYS 19 - QG2 ILE 80 far 0 52 0 - 6.2-31.3 HG2 LYS 86 - QG2 ILE 129 far 0 100 0 - 7.0-7.7 QB ALA 34 - QG2 ILE 80 far 0 68 0 - 7.8-9.6 QB ALA 92 - QG2 ILE 80 far 0 68 0 - 8.1-9.1 QB ALA 16 - QG2 ILE 80 far 0 51 0 - 8.3-30.3 HG3 LYS 24 - QG2 ILE 80 far 0 49 0 - 9.0-24.4 QB ALA 34 - QG2 ILE 129 far 0 99 0 - 9.0-10.6 QB ALA 16 - QG2 ILE 129 far 0 83 0 - 9.7-32.1 HG3 LYS 19 - QG2 ILE 129 far 0 85 0 - 9.8-34.0 Violated in 0 structures by 0.00 A. Peak 10482 from cnoeabs.peaks (1.02, 0.82, 16.92 ppm; 3.40 A increased from 3.20 A): 2 out of 4 assignments used, quality = 0.98: QG2 VAL 133 + QG2 ILE 129 OK 89 92 100 97 2.7-3.5 10587/10486=45...(19) QD1 LEU 69 + QG2 ILE 129 OK 85 89 100 96 2.9-3.6 11039/10486=40...(19) QG2 VAL 133 - QG2 ILE 80 far 0 58 0 - 4.4-5.4 QD1 LEU 69 - QG2 ILE 80 far 0 55 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 10483 from cnoeabs.peaks (1.43, 0.75, 30.23 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 92 + HG12 ILE 129 OK 100 100 100 100 1.8-4.7 10491/2.1=99...(21) 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 = 0.99: QG2 VAL 93 + HA ILE 129 OK 92 92 100 100 3.6-4.3 9967/4.2=70...(22) QD1 ILE 80 + HA ILE 129 OK 88 100 90 98 5.3-5.8 9747/10459=56...(13) Violated in 0 structures by 0.00 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 2.4-3.3 2.1/9083=65, 9081=49...(21) QD2 LEU 42 - QG2 ILE 80 far 0 69 0 - 6.4-7.3 Violated in 0 structures by 0.00 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 1.7-1.9 9967=93, 11408/2.1=52...(40) QD1 ILE 80 - QD1 ILE 129 far 0 71 0 - 5.7-6.5 Violated in 0 structures by 0.00 A. Peak 10488 from cnoeabs.peaks (0.28, 1.74, 30.23 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HG13 ILE 129 OK 100 100 100 100 1.7-4.1 11717/1.8=100...(21) QD1 ILE 80 - HG13 ILE 129 poor 18 90 20 - 5.8-7.9 Violated in 0 structures by 0.00 A. Peak 10489 from cnoeabs.peaks (0.96, 0.64, 14.39 ppm; 3.67 A increased from 3.46 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 126 + QD1 ILE 129 OK 100 100 100 100 3.1-3.7 11692=86, 3.2/11639=53...(33) QG1 VAL 126 + QD1 ILE 129 OK 34 99 35 100 3.9-4.4 2.1/11692=64...(30) QD2 LEU 53 - QD1 ILE 129 far 0 100 0 - 7.7-9.9 QG2 ILE 37 - QD1 ILE 129 far 0 60 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 10490 from cnoeabs.peaks (1.14, 0.64, 14.39 ppm; 4.89 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 132 + QD1 ILE 129 OK 100 100 100 100 3.8-4.8 11737=99, 9947/10491=82...(23) QG1 VAL 132 - QD1 ILE 129 far 10 100 10 - 5.4-6.6 HG3 LYS 39 - QD1 ILE 129 far 0 81 0 - 9.8-10.7 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 3 assignments used, quality = 1.00: QB ALA 92 + QD1 ILE 129 OK 100 100 100 100 1.8-2.9 9944=89, 9946/4163=43...(26) HG2 LYS 86 - QD1 ILE 129 far 0 99 0 - 8.6-9.9 QB ALA 16 - QD1 ILE 129 far 0 76 0 - 9.2-33.1 Violated in 0 structures by 0.00 A. Peak 10492 from cnoeabs.peaks (2.24, 0.64, 14.39 ppm; 4.14 A): 1 out of 8 assignments used, quality = 0.98: HB3 LEU 96 + QD1 ILE 129 OK 98 98 100 100 2.4-3.1 3.8/9982=47, 11454=46...(28) HB3 GLU 128 - QD1 ILE 129 far 0 83 0 - 5.0-6.2 HG2 GLU 97 - QD1 ILE 129 far 0 68 0 - 5.1-5.8 HG2 GLU 91 - QD1 ILE 129 far 0 87 0 - 5.7-8.0 HB3 GLN 127 - QD1 ILE 129 far 0 85 0 - 6.2-7.2 HB3 GLU 97 - QD1 ILE 129 far 0 60 0 - 7.0-8.0 HG2 GLN 68 - QD1 ILE 129 far 0 93 0 - 7.9-8.9 HB2 GLN 68 - QD1 ILE 129 far 0 68 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 10494 from cnoeabs.peaks (7.13, 3.77, 62.61 ppm; 6.01 A increased from 5.66 A): 1 out of 2 assignments used, quality = 0.99: HE22 GLN 134 + HB3 SER 130 OK 99 99 100 100 4.5-5.9 10626/1.8=98...(6) QD TYR 72 - HB3 SER 130 far 0 73 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 10495 from cnoeabs.peaks (6.89, 3.77, 62.61 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: HE21 GLN 134 + HB3 SER 130 OK 100 100 100 100 5.2-6.8 ~10626=98, 1.7/10494=97...(7) Violated in 1 structures by 0.00 A. Peak 10496 from cnoeabs.peaks (8.47, 3.77, 62.61 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: H VAL 132 + HB3 SER 130 OK 100 100 100 100 5.2-5.7 7910/3.9=92, ~4180=87...(13) H ASP 47 + HB3 SER 130 OK 90 90 100 100 5.0-6.5 3.7/10508=97...(9) 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 7 assignments used, quality = 0.76: HB ILE 129 + HB2 SER 130 OK 76 76 100 100 4.2-5.5 10507/1.8=84...(12) HB2 GLN 134 - HB2 SER 130 far 10 100 10 - 5.4-8.5 HB ILE 129 - HB2 SER 50 far 0 48 0 - 7.8-9.7 HB2 GLU 44 - HB2 SER 130 far 0 100 0 - 8.3-10.1 HG3 ARG 135 - HB2 SER 130 far 0 99 0 - 9.1-10.7 HB3 GLU 40 - HB2 SER 130 far 0 97 0 - 9.9-12.4 HB3 GLU 55 - HB2 SER 50 far 0 60 0 - 9.9-11.5 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 5 assignments used, quality = 1.00: HB2 GLN 127 + HB3 SER 130 OK 100 100 100 100 5.0-5.8 3.0/4181=100, ~4037=27...(6) HG3 GLN 134 + HB3 SER 130 OK 65 65 100 100 4.3-6.5 9127/10509=92...(13) HB2 GLU 128 - HB3 SER 130 lone 9 68 70 19 6.7-7.4 10517/10520=8...(3) HG3 ARG 135 - HB3 SER 130 far 0 78 0 - 8.5-10.6 HB3 GLU 44 - HB3 SER 130 far 0 76 0 - 8.9-10.4 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 2.0-3.6 11718/1.8=91...(10) 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 5 assignments used, quality = 1.00: QD2 LEU 43 + HB3 SER 130 OK 100 100 100 100 3.0-3.5 11805/1.8=93...(29) HG12 ILE 129 - HB3 SER 130 far 0 97 0 - 5.1-7.5 QD2 LEU 96 - HB3 SER 130 far 0 97 0 - 7.0-8.5 QD1 LEU 96 - HB3 SER 130 far 0 96 0 - 8.0-9.4 QG1 VAL 93 - HB3 SER 130 far 0 97 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 10514 from cnoeabs.peaks (2.07, 2.77, 40.87 ppm; 6.51 A): 3 out of 6 assignments used, quality = 1.00: HB2 GLU 128 + HB2 ASP 131 OK 97 97 100 100 5.3-6.0 3.0/4195=100...(14) HG3 GLN 134 + HB2 ASP 131 OK 91 96 95 100 4.4-8.0 ~4193=70, ~4193=69...(14) HB2 GLN 127 + HB2 ASP 131 OK 41 95 100 44 5.0-5.9 4079/4195=26...(4) HB3 LYS 39 - HB2 TYR 76 far 0 73 0 - 8.0-9.3 QE MET 11 - HB2 ASP 131 far 0 60 0 - 8.3-44.4 HG3 PRO 81 - HB2 TYR 76 far 0 61 0 - 9.0-9.9 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 = 0.84: HG3 GLU 128 + HB3 ASP 131 OK 62 63 100 100 4.7-5.5 3.9/4086=84, ~11730=53...(11) HG2 GLU 128 + HB3 ASP 131 OK 56 81 70 100 3.6-6.3 1.8/10449=85...(12) Violated in 0 structures by 0.00 A. Peak 10516 from cnoeabs.peaks (2.26, 2.87, 40.87 ppm; 5.56 A increased from 4.95 A): 1 out of 1 assignment used, quality = 0.78: HB VAL 132 + HB3 ASP 131 OK 78 78 100 100 4.9-5.4 2.1/10518=99...(14) Violated in 0 structures by 0.00 A. Peak 10517 from cnoeabs.peaks (2.06, 2.87, 40.87 ppm; 5.79 A): 3 out of 5 assignments used, quality = 0.98: HB2 GLU 128 + HB3 ASP 131 OK 81 85 95 100 5.7-6.4 3.0/4086=97...(12) HG3 GLN 134 + HB3 ASP 131 OK 79 83 95 100 4.4-8.3 ~4193=57, ~4193=56...(13) HG3 ARG 135 + HB3 ASP 131 OK 54 60 100 90 4.8-6.3 10525/7915=64...(5) HB2 GLN 127 - HB3 ASP 131 far 0 100 0 - 6.5-7.5 QE MET 11 - HB3 ASP 131 far 0 81 0 - 8.0-43.9 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 = 0.95: QG2 VAL 132 + HB3 ASP 131 OK 93 93 100 100 2.7-3.2 11161/1.8=79...(22) QG1 VAL 132 + HB3 ASP 131 OK 25 99 25 100 4.9-5.0 4.0/7915=58, ~11161=53...(16) HG2 LYS 39 - HB3 ASP 131 far 0 97 0 - 9.9-12.1 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 3.8-3.9 3.0/7915=100...(13) Violated in 0 structures by 0.00 A. Peak 10520 from cnoeabs.peaks (3.79, 2.87, 40.87 ppm; 6.10 A increased from 5.74 A): 3 out of 7 assignments used, quality = 0.99: HA SER 130 + HB3 ASP 131 OK 93 93 100 100 6.0-6.2 3.6/7904=99...(11) HB3 SER 130 + HB3 ASP 131 OK 78 78 100 100 5.4-6.1 4.6/7904=90...(11) HB2 SER 130 + HB3 ASP 131 OK 20 68 30 99 5.9-7.1 4.6/7904=90...(8) HA VAL 133 - HB3 ASP 131 far 0 60 0 - 7.1-7.3 HB2 SER 9 - HB3 ASP 131 far 0 99 0 - 7.8-52.8 HB3 SER 9 - HB3 ASP 131 far 0 98 0 - 8.0-51.7 HA LEU 43 - HB3 ASP 131 far 0 92 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 10526 from cnoeabs.peaks (2.03, 3.52, 66.53 ppm; 4.29 A): 1 out of 6 assignments used, quality = 1.00: HG3 ARG 135 + HA VAL 132 OK 100 100 100 100 1.8-2.6 11783=99, 1.8/10527=79...(26) HB2 GLN 134 - HA VAL 132 far 0 95 0 - 5.7-7.4 QE MET 11 - HA VAL 132 far 0 99 0 - 7.4-42.7 HG3 PRO 81 - HA VAL 132 far 0 87 0 - 7.4-9.9 HG2 ARG 90 - HA VAL 132 far 0 97 0 - 9.8-10.7 HB3 MET 11 - HA VAL 132 far 0 97 0 - 10.0-48.3 Violated in 0 structures by 0.00 A. Peak 10527 from cnoeabs.peaks (1.71, 3.52, 66.53 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: HG2 ARG 135 + HA VAL 132 OK 100 100 100 100 1.9-3.2 10019=97, 1.8/11783=85...(26) HB ILE 80 - HA VAL 132 far 0 68 0 - 8.7-9.3 HD3 LYS 39 - HA VAL 132 far 0 100 0 - 8.7-10.7 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 1 assignment used, quality = 1.00: HB2 ASP 131 + HA VAL 132 OK 100 100 100 100 5.3-5.5 7914/3.0=99...(15) 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 4 assignments used, quality = 0.99: HD2 ARG 135 + HA VAL 132 OK 99 99 100 100 2.5-4.0 10636=90, 1.8/10530=76...(25) HE3 LYS 39 - HA VAL 132 far 0 100 0 - 7.6-10.0 HE2 LYS 39 - HA VAL 132 far 0 100 0 - 7.6-10.5 HE3 LYS 86 - HA VAL 132 far 0 65 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 10530 from cnoeabs.peaks (3.24, 3.52, 66.53 ppm; 4.69 A): 1 out of 5 assignments used, quality = 0.97: HD3 ARG 135 + HA VAL 132 OK 97 97 100 100 2.0-4.0 10635=96, 1.8/10529=90...(25) HB3 PHE 87 - HA VAL 132 far 0 97 0 - 8.7-11.0 HB2 HIS 5 - HA VAL 132 far 0 96 0 - 8.8-64.5 HB3 HIS 10 - HA VAL 132 far 0 97 0 - 8.9-48.0 HB2 PHE 87 - HA VAL 132 far 0 93 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 10531 from cnoeabs.peaks (0.81, 1.13, 22.77 ppm; 3.81 A increased from 3.38 A): 2 out of 13 assignments used, quality = 0.91: QG2 ILE 80 + QG1 VAL 132 OK 84 100 85 99 3.8-4.6 3.1/11656=60...(27) QG2 ILE 129 + QG2 VAL 132 OK 46 46 100 99 3.1-3.9 3.0/10490=41...(28) QG2 ILE 129 - QG1 VAL 132 far 0 95 0 - 4.4-5.0 HG13 ILE 80 - QG1 VAL 132 far 0 92 0 - 4.8-6.0 QG1 VAL 133 - QG1 VAL 132 far 0 63 0 - 5.4-5.8 QG1 VAL 133 - QG2 VAL 132 far 0 27 0 - 5.7-6.0 QG2 ILE 80 - QG2 VAL 132 far 0 52 0 - 5.9-6.6 HG13 ILE 80 - QG2 VAL 132 far 0 44 0 - 6.6-7.2 QD1 LEU 122 - QG2 VAL 132 far 0 53 0 - 9.2-11.3 QD1 LEU 70 - QG2 VAL 132 far 0 49 0 - 9.3-10.3 QD2 LEU 122 - QG2 VAL 132 far 0 35 0 - 9.4-11.6 QD2 LEU 49 - QG2 VAL 132 far 0 47 0 - 9.5-9.9 QD1 LEU 53 - QG2 VAL 132 far 0 44 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 10532 from cnoeabs.peaks (0.81, 2.28, 31.51 ppm; 5.59 A): 4 out of 7 assignments used, quality = 1.00: QG2 ILE 129 + HB VAL 132 OK 95 95 100 100 3.5-4.3 3.2/4126=84, ~10477=64...(19) QG2 ILE 80 + HB VAL 132 OK 84 100 85 100 5.3-6.2 ~11738=71, ~11656=70...(10) HG13 ILE 80 + HB VAL 132 OK 83 92 90 100 5.6-6.3 ~11738=85, ~11656=84...(15) QG1 VAL 133 + HB VAL 132 OK 63 63 100 100 5.1-5.6 2.1/11764=94...(15) QD2 LEU 119 - HB3 PRO 113 poor 14 70 20 - 5.2-7.8 QD1 LEU 103 - HB3 PRO 113 far 0 41 0 - 9.1-11.2 QD1 LEU 53 - HB3 PRO 113 far 0 62 0 - 9.2-12.3 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 1.8-2.1 9861=50, 9861/2.1=33...(27) QB ALA 88 + QG2 VAL 132 OK 52 54 100 97 1.9-2.8 9861=49, 9861/2.1=34...(26) HG2 ARG 84 - QG1 VAL 132 far 0 73 0 - 4.1-7.4 HG3 ARG 84 - QG1 VAL 132 far 0 73 0 - 5.4-7.3 HG2 ARG 84 - QG2 VAL 132 far 0 33 0 - 6.6-9.7 HD2 LYS 95 - QG2 VAL 132 far 0 51 0 - 7.0-10.3 HD3 LYS 86 - QG1 VAL 132 far 0 100 0 - 7.5-7.9 HD2 LYS 86 - QG1 VAL 132 far 0 100 0 - 7.5-8.2 HG LEU 43 - QG2 VAL 132 far 0 41 0 - 7.7-8.4 HG3 ARG 84 - QG2 VAL 132 far 0 33 0 - 7.7-9.7 HD3 LYS 95 - QG2 VAL 132 far 0 53 0 - 8.3-9.9 HG LEU 43 - QG1 VAL 132 far 0 87 0 - 8.3-8.9 HD2 LYS 95 - QG1 VAL 132 far 0 99 0 - 8.6-11.6 HB2 LEU 69 - QG2 VAL 132 far 0 51 0 - 9.0-9.7 HD2 LYS 39 - QG1 VAL 132 far 0 89 0 - 9.2-10.5 HD2 LYS 39 - QG2 VAL 132 far 0 42 0 - 9.4-10.5 HD2 LYS 86 - QG2 VAL 132 far 0 53 0 - 9.5-9.9 HD3 LYS 95 - QG1 VAL 132 far 0 100 0 - 9.5-11.0 HD3 LYS 86 - QG2 VAL 132 far 0 53 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 10534 from cnoeabs.peaks (2.04, 1.13, 22.77 ppm; 4.32 A): 2 out of 16 assignments used, quality = 0.99: HG3 ARG 135 + QG1 VAL 132 OK 98 98 100 100 2.2-3.2 11871/11875=62...(41) HG3 ARG 135 + QG2 VAL 132 OK 50 50 100 100 4.0-4.7 11783/3.2=62, 11591=46...(42) QE MET 11 - QG1 VAL 132 far 0 100 0 - 5.5-34.0 HG2 ARG 90 - QG1 VAL 132 far 0 85 0 - 5.8-6.8 HG3 PRO 81 - QG1 VAL 132 far 0 97 0 - 5.9-8.3 QE MET 11 - QG2 VAL 132 far 0 53 0 - 5.9-34.3 HB2 GLN 134 - QG2 VAL 132 far 0 37 0 - 6.5-7.8 HB3 GLU 91 - QG2 VAL 132 far 0 50 0 - 6.7-7.6 HG2 ARG 90 - QG2 VAL 132 far 0 39 0 - 6.7-7.4 HB2 GLN 134 - QG1 VAL 132 far 0 81 0 - 6.9-8.1 HB2 GLN 127 - QG2 VAL 132 far 0 44 0 - 7.0-8.0 HB3 GLU 91 - QG1 VAL 132 far 0 98 0 - 7.1-7.8 HB3 MET 11 - QG2 VAL 132 far 0 39 0 - 7.8-38.8 HB3 MET 11 - QG1 VAL 132 far 0 85 0 - 7.9-38.3 HG3 PRO 81 - QG2 VAL 132 far 0 49 0 - 8.0-10.0 HB2 GLN 127 - QG1 VAL 132 far 0 92 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 10535 from cnoeabs.peaks (2.71, 1.13, 22.77 ppm; 4.45 A): 2 out of 4 assignments used, quality = 0.95: HB2 ASN 85 + QG1 VAL 132 OK 92 92 100 100 1.7-3.4 1.8/11743=88...(19) HB2 ASN 85 + QG2 VAL 132 OK 38 44 85 100 4.2-6.0 ~11743=59, ~9794=52...(21) HB2 CYS 125 - QG2 VAL 132 far 0 28 0 - 7.4-8.7 HB2 CYS 125 - QG1 VAL 132 far 0 65 0 - 9.5-11.0 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 4.9-5.0 ~11161=66, ~11138=65...(16) HB3 ASP 131 + QG2 VAL 132 OK 27 27 100 100 2.7-3.2 1.8/11161=91...(19) HE3 LYS 95 - QG2 VAL 132 far 0 45 0 - 7.3-8.7 HE2 LYS 95 - QG2 VAL 132 far 0 45 0 - 7.5-9.7 HE3 LYS 95 - QG1 VAL 132 far 0 93 0 - 8.5-9.5 HE2 LYS 95 - QG1 VAL 132 far 0 93 0 - 9.0-10.7 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 = 0.98: HB2 PHE 89 + QG1 VAL 132 OK 96 97 100 100 2.0-2.8 3.0/10539=37...(27) HB2 PHE 89 + QG2 VAL 132 OK 48 48 100 99 3.4-4.2 ~11650=28, ~11943=28...(28) HB3 CYS 73 - QG2 VAL 132 far 0 41 0 - 7.2-8.2 HB3 CYS 73 - QG1 VAL 132 far 0 87 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 10538 from cnoeabs.peaks (3.78, 1.13, 22.77 ppm; 5.21 A): 4 out of 14 assignments used, quality = 0.99: HA VAL 133 + QG1 VAL 132 OK 96 96 100 100 4.1-4.4 9726/11656=79...(27) HA SER 130 + QG2 VAL 132 OK 52 53 100 98 4.7-5.5 3.6/11651=68...(11) HA VAL 133 + QG2 VAL 132 OK 47 47 100 100 5.2-5.4 11750/3.2=73, ~7929=63...(25) HB3 SER 130 + QG2 VAL 132 OK 21 52 45 89 5.5-6.2 4.6/11651=56...(8) HA ARG 90 - QG2 VAL 132 far 0 44 0 - 6.2-6.9 HA ARG 90 - QG1 VAL 132 far 0 92 0 - 6.3-7.0 HA SER 130 - QG1 VAL 132 far 0 100 0 - 6.5-6.8 HB3 SER 9 - QG2 VAL 132 far 0 30 0 - 7.0-41.3 HB2 SER 9 - QG2 VAL 132 far 0 31 0 - 7.5-42.2 HA LEU 43 - QG2 VAL 132 far 0 53 0 - 7.7-8.5 HB3 SER 130 - QG1 VAL 132 far 0 100 0 - 7.8-8.2 HB3 SER 9 - QG1 VAL 132 far 0 68 0 - 8.1-42.7 HB2 SER 9 - QG1 VAL 132 far 0 71 0 - 8.7-43.5 HA LEU 43 - QG1 VAL 132 far 0 100 0 - 9.1-9.5 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 5 assignments used, quality = 0.98: HA PHE 89 + QG1 VAL 132 OK 96 97 100 100 2.8-3.4 3.0/10537=38, 9873=37...(32) HA PHE 89 + QG2 VAL 132 OK 48 48 100 100 2.2-3.1 2897/9947=42, 9873=38...(33) HA ILE 80 - QG1 VAL 132 far 0 63 0 - 6.3-7.1 HA ILE 80 - QG2 VAL 132 far 0 27 0 - 8.2-8.7 HA CYS 79 - QG1 VAL 132 far 0 98 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 10540 from cnoeabs.peaks (4.23, 1.13, 22.77 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.97: HA ARG 84 + QG1 VAL 132 OK 85 85 100 100 5.6-6.0 3.6/10545=98...(8) HA ALA 88 + QG1 VAL 132 OK 71 71 100 100 3.9-4.4 ~11661=83, ~9857=75...(21) HA ALA 88 + QG2 VAL 132 OK 31 31 100 100 4.0-4.7 ~11661=83, ~9857=75...(21) HA ARG 84 - QG2 VAL 132 far 0 39 0 - 7.6-8.2 HA SER 124 - QG2 VAL 132 far 0 47 0 - 8.4-8.9 HA SER 94 - QG2 VAL 132 far 0 53 0 - 9.5-10.2 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 1.9-2.1 3.0/11743=60...(21) HA ASN 85 + QG2 VAL 132 OK 48 48 100 99 4.1-4.5 2750/9861=36, ~10545=36...(22) Violated in 0 structures by 0.00 A. Peak 10542 from cnoeabs.peaks (7.29, 3.52, 66.53 ppm; 4.97 A): 1 out of 5 assignments used, quality = 0.90: H ARG 135 + HA VAL 132 OK 90 90 100 100 3.5-4.0 10624=85, 7984/11783=63...(16) H ASN 85 - HA VAL 132 far 0 73 0 - 6.3-6.8 QE PHE 87 - HA VAL 132 far 0 78 0 - 7.5-12.4 QD PHE 87 - HA VAL 132 far 0 81 0 - 8.2-10.3 HZ PHE 89 - HA VAL 132 far 0 98 0 - 8.4-9.6 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 2.2-4.5 11868=100, 11875/3.2=75...(17) QD PHE 89 + HA VAL 132 OK 29 96 30 100 4.8-5.6 11650/3.0=64...(21) Violated in 0 structures by 0.00 A. Peak 10544 from cnoeabs.peaks (7.84, 1.13, 22.77 ppm; 4.64 A): 3 out of 4 assignments used, quality = 0.92: H ALA 88 + QG1 VAL 132 OK 78 78 100 100 3.2-3.7 3.0/10533=59...(20) H ALA 92 + QG2 VAL 132 OK 43 43 100 99 4.5-5.1 3.0/9947=79, 9933=68...(10) H ALA 88 + QG2 VAL 132 OK 35 35 100 100 4.5-5.1 3.0/9861=46, ~10533=37...(20) H ALA 92 - QG1 VAL 132 far 0 90 0 - 5.5-6.0 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 10 assignments used, quality = 0.96: H ASN 85 + QG1 VAL 132 OK 96 97 100 99 4.0-4.2 3.6/11743=57...(18) HE ARG 84 - QG1 VAL 132 far 3 68 5 - 3.6-9.3 QE PHE 87 - QG1 VAL 132 far 0 99 0 - 5.0-8.4 HE ARG 84 - QG2 VAL 132 far 0 30 0 - 5.6-11.6 QE PHE 87 - QG2 VAL 132 far 0 51 0 - 6.0-9.6 HZ PHE 89 - QG2 VAL 132 far 0 34 0 - 6.2-6.9 HZ PHE 89 - QG1 VAL 132 far 0 76 0 - 6.4-7.3 H ASN 85 - QG2 VAL 132 far 0 49 0 - 6.5-6.8 HD2 HIS 10 - QG2 VAL 132 far 0 44 0 - 7.8-40.7 HD2 HIS 10 - QG1 VAL 132 far 0 92 0 - 9.8-42.1 Violated in 1 structures by 0.00 A. Peak 10546 from cnoeabs.peaks (7.07, 1.13, 22.77 ppm; 3.59 A increased from 3.38 A): 3 out of 4 assignments used, quality = 1.00: QD PHE 89 + QG1 VAL 132 OK 100 100 100 100 2.8-3.6 11650/2.1=48...(33) QD PHE 89 + QG2 VAL 132 OK 53 53 100 100 3.3-4.1 11650/2.1=48...(34) HE ARG 135 + QG1 VAL 132 OK 29 96 30 100 1.9-5.1 11875=85, 11868/3.2=40...(23) HE ARG 135 - QG2 VAL 132 poor 9 47 20 - 3.9-5.9 Violated in 0 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 8 assignments used, quality = 1.00: H PHE 89 + QG2 VAL 132 OK 100 100 100 100 3.1-4.2 9867=51, 9867/2.1=42...(24) H PHE 89 + QG1 VAL 132 OK 53 53 100 100 2.1-3.1 9867=48, 9869/11738=46...(23) H HIS 10 - QG2 VAL 132 far 0 60 0 - 5.8-40.1 H HIS 8 - QG2 VAL 132 far 0 71 0 - 6.5-45.6 H HIS 10 - QG1 VAL 132 far 0 26 0 - 7.0-41.5 H HIS 8 - QG1 VAL 132 far 0 31 0 - 8.5-46.9 H HIS 7 - QG2 VAL 132 far 0 96 0 - 8.5-48.7 H LYS 39 - QG1 VAL 132 far 0 53 0 - 10.0-10.8 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 1.8-1.9 2.2/10554=60...(24) Violated in 0 structures by 0.00 A. Peak 10553 from cnoeabs.peaks (7.30, 1.04, 23.73 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: HZ PHE 89 + QG2 VAL 133 OK 100 100 100 100 2.4-3.8 2.2/10552=82...(15) H ARG 135 - QG2 VAL 133 far 0 99 0 - 4.9-5.3 QD PHE 87 - QG2 VAL 133 far 0 96 0 - 8.9-10.3 Violated in 0 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 2.0-3.4 2.2/10552=82...(20) HE ARG 135 - QG2 VAL 133 far 0 73 0 - 6.3-8.3 Violated in 0 structures by 0.00 A. Peak 10555 from cnoeabs.peaks (6.46, 1.04, 23.73 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.97: QE TYR 76 + QG2 VAL 133 OK 97 98 100 99 1.8-2.4 10558/2.1=67, 9631=49...(23) Violated in 0 structures by 0.00 A. Peak 10556 from cnoeabs.peaks (7.32, 0.84, 22.13 ppm; 4.90 A increased from 4.61 A): 2 out of 2 assignments used, quality = 1.00: H ARG 135 + QG1 VAL 133 OK 100 100 100 100 4.1-4.8 7972/4250=80...(14) HZ PHE 89 + QG1 VAL 133 OK 29 97 30 100 4.7-5.9 10553/2.1=83...(11) Violated in 0 structures by 0.00 A. Peak 10557 from cnoeabs.peaks (7.07, 0.84, 22.13 ppm; 5.17 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 89 + QG1 VAL 133 OK 100 100 100 100 4.5-5.2 10554/2.1=95...(14) HE ARG 135 - QG1 VAL 133 far 0 95 0 - 6.7-8.4 Violated in 1 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 1.9-3.7 10555/2.1=73...(20) Violated in 1 structures by 0.00 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 2.9-3.7 10555/3.2=83...(17) Violated in 0 structures by 0.00 A. Peak 10560 from cnoeabs.peaks (7.32, 3.77, 65.08 ppm; 5.09 A): 1 out of 3 assignments used, quality = 1.00: H ARG 135 + HA VAL 133 OK 100 100 100 100 3.6-4.0 7972/3.6=89...(10) HZ PHE 89 - HA VAL 133 far 5 97 5 - 5.3-7.3 QD PHE 87 - HA VAL 133 far 0 100 0 - 10.0-11.9 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 94 95 100 100 4.0-4.9 9631/2.1=91, 9624/3.0=83...(10) QD TYR 76 + HB VAL 133 OK 89 89 100 100 5.3-5.8 ~10555=97, ~10555=96...(22) Violated in 0 structures by 0.00 A. Peak 10562 from cnoeabs.peaks (8.04, 1.04, 23.73 ppm; 5.16 A increased from 4.58 A): 1 out of 4 assignments used, quality = 1.00: H SER 130 + QG2 VAL 133 OK 100 100 100 100 4.2-5.4 2.9/11861=80...(18) H TYR 76 - QG2 VAL 133 far 0 99 0 - 5.9-6.7 H CYS 79 - QG2 VAL 133 far 0 99 0 - 6.3-7.3 H LEU 48 - QG2 VAL 133 far 0 98 0 - 9.6-10.6 Violated in 3 structures by 0.02 A. Peak 10563 from cnoeabs.peaks (8.27, 1.04, 23.73 ppm; 4.83 A increased from 4.55 A): 2 out of 5 assignments used, quality = 0.99: H LEU 43 + QG2 VAL 133 OK 94 95 100 100 4.3-4.9 1338/10587=75...(16) H ASP 131 + QG2 VAL 133 OK 75 100 75 100 4.5-6.1 7925/7935=67...(16) H GLU 40 - QG2 VAL 133 far 0 99 0 - 6.2-6.8 H VAL 126 - QG2 VAL 133 far 0 90 0 - 9.2-10.2 H LEU 69 - QG2 VAL 133 far 0 73 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 10564 from cnoeabs.peaks (8.47, 1.04, 23.73 ppm; 5.11 A increased from 4.81 A): 1 out of 3 assignments used, quality = 1.00: H VAL 132 + QG2 VAL 133 OK 100 100 100 100 3.8-5.4 3.3/7935=91...(21) H ASP 47 - QG2 VAL 133 far 0 87 0 - 7.7-8.6 H LEU 70 - QG2 VAL 133 far 0 97 0 - 9.6-10.0 Violated in 1 structures by 0.02 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 5.2-5.4 10564/3.2=88...(20) 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 = 0.99: HA ILE 129 + QG2 VAL 133 OK 95 96 100 100 4.0-4.9 10479=52, 3.6/10562=49...(17) HA VAL 77 + QG2 VAL 133 OK 88 100 90 98 4.7-5.3 9725/10588=70...(14) HA LEU 42 - QG2 VAL 133 far 0 68 0 - 5.8-6.3 HA VAL 126 - QG2 VAL 133 far 0 90 0 - 7.1-8.0 Violated in 0 structures by 0.00 A. Peak 10567 from cnoeabs.peaks (1.17, 1.04, 23.73 ppm; 3.14 A): 0 out of 4 assignments used, quality = 0.00: HG3 LYS 39 - QG2 VAL 133 poor 20 98 20 - 3.2-4.5 QG2 VAL 132 - QG2 VAL 133 far 3 65 5 - 3.7-5.2 QG2 VAL 77 - QG2 VAL 133 far 0 90 0 - 4.9-5.4 QB ALA 41 - QG2 VAL 133 far 0 100 0 - 6.4-7.1 Violated in 20 structures by 0.37 A. Peak 10568 from cnoeabs.peaks (1.48, 1.04, 23.73 ppm; 4.75 A increased from 4.47 A): 1 out of 3 assignments used, quality = 0.99: HG LEU 42 + QG2 VAL 133 OK 99 99 100 100 4.3-4.6 2.1/10587=98...(19) HG3 LYS 86 - QG2 VAL 133 far 0 100 0 - 6.2-8.5 HB2 LEU 49 - QG2 VAL 133 far 0 87 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 10569 from cnoeabs.peaks (1.67, 1.04, 23.73 ppm; 4.19 A): 1 out of 6 assignments used, quality = 0.65: HG LEU 43 + QG2 VAL 133 OK 65 65 100 100 3.5-4.2 2.1/11090=85...(21) HD2 LYS 39 - QG2 VAL 133 far 0 99 0 - 5.3-6.6 QB ALA 88 - QG2 VAL 133 far 0 98 0 - 6.2-6.8 HB2 LEU 69 - QG2 VAL 133 far 0 100 0 - 7.8-8.3 HD2 LYS 86 - QG2 VAL 133 far 0 97 0 - 7.9-8.7 HD3 LYS 86 - QG2 VAL 133 far 0 97 0 - 8.6-9.4 Violated in 1 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 4.3-5.1 10576/2.1=79...(21) HB3 CYS 79 - QG2 VAL 133 far 0 68 0 - 6.5-7.8 Violated in 4 structures by 0.02 A. Peak 10571 from cnoeabs.peaks (2.97, 1.04, 23.73 ppm; 5.93 A): 0 out of 3 assignments used, quality = 0.00: HD2 ARG 135 - QG2 VAL 133 far 3 60 5 - 6.3-8.0 HE3 LYS 86 - QG2 VAL 133 far 0 99 0 - 6.8-9.2 HB2 CYS 45 - QG2 VAL 133 far 0 71 0 - 7.6-8.4 Violated in 19 structures by 0.56 A. Peak 10572 from cnoeabs.peaks (1.66, 0.84, 22.13 ppm; 3.66 A): 2 out of 8 assignments used, quality = 0.98: HD2 LYS 39 + QG1 VAL 133 OK 88 90 100 98 3.3-4.1 1.8/11768=39...(19) HG LEU 43 + QG1 VAL 133 OK 85 85 100 100 1.9-3.1 2.1/11679=81...(22) QB ALA 88 - QG1 VAL 133 far 0 100 0 - 7.7-8.1 HD2 LYS 86 - QG1 VAL 133 far 0 100 0 - 8.8-11.1 HG2 ARG 84 - QG1 VAL 133 far 0 71 0 - 8.9-12.4 HB2 LEU 69 - QG1 VAL 133 far 0 99 0 - 9.3-9.9 HD3 LYS 86 - QG1 VAL 133 far 0 100 0 - 9.6-11.2 HG3 ARG 84 - QG1 VAL 133 far 0 71 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 10573 from cnoeabs.peaks (1.33, 0.84, 22.13 ppm; 4.40 A): 0 out of 1 assignment used, quality = 0.00: QB ALA 46 - QG1 VAL 133 far 10 96 10 - 4.9-5.6 Violated in 20 structures by 0.93 A. Peak 10574 from cnoeabs.peaks (2.04, 0.84, 22.13 ppm; 4.80 A increased from 4.52 A): 2 out of 7 assignments used, quality = 0.96: HG3 PRO 81 + QG1 VAL 133 OK 87 98 100 89 4.3-4.8 ~11757=52, 10575/2.1=27...(10) HB2 GLN 134 + QG1 VAL 133 OK 67 78 85 100 4.2-5.8 1.8/11765=84...(19) HG3 ARG 135 - QG1 VAL 133 far 0 97 0 - 5.7-6.7 HB3 GLU 40 - QG1 VAL 133 far 0 99 0 - 6.7-7.3 HB2 GLU 44 - QG1 VAL 133 far 0 85 0 - 8.9-9.5 HG2 ARG 90 - QG1 VAL 133 far 0 83 0 - 9.3-10.3 HB2 GLN 127 - QG1 VAL 133 far 0 93 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 10575 from cnoeabs.peaks (2.05, 1.04, 23.73 ppm; 5.89 A increased from 4.71 A): 2 out of 8 assignments used, quality = 1.00: HG3 PRO 81 + QG2 VAL 133 OK 99 100 100 100 4.8-6.4 2.3/11757=96...(13) HG3 ARG 135 + QG2 VAL 133 OK 88 93 100 95 5.4-6.3 7984/10632=69...(7) HB2 GLN 134 - QG2 VAL 133 far 10 68 15 - 5.9-6.8 HG2 ARG 90 - QG2 VAL 133 far 0 73 0 - 7.0-8.0 HB3 GLU 40 - QG2 VAL 133 far 0 97 0 - 8.3-8.7 HB2 GLN 127 - QG2 VAL 133 far 0 97 0 - 9.0-10.3 HB2 GLU 44 - QG2 VAL 133 far 0 76 0 - 9.6-10.2 QE MET 11 - QG2 VAL 133 far 0 99 0 - 9.7-32.8 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 2.1-4.4 10597=98, 9124/11777=81...(21) Violated in 0 structures by 0.00 A. Peak 10577 from cnoeabs.peaks (2.96, 0.84, 22.13 ppm; 3.98 A): 2 out of 6 assignments used, quality = 0.87: HE2 LYS 39 + QG1 VAL 133 OK 70 71 100 98 1.8-4.0 10571/2.1=54...(18) HE3 LYS 39 + QG1 VAL 133 OK 58 60 100 97 2.5-4.2 ~10571=41, 2.9/11768=35...(16) HD2 ARG 135 - QG1 VAL 133 far 0 87 0 - 6.7-8.2 HG CYS 73 - QG1 VAL 133 far 0 83 0 - 6.9-8.5 HE3 LYS 86 - QG1 VAL 133 far 0 100 0 - 7.8-11.2 HB2 CYS 45 - QG1 VAL 133 far 0 93 0 - 7.9-8.6 Violated in 0 structures by 0.00 A. Peak 10578 from cnoeabs.peaks (3.40, 0.84, 22.13 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 39 + QG1 VAL 133 OK 100 100 100 100 1.9-3.0 9053=95, 10870/10585=72...(22) Violated in 0 structures by 0.00 A. Peak 10579 from cnoeabs.peaks (2.92, 1.04, 23.73 ppm; 6.44 A): 3 out of 5 assignments used, quality = 1.00: HE3 LYS 39 + QG2 VAL 133 OK 100 100 100 100 4.9-5.8 ~10577=52, ~11768=49...(19) HE2 LYS 39 + QG2 VAL 133 OK 99 99 100 100 4.2-5.5 ~11768=49, ~10577=48...(21) HG CYS 73 + QG2 VAL 133 OK 78 95 100 83 5.2-6.5 9186/11766=38...(5) HD2 ARG 135 - QG2 VAL 133 far 9 92 10 - 6.3-8.0 HB2 CYS 45 - QG2 VAL 133 far 0 85 0 - 7.6-8.4 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 2.6-2.9 10587/2.1=75...(33) Violated in 0 structures by 0.00 A. Peak 10586 from cnoeabs.peaks (0.25, 0.84, 22.13 ppm; 5.03 A increased from 4.47 A): 1 out of 1 assignment used, quality = 0.89: QD1 ILE 80 + QG1 VAL 133 OK 89 89 100 100 3.9-5.0 10588/2.1=69...(28) Violated in 0 structures by 0.00 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 1.8-2.1 2.1/11676=58...(27) Violated in 0 structures by 0.00 A. Peak 10588 from cnoeabs.peaks (0.27, 1.04, 23.73 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + QG2 VAL 133 OK 100 100 100 100 2.7-3.2 9746/10555=62...(36) QG2 VAL 93 - QG2 VAL 133 far 0 92 0 - 4.8-5.3 Violated in 0 structures by 0.00 A. Peak 10590 from cnoeabs.peaks (0.27, 3.77, 65.08 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HA VAL 133 OK 100 100 100 100 3.6-4.0 9726=90, 10588/3.2=86...(23) QG2 VAL 93 - HA VAL 133 far 0 87 0 - 7.3-8.2 Violated in 0 structures by 0.00 A. Peak 10594 from cnoeabs.peaks (1.70, 2.65, 35.91 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 39 + HG2 GLN 134 OK 85 87 100 98 4.2-7.1 2.9/10603=46...(13) HD2 LYS 39 + HG2 GLN 134 OK 84 87 100 97 4.6-6.7 2.9/10603=46...(11) HG2 ARG 135 + HG2 GLN 134 OK 84 92 95 96 5.4-7.9 7983/7976=88...(4) 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 4.3-5.1 2.1/10576=89, 10570=87...(21) 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 2 assignments used, quality = 1.00: QD2 LEU 43 + HG2 GLN 134 OK 100 100 100 100 1.8-2.5 9124=98, 9127/1.8=85...(30) HG12 ILE 129 - HG2 GLN 134 far 0 100 0 - 8.7-10.2 Violated in 0 structures by 0.00 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 2.1-4.4 10576=98, 11777/9124=74...(21) QG2 ILE 129 - HG2 GLN 134 far 0 81 0 - 6.6-7.5 HG13 ILE 80 - HG2 GLN 134 far 0 85 0 - 8.4-9.6 QG2 ILE 80 - HG2 GLN 134 far 0 60 0 - 8.6-9.5 QD2 LEU 69 - HG2 GLN 134 far 0 65 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 10598 from cnoeabs.peaks (1.65, 2.08, 35.91 ppm; 6.44 A): 2 out of 3 assignments used, quality = 1.00: HG LEU 43 + HG3 GLN 134 OK 99 99 100 100 4.4-6.5 2.1/11685=100...(24) HD2 LYS 39 + HG3 GLN 134 OK 29 60 50 95 4.1-8.1 2.9/10602=44...(8) QB ALA 88 - HG3 GLN 134 far 0 96 0 - 8.5-10.8 Violated in 0 structures by 0.00 A. Peak 10599 from cnoeabs.peaks (1.05, 2.08, 35.91 ppm; 5.71 A increased from 5.37 A): 1 out of 1 assignment used, quality = 0.99: QG2 VAL 133 + HG3 GLN 134 OK 99 99 100 100 4.7-5.7 10570/1.8=94...(25) Violated in 1 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 1.9-4.8 2.1/11685=85...(20) Violated in 2 structures by 0.01 A. Peak 10601 from cnoeabs.peaks (0.83, 2.08, 35.91 ppm; 5.37 A increased from 5.05 A): 1 out of 4 assignments used, quality = 1.00: QG1 VAL 133 + HG3 GLN 134 OK 100 100 100 100 2.9-5.2 10576/1.8=93...(22) QG2 ILE 129 - HG3 GLN 134 far 0 93 0 - 7.3-8.2 QG2 ILE 80 - HG3 GLN 134 far 0 78 0 - 8.9-10.2 HG13 ILE 80 - HG3 GLN 134 far 0 96 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 10602 from cnoeabs.peaks (2.93, 2.08, 35.91 ppm; 5.78 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 39 + HG3 GLN 134 OK 98 100 100 98 3.4-5.7 9120/10600=38...(14) HE2 LYS 39 + HG3 GLN 134 OK 89 100 90 99 2.3-6.6 10571/10599=53...(14) HD2 ARG 135 - HG3 GLN 134 far 10 99 10 - 4.3-9.5 Violated in 0 structures by 0.00 A. Peak 10603 from cnoeabs.peaks (2.95, 2.65, 35.91 ppm; 5.92 A): 2 out of 3 assignments used, quality = 0.98: HE2 LYS 39 + HG2 GLN 134 OK 88 89 100 100 2.1-5.6 10571/10570=66...(17) HE3 LYS 39 + HG2 GLN 134 OK 80 81 100 99 3.4-5.3 9120/9121=43...(17) HD2 ARG 135 - HG2 GLN 134 far 10 97 10 - 5.8-9.1 Violated in 0 structures by 0.00 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 3.5-4.4 11747/9124=72...(12) HA LEU 43 + HG2 GLN 134 OK 84 97 90 97 5.2-6.2 3.9/9124=76, 4.1/9121=72...(5) HB3 SER 130 + HG2 GLN 134 OK 76 87 95 93 4.1-5.9 10509/9124=58...(8) HA VAL 133 + HG2 GLN 134 OK 71 71 100 100 4.9-5.5 3.6/7950=86...(14) 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: HB2 SER 130 + HG3 GLN 134 OK 85 85 100 100 3.3-6.6 10626/3.5=98...(10) HA SER 130 + HG3 GLN 134 OK 80 81 100 99 4.0-5.6 11863/10601=67...(14) HA LEU 43 + HG3 GLN 134 OK 74 78 95 100 6.1-7.5 3.9/11685=97...(6) HB3 SER 130 + HG3 GLN 134 OK 56 60 100 93 4.3-6.5 10509/10601=43...(11) 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 1.9-5.2 11867=99, 11872/3.0=87...(12) QD PHE 89 - HA ARG 135 far 0 90 0 - 8.5-9.3 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 1.8-4.0 5.1=100 QD PHE 89 - HB2 ARG 135 far 5 100 5 - 6.5-9.1 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=77...(8) QD PHE 89 - HG2 ARG 135 far 0 100 0 - 6.1-8.0 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 2.2-3.6 4.0=100 QD PHE 89 - HG3 ARG 135 far 0 93 0 - 5.8-6.9 QD PHE 89 - HG3 PRO 81 far 0 52 0 - 7.3-8.8 HE ARG 135 - HG3 PRO 81 far 0 61 0 - 7.8-10.7 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 2.7-2.8 2.9=100 QD PHE 89 - HD2 ARG 135 far 0 81 0 - 7.3-8.8 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 far 0 100 0 - 5.8-9.4 Violated in 20 structures by 3.12 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 2.7-2.9 2.9=100 QD PHE 89 - HD3 ARG 135 far 0 81 0 - 6.8-8.9 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 far 0 99 0 - 6.1-9.3 Violated in 20 structures by 3.67 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 3 assignments used, quality = 0.71: HD22 ASN 85 + HD3 ARG 135 OK 71 71 100 100 3.5-5.8 1.7/11885=99, ~9800=68...(10) H PHE 87 - HD3 ARG 135 far 0 98 0 - 7.5-9.9 H GLU 91 - HD3 ARG 135 far 0 87 0 - 9.8-12.1 Violated in 0 structures by 0.00 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 2.0-4.0 10530=96, 10529/1.8=82...(25) 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 2.5-4.0 10529=97, 10530/1.8=76...(25) Violated in 0 structures by 0.00 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 3.9-4.6 11797=77, 10019/2.9=73...(20) 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 3 assignments used, quality = 1.00: QG1 VAL 132 + HD3 ARG 135 OK 100 100 100 100 2.4-4.4 11875/2.9=72...(35) QG2 VAL 132 + HD3 ARG 135 OK 85 100 85 100 3.3-5.7 3.2/10635=61...(33) HG2 LYS 39 - HD3 ARG 135 far 0 100 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 10643 from cnoeabs.peaks (7.27, 3.25, 28.77 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: HD2 HIS 10 + HB3 HIS 10 OK 100 100 100 100 2.7-4.0 3.9=100 QE PHE 87 - HB3 HIS 10 far 0 99 0 - 5.2-44.4 HE ARG 84 - HB3 HIS 10 far 0 97 0 - 9.6-53.9 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 5 assignments used, quality = 1.00: HD2 HIS 10 + HA HIS 10 OK 100 100 100 100 2.4-4.8 4.7=100 HD2 HIS 10 - HA HIS 8 poor 17 85 20 - 6.1-10.8 QE PHE 87 - HA HIS 10 far 14 97 15 - 5.1-45.5 HE ARG 84 - HA HIS 8 far 0 83 0 - 8.8-62.3 HE ARG 84 - HA HIS 10 far 0 99 0 - 9.2-55.1 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 6 assignments used, quality = 1.00: HD2 HIS 10 + HB2 HIS 10 OK 100 100 100 100 2.7-4.0 3.9=100 QE PHE 87 - HB2 HIS 10 far 0 100 0 - 5.1-45.9 HE ARG 84 - HB3 HIS 6 far 0 43 0 - 7.6-67.7 HE ARG 84 - HB2 HIS 6 far 0 26 0 - 9.0-68.0 HD2 HIS 10 - HB3 HIS 6 far 0 52 0 - 9.8-16.9 HD2 HIS 10 - HB2 HIS 6 far 0 32 0 - 9.8-18.4 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 6 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 HIS 5 far 3 68 5 - 4.8-36.4 QB ALA 21 - HA MET 11 far 0 100 0 - 6.5-21.3 HG2 LYS 19 - HA MET 11 far 0 85 0 - 6.8-25.4 QB ALA 46 - HA HIS 5 far 0 68 0 - 7.9-50.0 HG2 LYS 19 - HA HIS 5 far 0 51 0 - 8.9-45.1 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 4 assignments used, quality = 0.00: QG1 VAL 20 - HB3 MET 11 far 0 100 0 - 6.6-20.7 QG2 VAL 20 - HB3 MET 11 far 0 97 0 - 8.0-21.7 QD1 LEU 22 - HB3 MET 11 far 0 99 0 - 8.8-24.7 QD2 LEU 98 - HB3 MET 11 far 0 68 0 - 9.0-32.8 Violated in 20 structures by 8.92 A. Peak 10654 from cnoeabs.peaks (1.37, 4.66, 53.15 ppm; 5.46 A): 2 out of 6 assignments used, quality = 0.97: QB ALA 12 + HA ASN 13 OK 95 95 100 100 4.0-4.6 5.0=100 QB ALA 15 + HA ASN 13 OK 45 97 55 83 4.6-6.8 10659/6106=74...(3) HG2 LYS 95 - HA ASN 13 far 5 92 5 - 5.4-45.3 HG3 LYS 95 - HA ASN 13 far 0 95 0 - 6.2-43.7 HG2 LYS 19 - HA ASN 13 far 0 99 0 - 7.3-18.4 HG3 LYS 31 - HA ASN 13 far 0 87 0 - 9.0-34.6 Violated in 0 structures by 0.00 A. Peak 10656 from cnoeabs.peaks (1.37, 2.77, 38.79 ppm; 5.23 A increased from 4.92 A): 1 out of 5 assignments used, quality = 0.94: QB ALA 12 + HB3 ASN 13 OK 94 95 100 99 4.1-5.1 3.7/6088=88...(5) QB ALA 15 - HB3 ASN 13 poor 18 97 25 74 4.9-8.3 10659/6108=54...(3) HG2 LYS 19 - HB3 ASN 13 far 5 99 5 - 4.3-18.1 HG2 LYS 95 - HB3 ASN 13 far 0 92 0 - 7.0-44.1 HG3 LYS 95 - HB3 ASN 13 far 0 95 0 - 7.2-42.5 Violated in 0 structures by 0.00 A. Peak 10660 from cnoeabs.peaks (1.37, 3.92, 45.20 ppm; 4.30 A increased from 3.82 A): 4 out of 15 assignments used, quality = 1.00: QB ALA 15 + HA2 GLY 14 OK 97 99 100 99 3.6-4.5 4.9=67, 10659/3.0=48...(10) QB ALA 109 + HA2 GLY 111 OK 68 71 100 96 3.7-4.7 10732/10661=59...(12) QB ALA 15 + HA3 GLY 14 OK 59 99 60 99 4.1-5.0 4.9=67, 10659/3.0=48...(11) QB ALA 110 + HA2 GLY 111 OK 42 78 55 98 4.5-5.1 4.8=70, ~7577=32...(17) QB ALA 12 - HA3 GLY 14 poor 18 92 20 - 3.7-7.3 QB ALA 16 - HA3 GLY 14 poor 11 57 20 - 4.3-7.6 QB ALA 12 - HA2 GLY 14 far 9 92 10 - 3.7-7.8 QB ALA 16 - HA2 GLY 14 far 6 57 10 - 4.3-7.6 QB ALA 108 - HA2 GLY 111 far 0 76 0 - 8.0-9.2 HG2 LYS 95 - HA3 GLY 14 far 0 94 0 - 8.1-46.1 HG2 LYS 19 - HA3 GLY 14 far 0 97 0 - 8.5-15.4 HG3 LYS 95 - HA3 GLY 14 far 0 96 0 - 8.5-44.5 HG2 LYS 95 - HA2 GLY 14 far 0 95 0 - 9.0-45.0 HG2 LYS 19 - HA2 GLY 14 far 0 97 0 - 9.3-14.7 HG3 LYS 95 - HA2 GLY 14 far 0 97 0 - 9.7-43.5 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 9 assignments used, quality = 0.77: QG2 VAL 112 + HA2 GLY 111 OK 77 78 100 98 3.6-4.0 3556/3.6=64...(10) QD1 LEU 62 - HA2 GLY 111 far 3 65 5 - 4.3-7.7 QD1 LEU 119 - HA2 GLY 111 far 0 76 0 - 4.9-7.9 QG1 VAL 20 - HA3 GLY 14 far 0 73 0 - 5.4-13.7 QG1 VAL 57 - HA2 GLY 111 far 0 66 0 - 5.7-6.7 QG1 VAL 20 - HA2 GLY 14 far 0 73 0 - 6.5-13.3 QG2 VAL 63 - HA2 GLY 111 far 0 59 0 - 6.8-9.1 QG1 VAL 105 - HA2 GLY 14 far 0 63 0 - 9.0-33.2 QG1 VAL 105 - HA3 GLY 14 far 0 63 0 - 9.6-34.1 Violated in 4 structures by 0.02 A. Peak 10676 from cnoeabs.peaks (3.93, 4.28, 52.57 ppm; 4.69 A increased from 3.95 A): 5 out of 34 assignments used, quality = 1.00: HA3 GLY 14 + HA ALA 15 OK 88 89 100 99 4.4-4.9 3.0/11760=54...(11) HA2 GLY 14 + HA ALA 15 OK 86 88 100 99 4.3-4.7 3.0/11760=54...(10) HA2 GLY 111 + HA ALA 110 OK 82 90 100 91 4.4-4.8 3.0/7577=59...(10) HB2 SER 107 + HA ALA 108 OK 80 92 90 97 3.8-5.6 7556/3.0=73, ~7557=55...(9) HA3 GLY 111 + HA ALA 110 OK 66 76 100 88 4.3-4.7 3.0/7577=59, ~7578=21...(10) HB3 SER 60 - HA ALA 110 poor 14 70 20 - 3.8-6.8 HB2 SER 60 - HA ALA 108 far 4 73 5 - 5.1-8.8 HB2 SER 60 - HA ALA 110 lone 0 70 40 1 4.2-7.1 HB2 SER 107 - HA ALA 109 far 0 88 0 - 5.4-7.2 HB2 SER 107 - HA ALA 110 far 0 89 0 - 5.6-8.9 HA2 GLY 111 - HA ALA 109 far 0 90 0 - 5.7-7.1 HA3 GLY 14 - HA ALA 12 far 0 81 0 - 5.8-7.8 HA2 GLY 14 - HA ALA 12 far 0 80 0 - 5.9-7.9 HA3 GLY 75 - HA ALA 15 far 0 60 0 - 6.0-34.6 HB3 SER 60 - HA ALA 108 far 0 73 0 - 6.1-9.4 HA3 GLY 14 - HA ALA 16 far 0 98 0 - 6.1-8.2 HA2 GLY 14 - HA ALA 16 far 0 97 0 - 6.3-7.9 HA3 GLY 111 - HA ALA 109 far 0 75 0 - 6.3-7.4 HB2 SER 60 - HA ALA 109 far 0 69 0 - 7.0-10.9 HB2 SER 94 - HA ALA 15 far 0 58 0 - 7.3-41.6 HB3 SER 60 - HA ALA 109 far 0 69 0 - 7.3-11.0 HB2 SER 94 - HA ALA 16 far 0 68 0 - 7.8-41.8 HA2 GLY 111 - HA ALA 108 far 0 93 0 - 7.9-9.5 HB2 SER 94 - HA ALA 12 far 0 51 0 - 8.0-34.2 HD3 PRO 113 - HA ALA 109 far 0 86 0 - 8.3-9.4 HA3 GLY 75 - HA ALA 16 far 0 71 0 - 8.5-34.4 HA3 GLY 111 - HA ALA 108 far 0 79 0 - 8.5-10.0 HD3 PRO 117 - HA ALA 109 far 0 60 0 - 8.8-10.9 HB2 SER 33 - HA ALA 12 far 0 70 0 - 9.0-38.9 HA2 GLY 14 - HA ALA 21 far 0 68 0 - 9.3-17.6 HD3 PRO 113 - HA ALA 110 far 0 87 0 - 9.3-10.0 HB2 SER 33 - HA ALA 15 far 0 78 0 - 9.6-30.8 HA3 GLY 75 - HA ALA 12 far 0 53 0 - 9.7-36.0 HA3 GLY 75 - HA ALA 21 far 0 44 0 - 9.8-25.1 Violated in 0 structures by 0.00 A. Peak 10677 from cnoeabs.peaks (3.92, 1.40, 19.06 ppm; 4.06 A): 2 out of 14 assignments used, quality = 0.59: HA2 GLY 111 + QB ALA 109 OK 41 44 100 92 3.7-4.7 10661/11548=54...(14) HB2 SER 107 + QB ALA 109 OK 30 45 70 95 3.1-5.0 3.0/10852=65...(10) HA3 GLY 14 - QB ALA 16 far 15 99 15 - 4.3-7.6 HA3 GLY 111 - QB ALA 109 poor 13 32 40 - 4.5-5.2 HA2 GLY 14 - QB ALA 16 far 5 99 5 - 4.3-7.6 HA3 GLY 75 - QB ALA 34 lone 0 36 95 1 2.9-4.9 HB2 SER 33 - QB ALA 34 far 0 46 0 - 4.8-5.6 HB2 SER 60 - QB ALA 109 far 0 36 0 - 5.5-8.5 HB3 SER 60 - QB ALA 109 far 0 36 0 - 5.9-8.9 HD3 PRO 113 - QB ALA 109 far 0 40 0 - 5.9-6.7 HD3 PRO 117 - QB ALA 109 far 0 24 0 - 6.5-7.4 HB2 SER 94 - QB ALA 16 far 0 76 0 - 7.1-36.5 HA3 GLY 75 - QB ALA 16 far 0 78 0 - 8.6-30.0 HA3 GLY 14 - QB ALA 34 far 0 52 0 - 10.0-26.1 Violated in 1 structures by 0.00 A. Peak 10679 from cnoeabs.peaks (1.37, 3.96, 45.21 ppm; 4.32 A increased from 4.06 A): 4 out of 12 assignments used, quality = 0.93: QB ALA 110 + HA3 GLY 111 OK 62 64 100 96 3.8-4.4 4.8=70, ~7577=33...(15) HG2 LYS 19 + HA2 GLY 17 OK 59 99 95 62 3.4-5.2 10683/3.6=28...(3) QB ALA 109 + HA3 GLY 111 OK 33 56 65 90 4.5-5.2 10136/3.6=43...(9) HG2 LYS 19 + HA3 GLY 17 OK 33 99 60 55 2.7-5.8 10683/3.6=28...(3) QB ALA 15 - HA3 GLY 17 lone 2 97 40 6 3.7-7.2 6131/3.0=5 QB ALA 15 - HA2 GLY 17 lone 2 97 30 6 3.9-7.3 6131/3.0=5 QB ALA 12 - HA3 GLY 17 far 0 96 0 - 5.9-15.4 QB ALA 12 - HA2 GLY 17 far 0 96 0 - 7.1-15.5 HG3 LYS 31 - HA2 GLY 17 far 0 85 0 - 8.4-29.6 QB ALA 108 - HA3 GLY 111 far 0 62 0 - 8.6-9.5 HG3 LYS 31 - HA3 GLY 17 far 0 85 0 - 9.2-28.5 HG2 LYS 24 - HA3 GLY 17 far 0 99 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 10680 from cnoeabs.peaks (0.92, 3.96, 45.21 ppm; 4.17 A increased from 3.92 A): 3 out of 12 assignments used, quality = 0.84: QG2 VAL 112 + HA3 GLY 111 OK 69 69 100 99 3.7-4.1 10661/1.8=75...(8) QG1 VAL 20 + HA2 GLY 17 OK 32 96 85 39 3.1-5.5 10698/10699=22...(4) QG1 VAL 20 + HA3 GLY 17 OK 25 96 85 31 2.8-5.1 10698/10699=14...(4) QG2 VAL 20 - HA3 GLY 17 far 0 63 0 - 5.0-7.8 QG2 VAL 20 - HA2 GLY 17 far 0 63 0 - 5.3-8.2 QD1 LEU 62 - HA3 GLY 111 far 0 68 0 - 5.7-9.1 QD1 LEU 119 - HA3 GLY 111 far 0 48 0 - 6.0-8.9 QG1 VAL 57 - HA3 GLY 111 far 0 35 0 - 6.0-7.6 QG2 VAL 63 - HA3 GLY 111 far 0 66 0 - 8.0-10.2 QD1 LEU 22 - HA2 GLY 17 far 0 71 0 - 8.7-11.9 QD1 LEU 22 - HA3 GLY 17 far 0 71 0 - 9.3-11.6 QG1 VAL 118 - HA3 GLY 111 far 0 51 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 10682 from cnoeabs.peaks (2.31, 1.17, 21.38 ppm; 3.59 A): 0 out of 3 assignments used, quality = 0.00: HG3 GLU 30 - QG2 THR 25 far 0 46 0 - 7.4-12.0 HG2 GLU 30 - QG2 THR 25 far 0 50 0 - 7.8-12.3 HB VAL 77 - QG2 THR 25 far 0 40 0 - 8.4-18.1 Violated in 20 structures by 5.47 A. Peak 10685 from cnoeabs.peaks (0.90, 4.29, 61.95 ppm; 5.20 A increased from 4.89 A): 1 out of 4 assignments used, quality = 0.85: QG1 VAL 20 + HA THR 18 OK 85 100 100 85 4.4-5.2 10698/3.6=74...(4) QD1 LEU 22 - HA THR 18 far 5 99 5 - 5.6-8.9 QG2 VAL 20 - HA THR 18 far 0 97 0 - 6.2-6.9 QD2 LEU 98 - HA THR 18 far 0 68 0 - 9.9-34.6 Violated in 0 structures by 0.00 A. Peak 10686 from cnoeabs.peaks (1.35, 4.29, 61.95 ppm; 4.00 A): 1 out of 7 assignments used, quality = 0.59: QB ALA 21 + HA THR 18 OK 59 93 100 64 1.9-2.6 10683/3.0=25...(5) HG2 LYS 19 - HA THR 18 far 0 98 0 - 4.7-5.2 QB ALA 15 - HA THR 18 far 0 65 0 - 5.3-9.1 QB ALA 12 - HA THR 18 far 0 100 0 - 7.0-17.2 HG2 LYS 24 - HA THR 18 far 0 73 0 - 7.5-12.7 QB ALA 28 - HA THR 18 far 0 63 0 - 8.5-20.9 HG3 LYS 26 - HA THR 18 far 0 68 0 - 9.4-18.6 Violated in 0 structures by 0.00 A. Peak 10687 from cnoeabs.peaks (0.90, 4.19, 69.66 ppm; 4.60 A): 0 out of 6 assignments used, quality = 0.00: QG1 VAL 20 - HB THR 18 far 0 100 0 - 5.6-6.5 QD1 LEU 22 - HB THR 25 far 0 85 0 - 5.8-9.3 QD1 LEU 22 - HB THR 18 far 0 99 0 - 6.2-10.7 QG1 VAL 20 - HB THR 25 far 0 87 0 - 6.6-12.9 QG2 VAL 20 - HB THR 25 far 0 82 0 - 6.9-11.9 QG2 VAL 20 - HB THR 18 far 0 97 0 - 7.8-8.4 Violated in 20 structures by 0.87 A. Peak 10688 from cnoeabs.peaks (1.36, 4.19, 69.66 ppm; 5.39 A): 3 out of 15 assignments used, quality = 1.00: HG2 LYS 19 + HB THR 18 OK 95 100 95 100 4.7-6.0 6151/6146=87, ~10696=63...(17) QB ALA 21 + HB THR 18 OK 72 76 100 94 4.2-5.0 10686/3.0=86...(4) HG3 LYS 26 + HB THR 25 OK 71 73 100 98 2.8-5.7 11150/3.0=80...(13) QB ALA 15 - HB THR 18 poor 17 87 20 - 4.8-9.7 QB ALA 12 - HB THR 18 far 5 100 5 - 5.8-16.8 QB ALA 29 - HB THR 25 far 4 74 5 - 4.5-12.0 QB ALA 28 - HB THR 25 far 3 69 5 - 6.0-10.1 QB ALA 21 - HB THR 25 far 3 60 5 - 4.2-11.7 HG2 LYS 24 - HB THR 25 far 0 76 0 - 6.1-7.5 QB ALA 15 - HB THR 25 far 0 71 0 - 7.0-20.3 HG2 LYS 19 - HB THR 25 far 0 88 0 - 7.2-16.8 HG3 LYS 31 - HB THR 25 far 0 54 0 - 9.0-18.1 HG2 LYS 24 - HB THR 18 far 0 92 0 - 9.2-14.8 HG3 LYS 31 - HB THR 18 far 0 68 0 - 9.4-29.5 QB ALA 28 - HB THR 18 far 0 85 0 - 9.8-22.8 Violated in 0 structures by 0.00 A. Peak 10691 from cnoeabs.peaks (1.39, 4.20, 69.83 ppm; 5.48 A increased from 4.39 A): 2 out of 14 assignments used, quality = 1.00: HG3 LYS 26 + HB THR 25 OK 99 99 100 100 2.8-5.7 11150/3.0=93...(13) HG2 LYS 19 + HB THR 18 OK 60 60 100 100 4.7-6.0 3.0/10692=81...(17) QB ALA 16 - HB THR 18 lone 5 73 85 8 2.6-7.1 10878/6140=5, 7141/4.6=1 QB ALA 28 - HB THR 25 far 5 100 5 - 6.0-10.1 QB ALA 29 - HB THR 25 far 5 99 5 - 4.5-12.0 QB ALA 12 - HB THR 18 far 2 49 5 - 5.8-16.8 QB ALA 15 - HB THR 18 lone 0 87 25 1 4.8-9.7 HG2 LYS 24 - HB THR 25 far 0 99 0 - 6.1-7.5 QB ALA 15 - HB THR 25 far 0 100 0 - 7.0-20.3 HG2 LYS 19 - HB THR 25 far 0 76 0 - 7.2-16.8 HG3 LYS 31 - HB THR 25 far 0 100 0 - 9.0-18.1 HG2 LYS 24 - HB THR 18 far 0 85 0 - 9.2-14.8 HG3 LYS 31 - HB THR 18 far 0 87 0 - 9.4-29.5 QB ALA 28 - HB THR 18 far 0 87 0 - 9.8-22.8 Violated in 0 structures by 0.00 A. Peak 10692 from cnoeabs.peaks (1.64, 4.20, 69.83 ppm; 4.81 A increased from 4.53 A): 1 out of 20 assignments used, quality = 0.76: HD2 LYS 19 + HB THR 18 OK 76 79 100 96 3.5-4.8 10696/2.1=82...(14) HD3 LYS 19 - HB THR 18 far 12 79 15 - 4.4-6.4 HD3 LYS 26 - HB THR 25 far 4 78 5 - 5.2-8.1 HB3 LEU 22 - HB THR 18 far 3 69 5 - 5.3-10.4 HD2 LYS 26 - HB THR 25 far 0 73 0 - 5.4-8.5 HD3 LYS 24 - HB THR 25 far 0 73 0 - 5.5-7.6 HD2 LYS 24 - HB THR 25 far 0 71 0 - 5.6-9.1 HG LEU 22 - HB THR 18 far 0 69 0 - 6.3-11.6 HG3 ARG 23 - HB THR 25 far 0 97 0 - 7.3-9.9 HD2 LYS 19 - HB THR 25 far 0 95 0 - 7.8-19.1 HD3 LYS 86 - HB THR 18 far 0 60 0 - 8.1-35.4 HB3 LEU 22 - HB THR 25 far 0 85 0 - 8.4-12.5 HD3 LYS 19 - HB THR 25 far 0 95 0 - 8.4-19.1 HG LEU 22 - HB THR 25 far 0 85 0 - 8.4-12.7 HD3 LYS 31 - HB THR 18 far 0 58 0 - 8.5-28.6 HD2 LYS 86 - HB THR 18 far 0 60 0 - 8.8-34.6 HD3 LYS 31 - HB THR 25 far 0 73 0 - 9.8-19.2 HG3 ARG 23 - HB THR 18 far 0 83 0 - 9.9-13.8 HD2 LYS 31 - HB THR 18 far 0 56 0 - 9.9-28.4 HG LEU 70 - HB THR 25 far 0 73 0 - 9.9-28.5 Violated in 1 structures by 0.00 A. Peak 10693 from cnoeabs.peaks (1.76, 4.20, 69.83 ppm; 4.26 A): 1 out of 9 assignments used, quality = 0.88: HB2 LYS 24 + HB THR 25 OK 88 98 95 94 4.0-5.4 6232/583=69, ~10697=57...(9) HB2 LYS 19 - HB THR 18 far 0 86 0 - 4.9-6.1 HB2 LYS 26 - HB THR 25 far 0 99 0 - 5.0-7.2 HB2 LYS 19 - HB THR 25 far 0 99 0 - 5.8-18.3 HB2 LYS 31 - HB THR 25 far 0 95 0 - 7.3-16.3 HB2 ARG 23 - HB THR 25 far 0 100 0 - 8.4-10.3 HG3 ARG 90 - HB THR 18 far 0 58 0 - 8.8-36.5 HB2 ARG 23 - HB THR 18 far 0 88 0 - 9.1-12.1 HB2 LYS 24 - HB THR 18 far 0 84 0 - 9.2-16.4 Violated in 3 structures by 0.07 A. Peak 10694 from cnoeabs.peaks (2.02, 4.20, 69.83 ppm; 4.82 A): 0 out of 5 assignments used, quality = 0.00: HB3 MET 11 - HB THR 18 far 0 88 0 - 6.0-21.1 HB VAL 20 - HB THR 18 far 0 65 0 - 7.2-9.1 QE MET 11 - HB THR 18 far 0 71 0 - 7.6-20.5 HB3 GLU 30 - HB THR 25 far 0 100 0 - 7.8-15.8 HB VAL 20 - HB THR 25 far 0 81 0 - 9.8-15.1 Violated in 20 structures by 2.83 A. Peak 10695 from cnoeabs.peaks (2.34, 4.20, 69.83 ppm; 5.17 A): 0 out of 5 assignments used, quality = 0.00: HG2 GLN 27 - HB THR 25 far 14 92 15 - 4.4-9.5 HG3 GLN 27 - HB THR 25 far 12 81 15 - 4.5-10.9 HG3 GLN 27 - HB THR 18 far 3 65 5 - 5.5-23.7 HG2 GLN 27 - HB THR 18 far 0 76 0 - 6.6-23.7 HG3 GLU 30 - HB THR 25 far 0 99 0 - 9.3-16.1 Violated in 17 structures by 2.52 A. Peak 10696 from cnoeabs.peaks (1.65, 1.17, 21.38 ppm; 3.47 A increased from 3.27 A): 1 out of 26 assignments used, quality = 0.75: HD2 LYS 19 + QG2 THR 18 OK 75 100 100 75 3.3-3.4 10692/2.1=34...(12) HD3 LYS 19 - QG2 THR 18 poor 20 100 20 - 3.4-4.8 HG LEU 22 - QG2 THR 18 far 9 57 15 - 3.2-8.3 HB3 LEU 22 - QG2 THR 18 poor 7 57 40 29 2.5-7.3 2.9/10720=28 HD3 LYS 26 - QG2 THR 25 far 6 64 10 - 3.8-7.2 HD3 LYS 24 - QG2 THR 25 far 0 62 0 - 4.2-6.3 HD2 LYS 24 - QG2 THR 25 far 0 60 0 - 4.3-6.9 HD2 LYS 26 - QG2 THR 25 far 0 62 0 - 5.3-6.8 HD2 LYS 19 - QG2 THR 25 far 0 70 0 - 5.3-15.9 HG3 ARG 23 - QG2 THR 25 far 0 50 0 - 5.5-9.0 HG LEU 22 - QG2 THR 25 far 0 33 0 - 5.5-9.8 HD3 LYS 19 - QG2 THR 25 far 0 70 0 - 5.6-16.1 HB3 LEU 22 - QG2 THR 25 far 0 33 0 - 6.0-9.9 HD3 LYS 31 - QG2 THR 18 far 0 95 0 - 6.1-22.9 HD2 LYS 24 - QG2 THR 18 far 0 93 0 - 6.9-11.3 HG3 ARG 23 - QG2 THR 18 far 0 81 0 - 7.0-11.2 HD2 LYS 31 - QG2 THR 18 far 0 93 0 - 7.1-22.7 HD3 LYS 86 - QG2 THR 18 far 0 96 0 - 7.6-28.6 HD2 LYS 86 - QG2 THR 18 far 0 96 0 - 7.6-28.0 HD3 LYS 24 - QG2 THR 18 far 0 95 0 - 7.7-12.0 HD2 LYS 31 - QG2 THR 25 far 0 60 0 - 8.3-15.3 HD3 LYS 31 - QG2 THR 25 far 0 62 0 - 8.8-14.7 HD3 LYS 26 - QG2 THR 18 far 0 97 0 - 9.2-18.6 HD2 LYS 36 - QG2 THR 25 far 0 46 0 - 9.4-14.1 HD2 LYS 26 - QG2 THR 18 far 0 95 0 - 9.4-18.4 HD3 LYS 36 - QG2 THR 25 far 0 46 0 - 9.8-15.4 Violated in 0 structures by 0.00 A. Peak 10697 from cnoeabs.peaks (1.83, 1.17, 21.38 ppm; 3.83 A increased from 3.60 A): 1 out of 14 assignments used, quality = 0.51: HB3 LYS 24 + QG2 THR 25 OK 51 56 100 90 3.2-4.0 6233/6242=52, ~10693=41...(12) HB3 LYS 19 - QG2 THR 25 far 3 53 5 - 2.5-14.3 HB3 LYS 19 - QG2 THR 18 far 0 85 0 - 4.5-4.8 HB3 LYS 26 - QG2 THR 25 far 0 63 0 - 4.7-6.4 HB3 ARG 23 - QG2 THR 25 far 0 67 0 - 6.1-8.2 HB3 LYS 31 - QG2 THR 25 far 0 53 0 - 6.3-13.2 HB3 LYS 24 - QG2 THR 18 far 0 89 0 - 6.9-13.4 HB ILE 32 - QG2 THR 25 far 0 62 0 - 7.0-9.8 HB3 ARG 23 - QG2 THR 18 far 0 99 0 - 7.4-10.4 HB3 LYS 31 - QG2 THR 18 far 0 85 0 - 7.6-22.8 HB2 CYS 79 - QG2 THR 18 far 0 99 0 - 8.8-27.5 HB2 LYS 36 - QG2 THR 25 far 0 60 0 - 9.6-14.2 HB2 CYS 79 - QG2 THR 25 far 0 67 0 - 9.8-16.4 HB3 LYS 26 - QG2 THR 18 far 0 96 0 - 9.9-16.8 Violated in 3 structures by 0.01 A. Peak 10703 from cnoeabs.peaks (0.89, 1.38, 24.62 ppm; 3.82 A): 2 out of 14 assignments used, quality = 0.88: QG1 VAL 20 + HG2 LYS 19 OK 65 65 100 100 1.9-2.7 10714=87, 10712/1.8=60...(17) QD1 LEU 22 + HG2 LYS 24 OK 65 100 85 76 1.9-7.1 10733/6222=29...(12) QG2 VAL 20 - HG2 LYS 19 far 8 77 10 - 4.2-5.2 QG2 VAL 20 - HG3 LYS 31 far 4 86 5 - 3.4-19.6 QG1 VAL 20 - HG3 LYS 31 far 4 74 5 - 4.2-19.1 QG2 VAL 20 - HG2 LYS 24 far 0 100 0 - 4.8-8.4 QD1 LEU 22 - HG3 LYS 31 far 0 86 0 - 5.6-19.7 QD1 LEU 22 - HG3 LYS 26 far 0 99 0 - 5.6-11.1 QG2 VAL 20 - HG3 LYS 26 far 0 99 0 - 6.3-12.7 QG1 VAL 20 - HG2 LYS 24 far 0 92 0 - 6.6-9.6 QD1 LEU 22 - HG2 LYS 19 far 0 77 0 - 7.1-9.6 QG1 VAL 20 - HG3 LYS 26 far 0 89 0 - 7.7-13.3 QG2 VAL 20 - HG2 LYS 36 far 0 77 0 - 9.0-21.9 QD2 LEU 98 - HG2 LYS 24 far 0 90 0 - 9.9-29.2 Violated in 0 structures by 0.00 A. Peak 10705 from cnoeabs.peaks (0.93, 2.96, 41.80 ppm; 3.99 A): 2 out of 17 assignments used, quality = 0.49: QG1 VAL 20 + HE2 LYS 19 OK 33 72 75 62 3.9-5.4 10714/3.8=39...(4) QG1 VAL 20 + HE3 LYS 19 OK 23 76 50 62 2.8-5.5 10714/3.8=39...(4) QG1 VAL 20 - HE2 LYS 31 far 4 76 5 - 3.7-22.1 QG1 VAL 20 - HE3 LYS 31 far 4 75 5 - 2.2-21.3 QG1 VAL 20 - HE3 LYS 86 far 4 73 5 - 4.4-28.0 QG1 VAL 20 - HE3 LYS 24 far 0 75 0 - 5.2-11.8 QG2 ILE 37 - HE2 LYS 36 far 0 96 0 - 5.8-6.9 QG2 ILE 37 - HE3 LYS 36 far 0 99 0 - 6.1-7.0 QG1 VAL 20 - HE2 LYS 24 far 0 66 0 - 6.6-12.1 QG1 VAL 20 - HE3 LYS 26 far 0 75 0 - 7.0-14.5 QG1 VAL 20 - HE2 LYS 26 far 0 75 0 - 7.1-15.4 QG1 VAL 20 - HE3 LYS 36 far 0 75 0 - 7.5-22.6 QG1 VAL 20 - HE2 LYS 36 far 0 70 0 - 8.4-23.3 QG2 ILE 37 - HE2 LYS 26 far 0 99 0 - 8.6-11.7 QG2 ILE 37 - HE3 LYS 26 far 0 99 0 - 9.2-12.8 QG2 ILE 37 - HE3 LYS 86 far 0 98 0 - 9.5-11.4 QD1 LEU 48 - HE2 LYS 36 far 0 95 0 - 9.9-13.3 Violated in 7 structures by 0.03 A. Peak 10706 from cnoeabs.peaks (1.76, 3.99, 62.40 ppm; 5.34 A increased from 4.75 A): 3 out of 12 assignments used, quality = 1.00: HB2 LYS 19 + HA VAL 20 OK 95 95 100 100 5.4-5.7 6161/3.0=82...(19) HB2 ARG 23 + HA VAL 20 OK 92 99 95 98 2.0-6.1 6203/11783=73...(14) HB2 LEU 48 + HB3 SER 51 OK 52 58 90 100 5.5-6.2 3.0/1493=78, ~1615=66...(9) HB2 LYS 24 - HA VAL 20 far 14 90 15 - 5.3-10.4 HB2 LYS 31 - HA VAL 20 far 4 83 5 - 4.6-20.3 HB3 LEU 98 - HB3 SER 94 far 0 26 0 - 6.1-8.0 HB2 LEU 48 - HA SER 50 far 0 78 0 - 7.5-7.9 HG13 ILE 129 - HB3 SER 94 far 0 30 0 - 7.6-11.4 HG13 ILE 129 - HB2 SER 124 far 0 74 0 - 8.1-9.7 HB2 LYS 26 - HA VAL 20 far 0 95 0 - 8.7-14.4 HG13 ILE 129 - HA SER 50 far 0 76 0 - 8.8-12.2 HB ILE 80 - HA VAL 20 far 0 68 0 - 9.6-31.1 Violated in 0 structures by 0.00 A. Peak 10707 from cnoeabs.peaks (1.83, 3.99, 62.40 ppm; 4.83 A): 4 out of 12 assignments used, quality = 0.99: HB3 LYS 19 + HA VAL 20 OK 89 89 100 100 3.8-4.5 6162/3.0=72, ~6161=54...(20) HB3 LEU 123 + HA SER 50 OK 80 80 100 100 2.5-4.5 3.2/11874=90...(22) HB3 ARG 23 + HA VAL 20 OK 46 99 50 93 2.5-6.7 6204/11783=54...(14) HB VAL 93 + HB3 SER 94 OK 24 41 60 100 5.0-5.9 7281/3.6=78, ~11420=67...(13) HB3 LYS 31 - HA VAL 20 far 4 89 5 - 4.5-21.8 HB3 LYS 24 - HA VAL 20 far 0 92 0 - 6.1-10.8 HB3 LEU 123 - HB2 SER 124 far 0 78 0 - 6.6-7.3 HB3 LEU 123 - HB3 SER 51 far 0 60 0 - 7.8-9.8 HB2 CYS 79 - HA VAL 20 far 0 97 0 - 9.2-27.5 HB ILE 32 - HA VAL 20 far 0 97 0 - 9.5-19.9 HB3 LYS 26 - HA VAL 20 far 0 97 0 - 9.8-14.3 HB2 LEU 100 - HB3 SER 94 far 0 39 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 10708 from cnoeabs.peaks (1.57, 3.99, 62.40 ppm; 5.07 A increased from 4.77 A): 4 out of 8 assignments used, quality = 1.00: HG LEU 123 + HA SER 50 OK 94 94 100 100 4.2-5.1 2.1/11874=100...(23) HG LEU 123 + HB2 SER 124 OK 91 92 100 98 4.6-5.5 7765/7769=74, ~10372=60...(10) HG2 ARG 23 + HA VAL 20 OK 69 100 75 92 3.6-7.2 6205/11783=55...(11) HB2 LEU 22 + HA VAL 20 OK 37 68 65 82 4.4-6.7 4.0/10724=61...(4) HG LEU 49 - HA SER 50 far 0 94 0 - 6.3-6.5 HG LEU 49 - HB3 SER 51 far 0 74 0 - 7.9-8.8 HB2 LEU 119 - HA SER 50 far 0 62 0 - 7.9-8.6 HG LEU 123 - HB3 SER 51 far 0 73 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 10709 from cnoeabs.peaks (1.34, 3.99, 62.40 ppm; 4.87 A increased from 4.58 A): 2 out of 8 assignments used, quality = 1.00: QB ALA 21 + HA VAL 20 OK 100 100 100 100 4.7-5.0 6181/6176=99...(18) HG2 LYS 19 + HA VAL 20 OK 81 81 100 100 4.0-4.8 3.0/10678=54, ~6164=49...(17) QB ALA 12 - HB3 SER 94 far 2 32 5 - 4.6-29.1 QB ALA 46 - HA SER 50 far 0 94 0 - 6.8-7.1 QB ALA 46 - HB3 SER 51 far 0 74 0 - 7.4-9.1 QB ALA 12 - HA VAL 20 far 0 90 0 - 7.9-20.3 QB ALA 21 - HB3 SER 94 far 0 41 0 - 9.2-30.1 QB ALA 46 - HB2 SER 124 far 0 93 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 10711 from cnoeabs.peaks (1.36, 2.00, 32.56 ppm; 4.48 A): 2 out of 8 assignments used, quality = 1.00: HG2 LYS 19 + HB VAL 20 OK 100 100 100 100 4.1-4.5 10714/2.1=87, ~10712=49...(14) QB ALA 21 + HB VAL 20 OK 47 81 60 98 4.1-5.4 2.9/6177=72, ~353=45...(10) QB ALA 15 - HB VAL 20 far 4 83 5 - 3.9-11.3 HG3 LYS 31 - HB VAL 20 far 0 63 0 - 5.3-22.4 HG2 LYS 24 - HB VAL 20 far 0 89 0 - 6.1-10.9 QB ALA 12 - HB VAL 20 far 0 100 0 - 6.6-19.0 HG3 LYS 26 - HB VAL 20 far 0 85 0 - 9.5-16.1 QB ALA 28 - HB VAL 20 far 0 81 0 - 9.7-19.0 Violated in 0 structures by 0.00 A. Peak 10712 from cnoeabs.peaks (1.80, 0.91, 20.62 ppm; 4.05 A increased from 3.41 A): 1 out of 8 assignments used, quality = 0.93: HB3 LYS 19 + QG1 VAL 20 OK 93 93 100 100 3.3-4.0 3.0/10714=76...(16) HB3 ARG 23 - QG1 VAL 20 far 0 71 0 - 5.0-7.9 HB3 LYS 31 - QG1 VAL 20 far 0 93 0 - 5.5-20.3 HB2 LYS 86 - QG1 VAL 20 far 0 100 0 - 5.8-29.3 HB3 LYS 24 - QG1 VAL 20 far 0 90 0 - 7.5-11.2 HB3 LYS 26 - QG1 VAL 20 far 0 81 0 - 7.9-13.8 HB ILE 32 - QG1 VAL 20 far 0 83 0 - 9.0-18.4 HB2 LYS 36 - QG1 VAL 20 far 0 85 0 - 9.4-21.1 Violated in 0 structures by 0.00 A. Peak 10713 from cnoeabs.peaks (1.60, 0.91, 20.62 ppm; 3.35 A): 0 out of 4 assignments used, quality = 0.00: HG3 ARG 23 - QG1 VAL 20 far 0 60 0 - 4.4-7.5 HG2 ARG 23 - QG1 VAL 20 far 0 81 0 - 5.1-7.3 HB3 LEU 22 - QG1 VAL 20 far 0 83 0 - 5.7-7.3 HG LEU 22 - QG1 VAL 20 far 0 83 0 - 7.8-9.2 Violated in 20 structures by 1.59 A. Peak 10714 from cnoeabs.peaks (1.37, 0.91, 20.62 ppm; 3.16 A): 1 out of 9 assignments used, quality = 0.93: HG2 LYS 19 + QG1 VAL 20 OK 93 97 100 95 1.9-2.7 3.0/10712=36, 10714=33...(20) QB ALA 15 - QG1 VAL 20 far 5 99 5 - 3.6-8.4 QB ALA 16 - QG1 VAL 20 far 3 57 5 - 3.1-7.1 HG3 LYS 31 - QG1 VAL 20 far 0 90 0 - 4.2-19.1 QB ALA 12 - QG1 VAL 20 far 0 92 0 - 6.4-16.4 HG2 LYS 24 - QG1 VAL 20 far 0 100 0 - 6.6-9.6 HG3 LYS 26 - QG1 VAL 20 far 0 99 0 - 7.7-13.3 QB ALA 28 - QG1 VAL 20 far 0 98 0 - 8.4-16.3 QB ALA 29 - QG1 VAL 20 far 0 99 0 - 9.2-17.1 Violated in 0 structures by 0.00 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 18 - HA LEU 22 lone 2 93 30 8 4.4-7.9 10696/2.9=7 QG2 THR 25 - HA LEU 22 far 0 100 0 - 5.7-9.2 HG12 ILE 32 - HA LEU 22 far 0 76 0 - 7.9-17.9 QG2 VAL 77 - HA LEU 22 far 0 100 0 - 9.2-23.1 Violated in 18 structures by 1.13 A. Peak 10725 from cnoeabs.peaks (4.03, 0.84, 23.38 ppm; 4.23 A): 0 out of 0 assignments used, quality = 0.00: Peak 10727 from cnoeabs.peaks (0.89, 4.29, 55.99 ppm; 5.46 A increased from 4.60 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 22 + HA ARG 23 OK 100 100 100 100 3.9-5.8 ~407=56, ~6200=56...(18) QG2 VAL 20 + HA ARG 23 OK 84 100 85 98 2.0-6.8 10688=58, ~11783=45...(15) QG1 VAL 20 - HA ARG 23 poor 18 90 20 - 4.5-8.4 Violated in 0 structures by 0.00 A. Peak 10728 from cnoeabs.peaks (8.13, 4.29, 55.99 ppm; 3.08 A): 0 out of 2 assignments used, quality = 0.00: H LEU 22 - HA ARG 23 far 0 95 0 - 3.9-5.3 H ILE 32 - HA ARG 23 far 0 100 0 - 5.6-15.9 Violated in 20 structures by 1.48 A. Peak 10729 from cnoeabs.peaks (1.36, 3.17, 43.21 ppm; 4.56 A): 0 out of 33 assignments used, quality = 0.00: HG2 LYS 24 - HD3 ARG 23 far 9 93 10 - 4.1-9.0 HG2 LYS 24 - HD2 ARG 23 far 5 93 5 - 4.4-8.5 HG2 LYS 19 - HD3 ARG 90 far 5 93 5 - 4.5-36.1 QB ALA 15 - HD3 ARG 90 far 4 78 5 - 5.0-32.2 QB ALA 21 - HD2 ARG 23 far 4 73 5 - 4.3-8.8 QB ALA 21 - HD3 ARG 23 far 4 73 5 - 5.1-8.4 HG3 LYS 31 - HD2 ARG 23 far 4 71 5 - 4.3-20.8 QB ALA 21 - HD2 ARG 90 far 0 62 0 - 5.2-26.0 QB ALA 28 - HD3 ARG 23 far 0 87 0 - 5.2-16.7 HG2 LYS 19 - HD2 ARG 90 far 0 92 0 - 5.3-35.2 HG3 LYS 31 - HD3 ARG 23 far 0 71 0 - 5.8-21.8 QB ALA 21 - HD3 ARG 90 far 0 63 0 - 6.0-26.7 HG3 LYS 26 - HD3 ARG 23 far 0 90 0 - 6.0-13.7 QB ALA 15 - HD2 ARG 90 far 0 77 0 - 6.0-31.7 QB ALA 15 - HD3 ARG 23 far 0 89 0 - 6.4-15.2 QB ALA 28 - HD2 ARG 23 far 0 87 0 - 6.5-15.9 QB ALA 12 - HD3 ARG 90 far 0 91 0 - 6.6-28.7 HG2 LYS 19 - HD3 ARG 23 far 0 100 0 - 6.7-10.9 HG2 LYS 19 - HD2 ARG 23 far 0 100 0 - 6.8-10.5 HG3 LYS 26 - HD2 ARG 23 far 0 90 0 - 7.2-13.2 QB ALA 15 - HD2 ARG 23 far 0 89 0 - 7.5-15.9 QB ALA 12 - HD2 ARG 90 far 0 91 0 - 7.6-28.9 HG2 LYS 95 - HD3 ARG 90 far 0 68 0 - 8.3-13.3 HG3 LYS 95 - HD2 ARG 90 far 0 71 0 - 8.6-13.0 QB ALA 12 - HD2 ARG 23 far 0 99 0 - 9.1-23.3 HG2 LYS 36 - HD3 ARG 23 far 0 92 0 - 9.4-25.1 QB ALA 29 - HD3 ARG 23 far 0 92 0 - 9.4-17.6 HB2 LEU 96 - HD3 ARG 90 far 0 82 0 - 9.5-12.6 QB ALA 29 - HD2 ARG 23 far 0 92 0 - 9.7-17.7 QB ALA 46 - HD2 ARG 90 far 0 62 0 - 9.7-11.9 HG3 LYS 95 - HD3 ARG 90 far 0 72 0 - 9.7-12.4 HG2 LYS 95 - HD2 ARG 90 far 0 67 0 - 9.8-13.9 QB ALA 12 - HD3 ARG 23 far 0 99 0 - 10.0-23.7 Violated in 14 structures by 0.46 A. Peak 10748 from cnoeabs.peaks (0.88, 1.75, 32.72 ppm; 5.00 A increased from 4.21 A): 3 out of 18 assignments used, quality = 0.94: QD1 LEU 22 + HB2 LYS 24 OK 71 94 90 85 3.0-6.8 10703/2.9=40...(7) QG1 VAL 20 + HB2 LYS 19 OK 67 67 100 100 4.1-4.9 10712/3.0=67...(15) QG2 ILE 32 + HB2 LYS 26 OK 36 65 55 99 3.5-7.5 10721/4.8=39...(30) QG2 VAL 20 - HB2 LYS 26 far 5 97 5 - 5.6-13.5 QD1 LEU 22 - HB2 LYS 26 far 5 95 5 - 5.5-11.6 QG2 VAL 20 - HB2 LYS 31 far 5 91 5 - 4.8-19.3 QD1 LEU 22 - HB2 LYS 31 far 4 88 5 - 4.7-17.6 QG1 VAL 20 - HB2 LYS 31 far 3 61 5 - 4.9-18.9 QG2 ILE 32 - HB2 LYS 31 far 0 59 0 - 5.7-6.3 QG2 VAL 20 - HB2 LYS 19 far 0 97 0 - 5.8-6.6 QG2 VAL 20 - HB2 LYS 24 far 0 97 0 - 5.8-9.6 QD1 LEU 22 - HB2 LYS 19 far 0 94 0 - 6.0-10.2 QG1 VAL 20 - HB2 LYS 24 far 0 67 0 - 6.1-10.9 QG1 VAL 20 - HB2 LYS 26 far 0 68 0 - 7.2-14.2 QG2 ILE 32 - HB2 LYS 24 far 0 64 0 - 7.3-11.7 QG2 ILE 32 - HB2 LYS 19 far 0 65 0 - 9.4-21.0 QD2 LEU 70 - HB2 LYS 24 far 0 70 0 - 9.7-23.8 QD2 LEU 69 - HB2 LYS 39 far 0 57 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 10749 from cnoeabs.peaks (1.18, 1.82, 32.72 ppm; 4.64 A): 4 out of 17 assignments used, quality = 1.00: QG2 THR 18 + HB3 LYS 19 OK 94 96 100 98 4.5-4.8 6147/3.9=66...(12) QG2 THR 25 + HB3 LYS 24 OK 93 93 100 100 3.2-4.0 10697=93, 6242/6233=84...(12) HG12 ILE 32 + HB3 LYS 26 OK 88 95 95 98 2.8-5.5 10767/3.5=51...(18) QG2 THR 25 + HB3 LYS 26 OK 70 96 75 98 4.7-6.4 6248/6251=70, ~11150=36...(21) QG2 THR 25 - HB3 LYS 19 far 4 90 5 - 2.5-14.3 HG12 ILE 32 - HB3 LYS 31 far 0 88 0 - 5.7-7.4 QG2 VAL 77 - HB3 LYS 19 far 0 95 0 - 6.1-29.6 QB ALA 41 - HB2 LYS 36 far 0 95 0 - 6.1-6.8 QG2 THR 25 - HB3 LYS 31 far 0 89 0 - 6.3-13.2 QG2 THR 18 - HB3 LYS 24 far 0 98 0 - 6.9-13.4 HG12 ILE 32 - HB2 LYS 36 far 0 88 0 - 7.4-9.7 QG2 THR 18 - HB3 LYS 31 far 0 95 0 - 7.6-22.8 HG12 ILE 32 - HB3 LYS 24 far 0 92 0 - 8.6-14.3 QG2 THR 25 - HB2 LYS 36 far 0 90 0 - 9.6-14.2 HG12 ILE 32 - HB3 LYS 19 far 0 88 0 - 9.7-21.0 QG2 THR 18 - HB3 LYS 26 far 0 100 0 - 9.9-16.8 QG2 VAL 77 - HB3 LYS 24 far 0 98 0 - 10.0-20.7 Violated in 0 structures by 0.00 A. Peak 10751 from cnoeabs.peaks (0.79, 1.82, 32.72 ppm; 4.50 A): 2 out of 12 assignments used, quality = 0.97: QD1 ILE 37 + HB2 LYS 36 OK 83 84 100 99 3.3-4.9 6417/6404=62...(18) QD1 ILE 32 + HB3 LYS 26 OK 79 87 95 96 1.7-5.8 10704/3.0=38, 2.1/913=29...(21) QD1 LEU 70 - HB3 LYS 24 far 0 70 0 - 6.0-23.9 QD1 ILE 32 - HB2 LYS 36 far 0 80 0 - 6.0-8.1 QD1 ILE 32 - HB3 LYS 31 far 0 80 0 - 6.4-7.6 QG2 ILE 80 - HB3 LYS 19 far 0 78 0 - 6.7-30.4 QD1 ILE 32 - HB3 LYS 24 far 0 84 0 - 6.9-11.2 QD1 LEU 70 - HB3 LYS 19 far 0 67 0 - 8.0-30.7 QD1 ILE 32 - HB3 LYS 19 far 0 80 0 - 8.5-19.0 QD1 ILE 37 - HB3 LYS 26 far 0 90 0 - 9.5-11.6 HG13 ILE 80 - HB3 LYS 19 far 0 54 0 - 9.7-35.8 QD1 ILE 37 - HB3 LYS 31 far 0 83 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 10753 from cnoeabs.peaks (0.78, 4.27, 56.60 ppm; 4.95 A increased from 4.66 A): 2 out of 7 assignments used, quality = 0.90: QD1 ILE 37 + HA LYS 36 OK 78 83 95 100 4.7-5.9 6417/3.6=81, ~10916=45...(18) QD1 ILE 32 + HA LYS 26 OK 54 100 55 98 2.1-6.9 10704/4.0=36...(30) QD1 ILE 32 - HA LYS 31 far 0 89 0 - 6.2-6.5 QD1 ILE 32 - HA LYS 36 far 0 83 0 - 6.6-8.3 QD1 ILE 37 - HA LYS 31 far 0 89 0 - 8.6-9.5 QD1 ILE 32 - HA LYS 19 far 0 100 0 - 9.5-18.9 QD1 ILE 37 - HA LYS 26 far 0 100 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 10756 from cnoeabs.peaks (0.89, 1.43, 24.54 ppm; 3.69 A): 2 out of 13 assignments used, quality = 0.77: QG1 VAL 20 + HG3 LYS 19 OK 66 67 100 98 2.4-3.4 10714/1.8=64...(16) QD1 LEU 22 + HG3 LYS 24 OK 33 79 55 75 2.4-7.6 10703/1.8=35...(12) QG2 VAL 20 - HG2 LYS 31 far 4 82 5 - 2.6-20.9 QG1 VAL 20 - HG2 LYS 31 far 3 62 5 - 4.1-20.4 QG2 VAL 20 - HG3 LYS 19 far 0 87 0 - 4.4-5.5 QG2 VAL 20 - HG2 LYS 26 far 0 100 0 - 6.0-13.7 QD1 LEU 22 - HG2 LYS 31 far 0 81 0 - 6.0-18.8 QG2 VAL 20 - HG3 LYS 24 far 0 81 0 - 6.0-9.4 QD1 LEU 22 - HG2 LYS 26 far 0 99 0 - 6.4-12.2 QG1 VAL 20 - HG3 LYS 24 far 0 61 0 - 7.3-10.6 QD1 LEU 22 - HG3 LYS 19 far 0 85 0 - 7.8-10.4 QG1 VAL 20 - HG2 LYS 26 far 0 83 0 - 8.5-14.4 QD2 LEU 98 - HG3 LYS 24 far 0 75 0 - 8.6-30.6 Violated in 0 structures by 0.00 A. Peak 10757 from cnoeabs.peaks (0.85, 2.97, 41.80 ppm; 4.00 A increased from 3.55 A): 2 out of 27 assignments used, quality = 0.99: QG2 ILE 32 + HE2 LYS 26 OK 99 100 100 99 2.5-3.9 10766=80, 930/9008=29...(53) QG2 ILE 32 + HE3 LYS 26 OK 25 100 25 99 2.0-5.4 10766/1.8=62...(83) QD2 LEU 22 - HE3 LYS 24 poor 12 96 45 28 2.2-8.1 10812/3.0=9, 2.1/11618=8...(6) QD2 LEU 22 - HE2 LYS 24 poor 10 83 45 26 2.0-9.4 10812/3.0=9, ~11618=6...(6) HG13 ILE 80 - HE3 LYS 86 far 0 61 0 - 4.6-7.9 QD2 LEU 22 - HE2 LYS 26 far 0 99 0 - 5.7-14.6 QD2 LEU 22 - HE3 LYS 26 far 0 99 0 - 5.8-13.3 QG2 ILE 32 - HE3 LYS 36 far 0 97 0 - 5.9-7.5 QG2 ILE 32 - HE2 LYS 36 far 0 91 0 - 6.0-7.6 QG2 ILE 32 - HE2 LYS 31 far 0 99 0 - 6.3-9.6 QG2 ILE 32 - HE3 LYS 31 far 0 100 0 - 6.5-9.7 QD2 LEU 22 - HE3 LYS 86 far 0 93 0 - 6.8-22.8 QG1 VAL 133 - HE3 LYS 86 far 0 87 0 - 7.8-11.2 QD2 LEU 22 - HE3 LYS 19 far 0 98 0 - 7.9-12.1 QD2 LEU 22 - HE2 LYS 31 far 0 98 0 - 8.1-22.2 QG2 ILE 129 - HE3 LYS 86 far 0 56 0 - 8.2-9.2 QD2 LEU 22 - HE3 LYS 31 far 0 99 0 - 8.5-22.6 HG13 ILE 80 - HE3 LYS 19 far 0 67 0 - 8.7-39.2 QD2 LEU 22 - HE2 LYS 19 far 0 91 0 - 8.8-12.1 QG2 ILE 32 - HE2 LYS 19 far 0 93 0 - 8.9-22.4 QD2 LEU 70 - HE2 LYS 19 far 0 92 0 - 8.9-34.6 QD2 LEU 70 - HE3 LYS 19 far 0 98 0 - 9.2-35.1 QG2 ILE 129 - HE3 LYS 19 far 0 62 0 - 9.3-36.2 QD1 LEU 98 - HE2 LYS 19 far 0 85 0 - 9.3-37.5 QD2 LEU 98 - HE2 LYS 19 far 0 57 0 - 9.5-39.0 QD2 LEU 98 - HE2 LYS 24 far 0 50 0 - 9.6-31.8 QG2 ILE 129 - HE2 LYS 19 far 0 54 0 - 9.8-35.8 Violated in 0 structures by 0.00 A. Peak 10760 from cnoeabs.peaks (0.93, 4.24, 56.10 ppm; 4.83 A): 0 out of 2 assignments used, quality = 0.00: QG1 VAL 20 - HA GLN 27 far 0 85 0 - 6.1-15.8 QG1 VAL 20 - HA GLU 30 far 0 30 0 - 8.3-20.5 Violated in 20 structures by 7.34 A. Peak 10761 from cnoeabs.peaks (1.38, 1.96, 29.32 ppm; 4.61 A): 3 out of 15 assignments used, quality = 1.00: QB ALA 28 + HB2 GLN 27 OK 100 100 100 100 4.5-5.1 10762/1.8=80...(16) QB ALA 28 + HB2 GLU 30 OK 84 84 100 100 2.4-3.6 10791=87, 10744/3.0=70...(13) QB ALA 29 + HB2 GLU 30 OK 70 83 85 98 4.8-5.3 3.7/6318=72...(13) HG3 LYS 26 - HB2 GLN 27 far 10 100 10 - 4.7-7.8 HG3 LYS 26 - HB2 GLU 30 far 0 84 0 - 5.4-10.6 HG3 LYS 31 - HB2 GLU 30 far 0 81 0 - 6.3-7.1 QB ALA 29 - HB2 GLN 27 far 0 100 0 - 6.5-8.3 HG3 LYS 31 - HB2 GLN 27 far 0 99 0 - 7.0-11.9 HG2 LYS 24 - HB2 GLN 27 far 0 100 0 - 7.4-13.2 QB ALA 15 - HB2 GLN 27 far 0 100 0 - 7.7-23.5 HG2 LYS 19 - HB2 GLN 27 far 0 85 0 - 7.8-20.3 QB ALA 16 - HB2 GLU 30 far 0 61 0 - 9.8-25.1 QB ALA 12 - HB2 GLU 30 far 0 55 0 - 9.8-33.5 QB ALA 16 - HB2 GLN 27 far 0 81 0 - 9.9-21.9 HG2 LYS 24 - HB2 GLU 30 far 0 83 0 - 9.9-18.2 Violated in 0 structures by 0.00 A. Peak 10762 from cnoeabs.peaks (1.39, 2.06, 29.32 ppm; 4.52 A): 1 out of 8 assignments used, quality = 0.99: QB ALA 28 + HB3 GLN 27 OK 99 99 100 100 3.1-4.5 6304/6298=84...(18) HG3 LYS 26 - HB3 GLN 27 far 0 99 0 - 5.5-8.0 QB ALA 29 - HB3 GLN 27 far 0 98 0 - 6.0-6.9 HG3 LYS 31 - HB3 GLN 27 far 0 100 0 - 6.9-11.8 QB ALA 34 - HB3 GLN 27 far 0 60 0 - 7.9-10.8 QB ALA 15 - HB3 GLN 27 far 0 99 0 - 8.3-24.7 HG2 LYS 24 - HB3 GLN 27 far 0 97 0 - 8.4-13.9 HG2 LYS 19 - HB3 GLN 27 far 0 71 0 - 8.4-21.6 Violated in 0 structures by 0.00 A. Peak 10763 from cnoeabs.peaks (1.37, 2.36, 33.67 ppm; 4.39 A): 2 out of 15 assignments used, quality = 0.77: QB ALA 28 + HG3 GLN 27 OK 53 97 55 100 4.1-6.3 10723/3.0=56...(20) QB ALA 28 + HG2 GLN 27 OK 51 93 55 100 4.1-6.3 10723/3.0=56...(18) QB ALA 29 - HG2 GLN 27 far 14 96 15 - 4.7-7.5 HG3 LYS 26 - HG2 GLN 27 far 14 95 15 - 4.2-7.8 HG3 LYS 26 - HG3 GLN 27 far 5 98 5 - 4.8-7.8 QB ALA 29 - HG3 GLN 27 far 0 99 0 - 5.0-8.2 HG3 LYS 31 - HG3 GLN 27 far 0 87 0 - 5.7-12.7 HG3 LYS 31 - HG2 GLN 27 far 0 83 0 - 6.0-11.9 HG2 LYS 19 - HG2 GLN 27 far 0 96 0 - 6.6-21.1 HG2 LYS 19 - HG3 GLN 27 far 0 99 0 - 6.6-20.1 HG2 LYS 24 - HG3 GLN 27 far 0 99 0 - 6.9-14.2 QB ALA 15 - HG2 GLN 27 far 0 94 0 - 6.9-23.3 QB ALA 15 - HG3 GLN 27 far 0 97 0 - 7.0-24.1 HG2 LYS 24 - HG2 GLN 27 far 0 96 0 - 7.1-13.1 HB2 LEU 96 - HG2 GLN 127 far 0 81 0 - 7.5-10.6 Violated in 6 structures by 0.24 A. Peak 10764 from cnoeabs.peaks (1.17, 2.36, 33.67 ppm; 4.78 A increased from 4.25 A): 2 out of 6 assignments used, quality = 0.95: HG12 ILE 32 + HG2 GLN 27 OK 91 97 100 94 3.2-4.9 1.8/10765=44...(13) HG12 ILE 32 + HG3 GLN 27 OK 51 99 55 93 3.5-6.2 10768/3.0=36, ~10765=33...(11) QG2 THR 25 - HG3 GLN 27 poor 17 85 20 - 2.0-7.4 QG2 THR 25 - HG2 GLN 27 poor 8 81 25 40 2.5-6.5 10758/4.6=22...(3) QG2 THR 18 - HG3 GLN 27 far 5 100 5 - 4.1-18.6 QG2 THR 18 - HG2 GLN 27 far 0 98 0 - 5.5-18.9 Violated in 0 structures by 0.00 A. Peak 10765 from cnoeabs.peaks (1.44, 2.36, 33.67 ppm; 4.82 A): 2 out of 13 assignments used, quality = 0.89: HG13 ILE 32 + HG2 GLN 27 OK 78 98 85 93 2.9-5.7 1.8/10725=53, ~10768=31...(13) HG13 ILE 32 + HG3 GLN 27 OK 51 100 55 93 3.1-6.8 ~10725=41, ~10764=37...(13) HG2 LYS 26 - HG2 GLN 27 poor 10 98 30 33 3.7-8.1 6264/4.6=31, 4.0/729=2 HG2 LYS 26 - HG3 GLN 27 far 5 100 5 - 4.8-8.4 QB ALA 92 - HG2 GLN 127 far 0 81 0 - 5.5-8.9 HG2 LYS 31 - HG3 GLN 27 far 0 100 0 - 5.6-13.1 HG3 LYS 19 - HG2 GLN 27 far 0 96 0 - 5.7-21.2 HG3 LYS 19 - HG3 GLN 27 far 0 99 0 - 6.0-20.3 HG2 LYS 31 - HG2 GLN 27 far 0 97 0 - 6.3-12.4 QB ALA 34 - HG2 GLN 27 far 0 83 0 - 6.4-8.9 QB ALA 34 - HG3 GLN 27 far 0 87 0 - 6.5-10.1 HG3 LYS 24 - HG3 GLN 27 far 0 98 0 - 7.6-14.8 HG3 LYS 24 - HG2 GLN 27 far 0 95 0 - 7.9-13.7 Violated in 4 structures by 0.09 A. Peak 10766 from cnoeabs.peaks (1.18, 1.96, 29.32 ppm; 5.84 A increased from 5.50 A): 3 out of 5 assignments used, quality = 0.93: HG12 ILE 32 + HB2 GLU 30 OK 72 72 100 100 5.2-5.9 1.8/10769=89, 10843=53...(17) QG2 THR 25 + HB2 GLN 27 OK 54 97 95 58 2.9-6.6 10758/6271=50...(3) HG12 ILE 32 + HB2 GLN 27 OK 50 92 55 99 5.6-7.2 10768/1.8=58...(10) QG2 THR 18 - HB2 GLN 27 far 5 99 5 - 5.5-18.4 QG2 THR 25 - HB2 GLU 30 far 4 79 5 - 6.1-10.3 Violated in 0 structures by 0.00 A. Peak 10767 from cnoeabs.peaks (0.92, 2.36, 33.67 ppm; 4.11 A): 1 out of 9 assignments used, quality = 0.83: QD1 LEU 123 + HG2 GLN 127 OK 83 83 100 100 3.1-3.5 11579=100, 10437/1.8=88...(19) QG1 VAL 20 - HG2 GLN 27 far 4 86 5 - 4.7-16.5 QD1 LEU 22 - HG3 GLN 27 far 3 60 5 - 4.1-15.1 QD1 LEU 22 - HG2 GLN 27 far 3 56 5 - 3.5-13.7 QG1 VAL 20 - HG3 GLN 27 far 0 90 0 - 4.8-15.9 QD1 LEU 49 - HG2 GLN 127 far 0 78 0 - 6.0-8.3 QD2 LEU 48 - HG2 GLN 127 far 0 72 0 - 8.9-12.3 QD1 LEU 48 - HG2 GLN 127 far 0 84 0 - 9.5-12.4 QD1 LEU 62 - HG2 GLN 127 far 0 79 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 10768 from cnoeabs.peaks (1.38, 4.24, 56.10 ppm; 4.37 A increased from 3.89 A): 3 out of 12 assignments used, quality = 0.96: QB ALA 28 + HA GLN 27 OK 90 100 90 100 3.7-5.0 6304/3.6=82...(14) QB ALA 28 + HA GLU 30 OK 41 41 100 99 3.9-4.7 10791/3.0=77...(15) QB ALA 29 + HA GLU 30 OK 40 41 100 98 3.8-4.2 4.9=71, 6316/3.0=38...(16) HG3 LYS 26 - HA GLN 27 far 15 100 15 - 4.4-6.6 QB ALA 29 - HA GLN 27 far 0 100 0 - 5.4-7.9 HG3 LYS 31 - HA GLU 30 far 0 39 0 - 6.5-7.6 HG3 LYS 26 - HA GLU 30 far 0 41 0 - 7.8-11.4 QB ALA 15 - HA GLN 27 far 0 100 0 - 8.7-23.4 HG2 LYS 19 - HA GLN 27 far 0 85 0 - 8.7-19.9 HG3 LYS 31 - HA GLN 27 far 0 99 0 - 8.9-12.5 HG2 LYS 24 - HA GLN 27 far 0 100 0 - 10.0-11.7 QB ALA 12 - HA GLU 30 far 0 24 0 - 10.0-35.6 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 3 assignments used, quality = 0.94: QD1 ILE 32 + HA ALA 29 OK 80 80 100 100 1.9-2.2 11488/2.1=96...(16) QD1 ILE 32 + HA ALA 28 OK 69 90 100 76 2.6-5.2 ~10772=30, 934/3.6=26...(8) QD1 ILE 37 - HA ALA 29 far 0 83 0 - 8.5-9.5 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 3 assignments used, quality = 0.94: H ALA 28 + HA ALA 28 OK 90 90 100 100 2.3-2.9 3.0=100 H ALA 28 + HA ALA 29 OK 40 99 45 90 4.0-6.0 4.6/6325=32...(19) H ALA 21 - HA ALA 28 far 0 56 0 - 8.5-20.4 Violated in 0 structures by 0.00 A. Peak 10779 from cnoeabs.peaks (1.17, 4.23, 52.53 ppm; 4.91 A): 1 out of 6 assignments used, quality = 0.97: HG12 ILE 32 + HA ALA 29 OK 97 97 100 100 3.3-3.5 10750=93, 2.9/10734=92...(24) HG12 ILE 32 - HA ALA 28 poor 18 88 20 - 4.8-7.5 QG2 THR 25 - HA ALA 28 far 4 81 5 - 4.8-8.4 QG2 THR 25 - HA ALA 29 far 0 92 0 - 5.9-9.5 QG2 THR 18 - HA ALA 28 far 0 93 0 - 7.6-20.6 QG2 THR 18 - HA ALA 29 far 0 100 0 - 9.8-22.2 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 3 assignments used, quality = 1.00: QD1 ILE 32 + HA ALA 29 OK 99 99 100 100 1.9-2.2 10739/2.1=96...(16) QD1 ILE 32 + HA ALA 28 OK 72 91 100 79 2.6-5.2 934/3.6=30, ~10772=30...(8) QD1 ILE 37 - HA ALA 29 far 0 100 0 - 8.5-9.5 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 4 assignments used, quality = 1.00: QG2 ILE 32 + HA ALA 29 OK 100 100 100 100 3.0-3.5 2.1/10734=100, 10751=100...(21) QG2 ILE 32 + HA ALA 28 OK 65 93 85 82 5.5-7.1 ~10772=46, 930/10780=41...(7) QD2 LEU 22 - HA ALA 29 far 5 93 5 - 6.7-18.3 QD2 LEU 22 - HA ALA 28 far 4 83 5 - 4.1-17.1 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 4 assignments used, quality = 0.00: HB2 LYS 31 - HA ALA 29 far 0 73 0 - 6.4-7.1 HB2 LYS 24 - HA ALA 28 far 0 53 0 - 8.4-13.7 HB2 LYS 31 - HA ALA 28 far 0 63 0 - 8.5-9.9 HB2 LYS 24 - HA ALA 29 far 0 63 0 - 9.4-14.8 Violated in 20 structures by 1.55 A. Peak 10783 from cnoeabs.peaks (1.81, 4.23, 52.53 ppm; 3.44 A): 1 out of 10 assignments used, quality = 1.00: HB ILE 32 + HA ALA 29 OK 100 100 100 100 1.9-2.5 10818=76, 10790/2.1=62...(19) HB3 LYS 26 - HA ALA 29 far 5 100 5 - 3.9-7.0 HB3 LYS 26 - HA ALA 28 far 5 92 5 - 4.0-7.0 HB ILE 32 - HA ALA 28 far 0 92 0 - 5.9-7.1 HB2 LYS 36 - HA ALA 29 far 0 100 0 - 6.4-8.4 HB3 LYS 31 - HA ALA 29 far 0 100 0 - 7.0-7.5 HB3 ARG 23 - HA ALA 28 far 0 90 0 - 7.7-16.0 HB3 LYS 31 - HA ALA 28 far 0 92 0 - 9.0-10.2 HB3 LYS 24 - HA ALA 28 far 0 93 0 - 9.3-14.5 HB3 LYS 24 - HA ALA 29 far 0 100 0 - 9.4-15.8 Violated in 0 structures by 0.00 A. Peak 10784 from cnoeabs.peaks (1.95, 4.23, 52.53 ppm; 5.44 A increased from 4.83 A): 3 out of 4 assignments used, quality = 1.00: HB2 GLU 30 + HA ALA 29 OK 99 99 100 100 4.9-5.3 6318/3.6=86...(17) HB2 GLU 30 + HA ALA 28 OK 91 91 100 100 4.9-5.7 10791/2.1=100, ~10744=61...(18) HB2 GLN 27 + HA ALA 28 OK 73 81 90 100 4.7-6.4 1.8/10785=88, ~6298=74...(20) HB2 GLN 27 - HA ALA 29 far 0 92 0 - 6.8-8.5 Violated in 0 structures by 0.00 A. Peak 10785 from cnoeabs.peaks (2.04, 4.23, 52.53 ppm; 5.14 A): 1 out of 4 assignments used, quality = 0.70: HB3 GLN 27 + HA ALA 28 OK 70 70 100 100 3.8-5.5 6298/3.0=74...(21) HB3 GLU 30 - HA ALA 29 far 4 83 5 - 5.7-6.2 HB3 GLN 27 - HA ALA 29 far 4 81 5 - 5.6-7.2 HB3 GLU 30 - HA ALA 28 far 0 72 0 - 5.7-7.3 Violated in 2 structures by 0.03 A. Peak 10786 from cnoeabs.peaks (2.33, 4.23, 52.53 ppm; 6.62 A increased from 5.30 A): 4 out of 4 assignments used, quality = 1.00: HG3 GLU 30 + HA ALA 29 OK 99 100 100 99 5.9-6.9 6321/3.6=90, ~10787=47...(11) HG3 GLU 30 + HA ALA 28 OK 87 92 95 100 5.0-7.9 10800/2.1=99, ~10743=93...(16) HG2 GLN 27 + HA ALA 28 OK 58 58 100 100 4.3-6.6 3.0/10785=94, ~10762=80...(19) HG2 GLN 27 + HA ALA 29 OK 57 68 95 89 3.9-7.3 ~10788=70...(8) Violated in 0 structures by 0.00 A. Peak 10790 from cnoeabs.peaks (1.80, 1.38, 19.08 ppm; 3.39 A increased from 3.19 A): 1 out of 23 assignments used, quality = 0.93: HB ILE 32 + QB ALA 29 OK 93 93 100 100 2.8-3.5 10783/2.1=59...(26) HB3 LYS 26 - QB ALA 28 far 9 91 10 - 3.7-6.5 HB3 LYS 26 - QB ALA 29 far 0 92 0 - 4.0-7.6 HB2 LYS 36 - QB ALA 29 far 0 95 0 - 5.0-8.1 HB3 LYS 19 - QB ALA 15 far 0 98 0 - 5.1-12.8 HB3 ARG 23 - QB ALA 28 far 0 84 0 - 5.3-15.0 HB ILE 32 - QB ALA 28 far 0 92 0 - 5.9-6.8 HB3 LYS 31 - QB ALA 28 far 0 98 0 - 6.3-7.6 HB3 LYS 24 - QB ALA 28 far 0 97 0 - 6.4-12.7 HB VAL 93 - QB ALA 15 far 0 72 0 - 6.5-34.1 HB2 LYS 86 - QB ALA 15 far 0 97 0 - 6.7-33.6 HB3 LYS 31 - QB ALA 29 far 0 99 0 - 7.0-7.7 HB2 ARG 84 - QB ALA 15 far 0 99 0 - 7.5-39.8 HB3 ARG 23 - QB ALA 15 far 0 84 0 - 7.6-16.0 HB2 LEU 100 - QB ALA 15 far 0 86 0 - 7.6-34.9 HB3 LEU 103 - QB ALA 109 far 0 62 0 - 7.6-8.7 HB3 LYS 24 - QB ALA 29 far 0 97 0 - 7.8-14.9 HB3 LEU 103 - QB ALA 108 far 0 93 0 - 7.9-9.1 HB3 LEU 98 - QB ALA 15 far 0 84 0 - 8.3-37.0 HG LEU 100 - QB ALA 15 far 0 64 0 - 8.6-36.3 HB3 ARG 135 - QB ALA 15 far 0 92 0 - 9.1-41.1 HB3 ARG 23 - QB ALA 29 far 0 85 0 - 9.7-15.5 HB2 LYS 36 - QB ALA 28 far 0 94 0 - 9.9-11.2 Violated in 2 structures by 0.01 A. Peak 10791 from cnoeabs.peaks (1.95, 1.38, 19.08 ppm; 3.50 A increased from 3.29 A): 1 out of 18 assignments used, quality = 0.96: HB2 GLU 30 + QB ALA 28 OK 96 99 100 97 2.4-3.6 10741=57, 3.0/10744=41...(13) HB3 PRO 81 - QB ALA 15 far 0 99 0 - 4.1-36.3 HB2 PRO 58 - QB ALA 110 far 0 99 0 - 4.1-6.0 HB2 GLN 27 - QB ALA 28 far 0 91 0 - 4.5-5.1 HB3 ARG 90 - QB ALA 15 far 0 100 0 - 4.7-33.1 HB2 GLU 30 - QB ALA 29 far 0 99 0 - 4.8-5.3 HB2 PRO 58 - QB ALA 109 far 0 68 0 - 5.2-6.9 HB2 GLN 27 - QB ALA 29 far 0 92 0 - 6.5-8.3 HB2 MET 11 - QB ALA 15 far 0 64 0 - 7.0-12.7 HG2 PRO 113 - QB ALA 109 far 0 53 0 - 7.2-8.2 HB3 LYS 86 - QB ALA 15 far 0 99 0 - 7.2-34.4 HB2 GLN 27 - QB ALA 15 far 0 91 0 - 7.7-23.5 HB2 PRO 58 - QB ALA 108 far 0 98 0 - 7.7-9.7 HB2 LYS 95 - QB ALA 15 far 0 94 0 - 8.4-38.2 HB3 LYS 95 - QB ALA 15 far 0 97 0 - 8.5-39.0 HB ILE 37 - QB ALA 15 far 0 86 0 - 9.1-29.7 HB ILE 37 - QB ALA 29 far 0 87 0 - 9.3-11.8 HG2 PRO 113 - QB ALA 110 far 0 84 0 - 9.4-10.5 Violated in 2 structures by 0.00 A. Peak 10792 from cnoeabs.peaks (2.33, 1.38, 19.08 ppm; 3.75 A increased from 3.34 A): 2 out of 13 assignments used, quality = 0.95: HG3 GLU 30 + QB ALA 28 OK 93 100 95 99 2.3-4.9 10744=68, 3.0/10791=61...(14) HG2 GLN 27 + QB ALA 28 OK 27 80 35 98 4.1-6.3 3.0/10762=43...(20) HG3 GLN 27 - QB ALA 28 poor 19 64 30 - 4.1-6.3 HG3 GLU 30 - QB ALA 29 far 0 100 0 - 4.7-6.5 HG2 GLN 27 - QB ALA 29 far 0 81 0 - 4.7-7.5 HG3 GLN 27 - QB ALA 29 far 0 65 0 - 5.0-8.2 HB VAL 77 - QB ALA 15 far 0 100 0 - 6.9-31.7 HG2 GLN 27 - QB ALA 15 far 0 79 0 - 6.9-23.3 HG3 GLN 27 - QB ALA 15 far 0 64 0 - 7.0-24.1 HG2 GLU 102 - QB ALA 108 far 0 61 0 - 7.6-11.7 HG3 GLN 68 - QB ALA 15 far 0 98 0 - 8.2-33.9 HG2 GLU 102 - QB ALA 109 far 0 37 0 - 8.7-11.8 HB2 PRO 117 - QB ALA 109 far 0 32 0 - 9.2-10.1 Violated in 1 structures by 0.01 A. Peak 10796 from cnoeabs.peaks (1.38, 4.22, 56.42 ppm; 4.26 A): 3 out of 12 assignments used, quality = 1.00: QB ALA 28 + HA GLU 30 OK 99 100 100 99 3.9-4.7 10791/3.0=75...(15) QB ALA 29 + HA GLU 30 OK 99 100 100 99 3.8-4.2 3.7/759=73, 4.9=66...(16) QB ALA 28 + HA GLN 27 OK 33 41 80 100 3.7-5.0 6304/3.6=79...(13) HG3 LYS 26 - HA GLN 27 far 6 41 15 - 4.4-6.6 QB ALA 29 - HA GLN 27 far 0 41 0 - 5.4-7.9 HG3 LYS 31 - HA GLU 30 far 0 98 0 - 6.5-7.6 HG3 LYS 26 - HA GLU 30 far 0 100 0 - 7.8-11.4 QB ALA 15 - HA GLN 27 far 0 41 0 - 8.7-23.4 HG2 LYS 19 - HA GLN 27 far 0 32 0 - 8.7-19.9 HG3 LYS 31 - HA GLN 27 far 0 38 0 - 8.9-12.5 HG2 LYS 24 - HA GLN 27 far 0 41 0 - 10.0-11.7 QB ALA 12 - HA GLU 30 far 0 78 0 - 10.0-35.6 Violated in 0 structures by 0.00 A. Peak 10797 from cnoeabs.peaks (1.38, 1.96, 29.50 ppm; 4.64 A): 3 out of 15 assignments used, quality = 1.00: QB ALA 28 + HB2 GLU 30 OK 100 100 100 100 2.4-3.6 10791=99, 10744/3.0=71...(12) QB ALA 29 + HB2 GLU 30 OK 84 100 85 99 4.8-5.3 3.7/6318=74...(13) QB ALA 28 + HB2 GLN 27 OK 84 84 100 100 4.5-5.1 10762/1.8=81...(16) HG3 LYS 26 - HB2 GLN 27 far 8 83 10 - 4.7-7.8 HG3 LYS 26 - HB2 GLU 30 far 0 100 0 - 5.4-10.6 HG3 LYS 31 - HB2 GLU 30 far 0 99 0 - 6.3-7.1 QB ALA 29 - HB2 GLN 27 far 0 83 0 - 6.5-8.3 HG3 LYS 31 - HB2 GLN 27 far 0 82 0 - 7.0-11.9 HG2 LYS 24 - HB2 GLN 27 far 0 83 0 - 7.4-13.2 QB ALA 15 - HB2 GLN 27 far 0 84 0 - 7.7-23.5 HG2 LYS 19 - HB2 GLN 27 far 0 63 0 - 7.8-20.3 QB ALA 16 - HB2 GLU 30 far 0 83 0 - 9.8-25.1 QB ALA 12 - HB2 GLU 30 far 0 71 0 - 9.8-33.5 QB ALA 16 - HB2 GLN 27 far 0 63 0 - 9.9-21.9 HG2 LYS 24 - HB2 GLU 30 far 0 100 0 - 9.9-18.2 Violated in 0 structures by 0.00 A. Peak 10798 from cnoeabs.peaks (1.39, 2.02, 29.50 ppm; 5.04 A increased from 4.74 A): 3 out of 10 assignments used, quality = 1.00: QB ALA 28 + HB3 GLU 30 OK 100 100 100 100 3.0-5.0 10791/1.8=98...(12) HG3 LYS 31 + HB3 GLU 30 OK 30 100 40 75 5.3-7.3 5.0/6327=64...(3) QB ALA 29 + HB3 GLU 30 OK 25 99 25 99 5.2-6.0 3.7/6319=79...(14) HG3 LYS 26 - HB3 GLU 30 far 0 99 0 - 6.0-11.9 QB ALA 16 - HB3 GLU 30 far 0 89 0 - 8.7-25.6 QB ALA 109 - HB3 PRO 56 far 0 43 0 - 8.7-9.9 QB ALA 12 - HB3 GLU 30 far 0 63 0 - 8.8-33.8 HG2 LYS 19 - HB3 GLU 30 far 0 76 0 - 9.0-24.1 QB ALA 110 - HB3 PRO 56 far 0 42 0 - 9.5-11.1 HG2 LYS 24 - HB3 GLU 30 far 0 99 0 - 9.8-19.4 Violated in 0 structures by 0.00 A. Peak 10799 from cnoeabs.peaks (1.40, 2.29, 35.22 ppm; 4.60 A): 2 out of 12 assignments used, quality = 0.98: QB ALA 28 + HG2 GLU 30 OK 95 96 100 99 3.1-4.5 10791/3.0=72...(13) HG LEU 96 + HG2 GLU 97 OK 70 71 100 100 2.9-4.1 10010/1.8=70...(23) QB ALA 29 - HG2 GLU 30 far 14 92 15 - 4.8-6.9 QB ALA 15 - HG2 GLU 97 far 3 62 5 - 5.1-33.3 HB2 LEU 96 - HG2 GLU 97 far 0 59 0 - 5.3-6.1 HG3 LYS 31 - HG2 GLU 30 far 0 100 0 - 5.7-8.7 HG3 LYS 95 - HG2 GLU 97 far 0 66 0 - 6.1-8.1 HG2 LYS 95 - HG2 GLU 97 far 0 67 0 - 6.5-9.0 QB ALA 16 - HG2 GLU 97 far 0 67 0 - 6.6-36.5 HB3 LEU 100 - HG2 GLU 97 far 0 58 0 - 6.9-7.9 HG3 LYS 26 - HG2 GLU 30 far 0 93 0 - 7.3-12.7 HG2 LYS 24 - HG2 GLU 30 far 0 90 0 - 9.4-20.5 Violated in 0 structures by 0.00 A. Peak 10800 from cnoeabs.peaks (1.39, 2.33, 35.22 ppm; 4.45 A): 1 out of 6 assignments used, quality = 0.99: QB ALA 28 + HG3 GLU 30 OK 99 100 100 99 2.3-4.9 10791/3.0=78, 10792=76...(13) QB ALA 29 - HG3 GLU 30 poor 20 99 20 - 4.7-6.5 HG3 LYS 31 - HG3 GLU 30 far 5 100 5 - 4.3-8.8 HB2 LEU 42 - HG2 GLU 40 far 0 64 0 - 7.1-8.2 HG3 LYS 26 - HG3 GLU 30 far 0 99 0 - 8.1-12.1 HG2 LYS 36 - HG2 GLU 40 far 0 65 0 - 9.7-11.9 Violated in 1 structures by 0.02 A. Peak 10801 from cnoeabs.peaks (0.88, 2.33, 35.22 ppm; 5.18 A): 0 out of 5 assignments used, quality = 0.00: QD1 LEU 22 - HG3 GLU 30 far 0 95 0 - 6.9-19.5 QG2 ILE 32 - HG3 GLU 30 far 0 65 0 - 7.3-8.5 QD2 LEU 48 - HG2 GLU 40 far 0 37 0 - 9.2-13.9 QG1 VAL 20 - HG3 GLU 30 far 0 68 0 - 9.8-20.6 QG2 VAL 20 - HG3 GLU 30 far 0 97 0 - 10.0-20.3 Violated in 20 structures by 2.51 A. Peak 10804 from cnoeabs.peaks (0.77, 2.96, 41.80 ppm; 3.81 A increased from 3.58 A): 4 out of 21 assignments used, quality = 1.00: QD1 ILE 32 + HE2 LYS 26 OK 92 98 95 98 1.9-4.6 930/10766=47, 9008=35...(53) QD1 ILE 32 + HE3 LYS 26 OK 78 98 80 99 3.0-5.3 9008=33, 9008/1.8=31...(83) QD1 ILE 37 + HE2 LYS 36 OK 56 94 70 86 3.9-5.6 10918/3.0=30...(11) QD1 ILE 37 + HE3 LYS 36 OK 46 97 55 86 4.0-6.3 10918/3.0=30...(11) QD1 ILE 37 - HE2 LYS 26 far 0 97 0 - 6.1-10.3 QG1 VAL 93 - HE2 LYS 19 far 0 78 0 - 6.3-33.9 QG1 VAL 93 - HE3 LYS 19 far 0 83 0 - 6.3-34.3 QD1 ILE 32 - HE3 LYS 31 far 0 98 0 - 6.8-10.2 QD1 ILE 37 - HE3 LYS 26 far 0 97 0 - 6.9-11.2 QD1 ILE 32 - HE2 LYS 31 far 0 99 0 - 7.1-10.3 QD1 ILE 37 - HE3 LYS 31 far 0 97 0 - 7.5-12.1 QD1 ILE 37 - HE2 LYS 31 far 0 98 0 - 7.6-11.8 QG1 VAL 93 - HE3 LYS 86 far 0 80 0 - 8.1-10.4 QD1 ILE 32 - HE3 LYS 36 far 0 98 0 - 8.2-9.8 QD1 ILE 32 - HE2 LYS 19 far 0 96 0 - 8.5-21.8 QD1 ILE 32 - HE2 LYS 36 far 0 95 0 - 8.5-10.0 QD2 LEU 96 - HE2 LYS 19 far 0 76 0 - 9.6-36.1 QD2 LEU 96 - HE3 LYS 19 far 0 81 0 - 9.7-36.6 QG1 VAL 93 - HE3 LYS 24 far 0 82 0 - 9.7-23.7 QD1 ILE 32 - HE3 LYS 19 far 0 99 0 - 9.7-22.8 QG1 VAL 93 - HE2 LYS 24 far 0 73 0 - 9.9-25.0 Violated in 0 structures by 0.00 A. Peak 10808 from cnoeabs.peaks (8.41, 4.11, 61.16 ppm; 4.60 A): 2 out of 3 assignments used, quality = 0.83: H ALA 34 + HA ILE 32 OK 75 76 100 99 3.9-4.2 6369/6360=72...(10) H ASP 35 + HA ILE 32 OK 30 76 70 56 4.8-5.6 11784/904=23...(4) H GLN 27 - HA ILE 32 far 8 81 10 - 4.8-7.5 Violated in 0 structures by 0.00 A. Peak 10810 from cnoeabs.peaks (8.43, 1.82, 38.56 ppm; 5.58 A): 1 out of 1 assignment used, quality = 1.00: H ALA 34 + HB ILE 32 OK 100 100 100 100 4.6-5.6 6369/6361=99...(12) Violated in 1 structures by 0.00 A. Peak 10811 from cnoeabs.peaks (8.43, 0.85, 17.13 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: H ALA 34 + QG2 ILE 32 OK 100 100 100 100 2.2-3.1 6369/6362=83...(13) H SER 74 - QG2 ILE 32 far 0 68 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 10812 from cnoeabs.peaks (8.45, 0.78, 12.54 ppm; 5.29 A increased from 4.98 A): 1 out of 1 assignment used, quality = 0.82: H ALA 34 + QD1 ILE 32 OK 82 85 100 97 4.4-5.5 10811/930=63...(10) Violated in 1 structures by 0.01 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 SER 38 + QD1 ILE 37 OK 98 98 100 100 5.9-6.0 3.0/6426=87...(18) HA TYR 72 + QD1 ILE 37 OK 83 83 100 100 2.2-3.2 10832/2.1=91...(23) HA ASP 35 + QD1 ILE 37 OK 33 99 35 96 5.5-6.4 9012/6417=74...(7) Violated in 0 structures by 0.00 A. Peak 10814 from cnoeabs.peaks (4.24, 1.44, 27.21 ppm; 4.53 A): 3 out of 5 assignments used, quality = 1.00: HA ALA 29 + HG13 ILE 32 OK 99 99 100 100 1.7-2.1 10738/1.8=85...(21) HA GLU 30 + HG13 ILE 32 OK 79 97 85 96 4.9-5.7 3.0/10769=63...(13) HA ALA 28 + HG13 ILE 32 OK 45 100 55 82 4.1-6.0 10776/2.1=34, ~10772=32...(10) HA GLN 27 - HG13 ILE 32 poor 20 99 20 - 3.6-7.3 HA ALA 34 - HG13 ILE 32 far 0 97 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 10815 from cnoeabs.peaks (4.23, 1.16, 27.21 ppm; 5.01 A): 2 out of 6 assignments used, quality = 1.00: HA ALA 29 + HG12 ILE 32 OK 100 100 100 100 3.3-3.5 10738=99, 10734/2.9=94...(24) HA ALA 28 + HG12 ILE 32 OK 20 97 25 84 4.8-7.5 10776/2.1=37...(11) HA GLN 27 - HG12 ILE 32 poor 18 89 20 - 3.1-7.5 HA GLU 30 - HG12 ILE 32 far 0 100 0 - 6.3-7.3 HB THR 25 - HG12 ILE 32 far 0 71 0 - 6.5-12.0 HA ALA 34 - HG12 ILE 32 far 0 100 0 - 7.0-8.5 Violated in 0 structures by 0.00 A. Peak 10816 from cnoeabs.peaks (4.27, 1.16, 27.21 ppm; 5.97 A increased from 5.31 A): 3 out of 7 assignments used, quality = 1.00: HA LYS 31 + HG12 ILE 32 OK 100 100 100 100 5.6-6.4 6342/6354=100, ~6333=53...(9) HA LYS 26 + HG12 ILE 32 OK 79 100 80 100 2.0-7.2 5.0/10767=67...(25) HA GLN 27 + HG12 ILE 32 OK 31 57 55 98 3.1-7.5 3.0/10768=62...(10) HA THR 25 - HG12 ILE 32 far 9 89 10 - 5.6-10.5 HA ARG 23 - HG12 ILE 32 far 5 96 5 - 5.8-13.0 HA LEU 22 - HG12 ILE 32 far 0 99 0 - 7.9-17.9 HA LYS 36 - HG12 ILE 32 far 0 100 0 - 9.0-10.4 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 6 assignments used, quality = 1.00: HA ALA 29 + QG2 ILE 32 OK 99 99 100 100 3.0-3.5 10734/2.1=87...(21) HA ALA 34 + QG2 ILE 32 OK 80 97 85 97 4.2-4.8 3.0/10811=56...(10) HA GLN 27 - QG2 ILE 32 far 15 99 15 - 4.4-8.3 HA ALA 28 - QG2 ILE 32 far 0 100 0 - 5.5-7.1 HA GLU 30 - QG2 ILE 32 far 0 97 0 - 6.5-7.2 HB3 SER 38 - QG2 ILE 32 far 0 95 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 10818 from cnoeabs.peaks (4.23, 1.82, 38.56 ppm; 3.77 A): 1 out of 6 assignments used, quality = 1.00: HA ALA 29 + HB ILE 32 OK 100 100 100 100 1.9-2.5 10783=100, 10751/2.1=70...(20) HA GLU 30 - HB ILE 32 far 0 100 0 - 5.4-6.3 HA GLN 27 - HB ILE 32 far 0 93 0 - 5.4-9.6 HA ALA 28 - HB ILE 32 far 0 99 0 - 5.9-7.1 HB THR 25 - HB ILE 32 far 0 63 0 - 6.5-12.5 HA ALA 34 - HB ILE 32 far 0 100 0 - 6.9-7.9 Violated in 0 structures by 0.00 A. Peak 10820 from cnoeabs.peaks (4.23, 4.11, 61.16 ppm; 4.77 A increased from 4.02 A): 1 out of 6 assignments used, quality = 1.00: HA ALA 29 + HA ILE 32 OK 100 100 100 100 4.4-4.8 10734/3.0=89...(14) HA GLN 27 - HA ILE 32 far 9 93 10 - 5.1-9.9 HA ALA 34 - HA ILE 32 far 0 100 0 - 6.6-6.9 HA GLU 30 - HA ILE 32 far 0 100 0 - 6.8-7.3 HA ALA 28 - HA ILE 32 far 0 99 0 - 6.9-9.4 HB THR 25 - HA ILE 32 far 0 63 0 - 8.0-13.9 Violated in 0 structures by 0.00 A. Peak 10821 from cnoeabs.peaks (4.39, 4.11, 61.16 ppm; 4.70 A increased from 4.42 A): 1 out of 2 assignments used, quality = 1.00: HA SER 33 + HA ILE 32 OK 100 100 100 100 4.4-4.5 10857=99, 3.0/6360=98...(19) HA ASP 71 - HA ILE 32 far 0 73 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 10822 from cnoeabs.peaks (3.87, 4.11, 61.16 ppm; 5.17 A increased from 4.60 A): 1 out of 1 assignment used, quality = 0.83: HB3 SER 33 + HA ILE 32 OK 83 83 100 100 5.0-5.6 4.0/6360=92...(15) Violated in 3 structures by 0.06 A. Peak 10823 from cnoeabs.peaks (2.66, 4.11, 61.16 ppm; 4.30 A): 0 out of 1 assignment used, quality = 0.00: HB2 ASP 35 - HA ILE 32 far 0 96 0 - 5.9-7.3 Violated in 20 structures by 2.41 A. Peak 10824 from cnoeabs.peaks (2.74, 4.11, 61.16 ppm; 4.76 A): 0 out of 1 assignment used, quality = 0.00: HB3 ASP 35 - HA ILE 32 far 5 97 5 - 5.2-6.6 Violated in 20 structures by 1.13 A. Peak 10825 from cnoeabs.peaks (2.96, 1.82, 38.56 ppm; 6.23 A increased from 5.54 A): 2 out of 6 assignments used, quality = 0.98: HE2 LYS 26 + HB ILE 32 OK 97 97 100 100 4.9-6.6 10766/2.1=78...(43) HE3 LYS 26 + HB ILE 32 OK 34 97 35 100 4.6-7.5 ~10766=75, ~10840=74...(55) HE2 LYS 31 - HB ILE 32 far 10 99 10 - 6.3-10.3 HE3 LYS 36 - HB ILE 32 far 0 100 0 - 6.9-8.8 HE3 LYS 31 - HB ILE 32 far 0 97 0 - 7.1-10.4 HE2 LYS 36 - HB ILE 32 far 0 100 0 - 7.3-9.1 Violated in 0 structures by 0.00 A. Peak 10827 from cnoeabs.peaks (4.31, 0.78, 12.54 ppm; 4.64 A): 0 out of 7 assignments used, quality = 0.00: HA THR 25 - QD1 ILE 32 far 4 81 5 - 3.0-8.7 HA LYS 24 - QD1 ILE 32 far 0 76 0 - 6.7-12.1 HA ARG 23 - QD1 ILE 32 far 0 68 0 - 6.8-12.4 HA2 GLY 75 - QD1 ILE 32 far 0 99 0 - 7.3-10.3 HA THR 18 - QD1 ILE 32 far 0 83 0 - 8.7-20.1 HA ALA 21 - QD1 ILE 32 far 0 78 0 - 9.1-17.1 HA TYR 76 - QD1 ILE 32 far 0 100 0 - 9.2-11.2 Violated in 19 structures by 1.42 A. Peak 10828 from cnoeabs.peaks (4.38, 0.85, 17.13 ppm; 4.48 A): 1 out of 2 assignments used, quality = 0.97: HA SER 33 + QG2 ILE 32 OK 97 97 100 100 3.0-3.5 10777=95, 3.0/6362=86...(27) HA ASP 78 - QG2 ILE 32 far 0 100 0 - 8.1-11.8 Violated in 0 structures by 0.00 A. Peak 10831 from cnoeabs.peaks (1.36, 4.11, 61.16 ppm; 6.80 A): 3 out of 7 assignments used, quality = 0.99: QB ALA 29 + HA ILE 32 OK 92 92 100 100 5.4-5.8 2.1/10820=100, ~10734=93...(18) HG3 LYS 31 + HA ILE 32 OK 70 71 100 99 4.5-6.5 ~809=78, ~6343=77...(8) HG3 LYS 26 + HA ILE 32 OK 63 90 70 100 4.4-8.7 2.9/10832=64...(32) QB ALA 28 - HA ILE 32 poor 15 87 45 39 6.0-8.0 ~10781=25, 11541/4.2=16 QB ALA 12 - HA ILE 32 far 5 99 5 - 6.6-31.9 HG2 LYS 36 - HA ILE 32 far 0 92 0 - 8.7-8.9 HG2 LYS 24 - HA ILE 32 far 0 93 0 - 8.7-16.5 Violated in 0 structures by 0.00 A. Peak 10832 from cnoeabs.peaks (1.67, 4.11, 61.16 ppm; 4.79 A): 2 out of 6 assignments used, quality = 0.84: HD2 LYS 26 + HA ILE 32 OK 74 99 75 99 2.0-7.2 10833/3.0=38...(58) HD3 LYS 26 + HA ILE 32 OK 39 97 40 100 2.8-6.4 10767/891=54, ~10833=31...(58) HD3 LYS 31 - HA ILE 32 poor 20 99 20 - 4.4-7.6 HD2 LYS 31 - HA ILE 32 far 15 99 15 - 4.4-7.4 HD2 LYS 36 - HA ILE 32 far 0 100 0 - 6.4-6.6 HD3 LYS 36 - HA ILE 32 far 0 100 0 - 7.8-8.1 Violated in 6 structures by 0.20 A. Peak 10833 from cnoeabs.peaks (1.68, 1.82, 38.56 ppm; 4.95 A increased from 4.66 A): 2 out of 6 assignments used, quality = 0.90: HD2 LYS 26 + HB ILE 32 OK 83 83 100 100 4.2-5.1 ~10767=51, 10763/3.0=44...(56) HD3 LYS 26 + HB ILE 32 OK 39 78 50 100 3.4-6.5 10767/2.9=69, ~10766=44...(61) HD2 LYS 36 - HB ILE 32 far 0 97 0 - 5.9-6.8 HD3 LYS 31 - HB ILE 32 far 0 83 0 - 6.5-9.3 HD2 LYS 31 - HB ILE 32 far 0 85 0 - 6.7-8.8 HD3 LYS 36 - HB ILE 32 far 0 97 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 10834 from cnoeabs.peaks (2.02, 1.82, 38.56 ppm; 6.66 A increased from 5.92 A): 1 out of 1 assignment used, quality = 1.00: HB3 GLU 30 + HB ILE 32 OK 100 100 100 100 6.4-6.9 10830/6352=97, ~10769=85...(10) Violated in 1 structures by 0.01 A. Peak 10837 from cnoeabs.peaks (1.67, 0.85, 17.13 ppm; 4.18 A increased from 3.52 A): 3 out of 8 assignments used, quality = 0.99: HD2 LYS 26 + QG2 ILE 32 OK 93 93 100 100 2.1-4.3 3.0/10766=52, 10812=38...(79) HD3 LYS 26 + QG2 ILE 32 OK 77 90 85 100 2.4-5.2 3.0/10766=52...(84) HD2 LYS 36 + QG2 ILE 32 OK 40 100 45 89 4.5-5.2 3.5/10810=43...(11) HD3 LYS 36 - QG2 ILE 32 far 0 100 0 - 5.8-6.5 HD2 LYS 31 - QG2 ILE 32 far 0 95 0 - 5.9-8.5 HD3 LYS 31 - QG2 ILE 32 far 0 93 0 - 6.0-8.7 HD3 LYS 24 - QG2 ILE 32 far 0 93 0 - 9.2-13.7 HD2 LYS 24 - QG2 ILE 32 far 0 95 0 - 9.3-14.8 Violated in 0 structures by 0.00 A. Peak 10840 from cnoeabs.peaks (2.97, 0.85, 17.13 ppm; 3.94 A): 2 out of 7 assignments used, quality = 0.99: HE2 LYS 26 + QG2 ILE 32 OK 98 99 100 99 2.5-3.9 10757=64, 9008/930=28...(54) HE3 LYS 26 + QG2 ILE 32 OK 25 99 25 99 2.0-5.4 1.8/10757=50...(82) HE3 LYS 36 - QG2 ILE 32 far 0 96 0 - 5.9-7.5 HE2 LYS 36 - QG2 ILE 32 far 0 90 0 - 6.0-7.6 HE2 LYS 31 - QG2 ILE 32 far 0 98 0 - 6.3-9.6 HE3 LYS 31 - QG2 ILE 32 far 0 99 0 - 6.5-9.7 HE2 LYS 19 - QG2 ILE 32 far 0 92 0 - 8.9-22.4 Violated in 0 structures by 0.00 A. Peak 10842 from cnoeabs.peaks (1.68, 1.16, 27.21 ppm; 4.78 A): 2 out of 6 assignments used, quality = 0.98: HD3 LYS 26 + HG12 ILE 32 OK 85 85 100 100 2.4-4.9 ~10833=31, ~10766=31...(95) HD2 LYS 26 + HG12 ILE 32 OK 84 89 95 100 1.9-5.8 10833/2.9=43...(89) HD2 LYS 31 - HG12 ILE 32 far 5 90 5 - 5.1-8.9 HD3 LYS 31 - HG12 ILE 32 far 0 89 0 - 5.4-9.0 HD2 LYS 36 - HG12 ILE 32 far 0 99 0 - 7.9-8.6 HD3 LYS 36 - HG12 ILE 32 far 0 99 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 10843 from cnoeabs.peaks (1.95, 1.16, 27.21 ppm; 5.88 A increased from 5.23 A): 2 out of 2 assignments used, quality = 1.00: HB2 GLU 30 + HG12 ILE 32 OK 100 100 100 100 5.2-5.9 10769/1.8=99...(17) HB2 GLN 27 + HG12 ILE 32 OK 52 96 55 99 5.6-7.2 1.8/10768=67...(10) Violated in 0 structures by 0.00 A. Peak 10844 from cnoeabs.peaks (2.38, 1.16, 27.21 ppm; 5.89 A): 2 out of 2 assignments used, quality = 0.93: HG3 GLN 27 + HG12 ILE 32 OK 80 81 100 99 3.5-6.2 1.8/10725=64...(12) HG2 GLN 27 + HG12 ILE 32 OK 64 65 100 98 3.2-4.9 3.0/10768=60, 10764=43...(12) Violated in 0 structures by 0.00 A. Peak 10845 from cnoeabs.peaks (1.94, 1.44, 27.21 ppm; 4.93 A): 1 out of 2 assignments used, quality = 0.91: HB2 GLU 30 + HG13 ILE 32 OK 91 93 100 98 4.1-4.7 10829/6355=66...(13) HB2 GLN 27 - HG13 ILE 32 far 0 76 0 - 5.8-7.2 Violated in 0 structures by 0.00 A. Peak 10846 from cnoeabs.peaks (2.76, 0.78, 12.54 ppm; 4.47 A): 1 out of 2 assignments used, quality = 0.69: HB3 ASP 35 + QD1 ILE 32 OK 69 96 100 72 3.0-4.7 9413=22, 10883/893=21...(10) HB3 ASP 78 - QD1 ILE 32 far 0 73 0 - 8.1-12.3 Violated in 1 structures by 0.01 A. Peak 10847 from cnoeabs.peaks (3.14, 0.78, 12.54 ppm; 6.29 A): 0 out of 4 assignments used, quality = 0.00: HD3 ARG 23 - QD1 ILE 32 far 3 60 5 - 5.6-14.1 HD2 ARG 23 - QD1 ILE 32 far 3 60 5 - 6.1-15.2 HB2 HIS 6 - QD1 ILE 32 far 0 89 0 - 9.2-44.5 HB3 HIS 6 - QD1 ILE 32 far 0 68 0 - 9.9-43.0 Violated in 19 structures by 3.04 A. Peak 10848 from cnoeabs.peaks (2.63, 0.78, 12.54 ppm; 5.00 A): 0 out of 1 assignment used, quality = 0.00: HB3 CYS 79 - QD1 ILE 32 far 0 90 0 - 8.3-10.8 Violated in 20 structures by 4.21 A. Peak 10849 from cnoeabs.peaks (2.49, 0.78, 12.54 ppm; 5.25 A): 0 out of 1 assignment used, quality = 0.00: HB2 ASP 78 - QD1 ILE 32 far 0 83 0 - 7.3-11.2 Violated in 20 structures by 3.52 A. Peak 10850 from cnoeabs.peaks (1.81, 4.40, 58.29 ppm; 4.07 A): 2 out of 10 assignments used, quality = 1.00: HB2 LYS 36 + HA SER 33 OK 97 100 100 98 2.2-3.9 1.8/10778=72...(9) HB ILE 32 + HA SER 33 OK 95 100 95 100 4.4-5.0 6361/3.0=79...(21) HB3 LYS 19 - HA SER 9 far 0 100 0 - 5.9-33.8 HB3 LEU 103 - HA SER 107 far 0 68 0 - 5.9-7.0 HB3 LYS 31 - HA SER 9 far 0 100 0 - 6.5-42.1 HB3 LYS 26 - HA SER 33 far 0 99 0 - 7.7-10.6 HB3 LYS 31 - HA SER 33 far 0 100 0 - 8.1-8.8 HB3 ARG 23 - HA SER 33 far 0 97 0 - 8.5-18.8 HB3 LEU 98 - HA SER 9 far 0 62 0 - 8.8-39.6 HB2 CYS 79 - HA SER 33 far 0 68 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 10851 from cnoeabs.peaks (0.85, 4.40, 58.29 ppm; 4.15 A): 1 out of 5 assignments used, quality = 1.00: QG2 ILE 32 + HA SER 33 OK 100 100 100 100 3.0-3.5 6362/3.0=78, 10828=75...(27) QD2 LEU 98 - HA SER 9 far 0 70 0 - 4.8-34.0 QD1 LEU 98 - HA SER 9 far 0 96 0 - 6.3-34.5 QD2 LEU 22 - HA SER 9 far 0 97 0 - 6.9-30.2 QG2 VAL 57 - HA SER 107 far 0 83 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 10852 from cnoeabs.peaks (1.40, 4.40, 58.29 ppm; 3.77 A): 1 out of 17 assignments used, quality = 0.59: QB ALA 109 + HA SER 107 OK 59 79 100 75 3.4-3.8 10094/3.0=41...(8) QB ALA 108 - HA SER 107 poor 14 72 20 - 4.3-4.8 HG2 LYS 36 - HA SER 33 far 12 78 15 - 4.3-4.5 QB ALA 34 - HA SER 33 far 0 90 0 - 4.9-5.0 QB ALA 29 - HA SER 33 far 0 78 0 - 5.6-7.6 QB ALA 92 - HA SER 9 far 0 64 0 - 5.8-39.1 HG3 LYS 31 - HA SER 33 far 0 96 0 - 5.8-9.2 HG3 LYS 95 - HA SER 9 far 0 88 0 - 6.3-43.2 QB ALA 110 - HA SER 107 far 0 68 0 - 6.5-8.6 HG2 LYS 95 - HA SER 9 far 0 91 0 - 7.1-44.4 HG3 LYS 31 - HA SER 9 far 0 95 0 - 7.4-42.6 HG3 LYS 26 - HA SER 33 far 0 81 0 - 7.5-10.9 HG2 LYS 24 - HA SER 9 far 0 75 0 - 8.1-37.8 QB ALA 15 - HA SER 9 far 0 82 0 - 8.3-18.1 QB ALA 28 - HA SER 33 far 0 85 0 - 9.6-10.5 QB ALA 108 - HA SER 9 far 0 86 0 - 9.7-43.8 HB3 LEU 100 - HA SER 107 far 0 62 0 - 9.9-11.2 Violated in 1 structures by 0.00 A. Peak 10853 from cnoeabs.peaks (1.87, 4.40, 58.29 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.97: HB3 LYS 36 + HA SER 33 OK 97 97 100 99 2.3-4.1 1.8/10774=87...(10) HB3 LEU 119 - HA SER 107 far 0 89 0 - 7.8-8.8 HB2 ARG 135 - HA SER 9 far 0 62 0 - 10.0-57.4 Violated in 0 structures by 0.00 A. Peak 10854 from cnoeabs.peaks (1.66, 4.40, 58.29 ppm; 4.56 A): 2 out of 16 assignments used, quality = 1.00: HD2 LYS 36 + HA SER 33 OK 97 97 100 99 1.9-2.2 3.5/10774=69...(17) HD3 LYS 36 + HA SER 33 OK 97 97 100 99 3.4-3.8 3.5/10774=69...(18) HD3 LYS 31 - HA SER 9 far 5 100 5 - 4.9-42.3 QB ALA 88 - HA SER 9 far 0 100 0 - 5.6-43.7 HD2 LYS 26 - HA SER 33 far 0 100 0 - 6.1-8.5 HD2 LYS 31 - HA SER 9 far 0 100 0 - 6.2-41.9 HD3 LYS 31 - HA SER 33 far 0 100 0 - 6.3-10.1 HD2 LYS 31 - HA SER 33 far 0 100 0 - 6.4-9.8 HD3 LYS 95 - HA SER 9 far 0 100 0 - 6.7-44.4 HD2 LYS 95 - HA SER 9 far 0 99 0 - 6.9-44.9 HD3 LYS 26 - HA SER 33 far 0 100 0 - 6.9-10.2 HD3 LYS 19 - HA SER 9 far 0 96 0 - 7.1-31.2 HG LEU 62 - HA SER 107 far 0 82 0 - 7.9-10.2 HB2 LEU 98 - HA SER 9 far 0 98 0 - 8.4-39.9 HD2 LYS 19 - HA SER 9 far 0 96 0 - 8.4-31.0 HD3 LYS 24 - HA SER 9 far 0 100 0 - 9.6-38.7 Violated in 0 structures by 0.00 A. Peak 10856 from cnoeabs.peaks (1.82, 3.85, 63.71 ppm; 4.90 A increased from 4.61 A): 1 out of 6 assignments used, quality = 0.95: HB2 LYS 36 + HB3 SER 33 OK 95 100 95 100 4.6-5.5 10774/946=83, ~10778=55...(11) HB ILE 32 - HB3 SER 33 far 0 100 0 - 6.4-6.9 HB3 ARG 23 - HB3 SER 33 far 0 100 0 - 6.9-20.1 HB3 LYS 26 - HB3 SER 33 far 0 100 0 - 8.2-11.4 HB3 LYS 31 - HB3 SER 33 far 0 99 0 - 8.9-9.9 HB2 CYS 79 - HB3 SER 33 far 0 83 0 - 9.7-11.0 Violated in 2 structures by 0.05 A. Peak 10857 from cnoeabs.peaks (4.11, 4.40, 58.29 ppm; 4.54 A increased from 4.04 A): 1 out of 6 assignments used, quality = 1.00: HA ILE 32 + HA SER 33 OK 100 100 100 100 4.4-4.5 6360/3.0=96, 10821=90...(19) HA GLN 104 - HA SER 107 poor 13 66 20 - 4.4-6.7 HA3 GLY 114 - HA SER 107 far 0 79 0 - 8.9-12.1 HA PHE 89 - HA SER 9 far 0 72 0 - 9.1-48.3 HA GLN 101 - HA SER 107 far 0 87 0 - 9.4-10.5 HA LEU 98 - HA SER 9 far 0 99 0 - 9.6-39.9 Violated in 0 structures by 0.00 A. Peak 10858 from cnoeabs.peaks (4.10, 3.91, 63.71 ppm; 4.19 A increased from 3.94 A): 2 out of 4 assignments used, quality = 0.99: HA ILE 32 + HB2 SER 33 OK 99 99 100 100 3.9-4.5 6360/6367=86...(14) HA GLN 104 + HB2 SER 107 OK 28 78 100 36 2.8-4.6 1492/1.8=16, ~7481=16...(5) HA GLN 101 - HB2 SER 107 far 0 87 0 - 8.2-10.5 HA3 GLY 114 - HB2 SER 107 far 0 62 0 - 9.1-13.7 Violated in 0 structures by 0.00 A. Peak 10859 from cnoeabs.peaks (4.10, 3.85, 63.71 ppm; 3.98 A): 0 out of 1 assignment used, quality = 0.00: HA ILE 32 - HB3 SER 33 far 0 99 0 - 5.0-5.6 Violated in 20 structures by 1.15 A. Peak 10860 from cnoeabs.peaks (1.67, 3.85, 63.71 ppm; 5.23 A): 2 out of 6 assignments used, quality = 1.00: HD2 LYS 36 + HB3 SER 33 OK 99 100 100 99 2.2-4.0 3.5/10856=68...(14) HD3 LYS 36 + HB3 SER 33 OK 99 100 100 99 2.7-4.5 3.5/10856=68...(12) HD2 LYS 26 - HB3 SER 33 far 0 99 0 - 6.1-10.4 HD3 LYS 31 - HB3 SER 33 far 0 99 0 - 6.7-9.8 HD2 LYS 31 - HB3 SER 33 far 0 100 0 - 6.7-10.3 HD3 LYS 26 - HB3 SER 33 far 0 99 0 - 7.1-10.9 Violated in 0 structures by 0.00 A. Peak 10861 from cnoeabs.peaks (1.40, 3.85, 63.71 ppm; 4.48 A increased from 4.22 A): 1 out of 7 assignments used, quality = 0.93: QB ALA 34 + HB3 SER 33 OK 93 93 100 100 4.0-5.0 2.1/10864=85, 2.9/949=82...(8) HG2 LYS 36 - HB3 SER 33 far 7 73 10 - 4.2-6.0 HG3 LYS 26 - HB3 SER 33 far 0 76 0 - 6.4-12.1 HG3 LYS 31 - HB3 SER 33 far 0 93 0 - 6.5-9.7 HG2 LYS 26 - HB3 SER 33 far 0 63 0 - 6.7-11.6 QB ALA 29 - HB3 SER 33 far 0 73 0 - 7.8-9.3 QB ALA 15 - HB3 SER 33 far 0 78 0 - 7.9-25.3 Violated in 3 structures by 0.05 A. Peak 10862 from cnoeabs.peaks (0.87, 3.85, 63.71 ppm; 4.90 A): 1 out of 3 assignments used, quality = 0.93: QG2 ILE 32 + HB3 SER 33 OK 93 93 100 100 4.4-4.9 6362/6368=81...(20) QG2 VAL 20 - HB3 SER 33 far 0 76 0 - 5.9-19.3 QD1 LEU 22 - HB3 SER 33 far 0 68 0 - 9.1-18.5 Violated in 0 structures by 0.00 A. Peak 10863 from cnoeabs.peaks (0.79, 3.85, 63.71 ppm; 5.36 A): 1 out of 3 assignments used, quality = 0.92: QD1 ILE 37 + HB3 SER 33 OK 92 95 100 98 2.6-3.0 10792/10864=78...(8) QD1 ILE 32 - HB3 SER 33 far 0 92 0 - 6.7-7.5 QD1 LEU 70 - HB3 SER 33 far 0 65 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 10864 from cnoeabs.peaks (4.21, 3.85, 63.71 ppm; 3.93 A): 1 out of 3 assignments used, quality = 0.96: HA ALA 34 + HB3 SER 33 OK 96 97 100 99 3.8-4.4 3.0/949=68, 2.1/10784=63...(12) HB THR 25 - HB3 SER 33 far 0 96 0 - 7.2-17.0 HA ALA 29 - HB3 SER 33 far 0 92 0 - 8.4-9.1 Violated in 3 structures by 0.05 A. Peak 10865 from cnoeabs.peaks (4.20, 3.91, 63.71 ppm; 3.91 A): 0 out of 6 assignments used, quality = 0.00: HA VAL 105 - HB2 SER 107 far 0 81 0 - 5.0-7.2 HA ALA 34 - HB2 SER 33 far 0 76 0 - 5.0-5.7 HB THR 25 - HB2 SER 33 far 0 100 0 - 7.4-17.0 HA SER 99 - HB2 SER 107 far 0 74 0 - 7.4-11.8 HA ALA 29 - HB2 SER 33 far 0 65 0 - 7.5-8.1 HA GLU 30 - HB2 SER 33 far 0 73 0 - 9.0-10.3 Violated in 20 structures by 1.04 A. Peak 10866 from cnoeabs.peaks (1.67, 3.92, 63.62 ppm; 5.25 A): 2 out of 7 assignments used, quality = 0.98: HD2 LYS 36 + HB2 SER 33 OK 86 87 100 98 2.9-4.2 10783/1.8=45...(14) HD3 LYS 36 + HB2 SER 33 OK 85 87 100 98 3.9-5.1 10783/1.8=44...(14) HD3 LYS 31 - HB2 SER 33 poor 17 83 20 - 4.9-8.1 HD2 LYS 31 - HB2 SER 33 far 8 84 10 - 5.0-8.6 HD2 LYS 26 - HB2 SER 33 far 4 83 5 - 4.8-10.0 HD3 LYS 26 - HB2 SER 33 far 0 81 0 - 6.0-10.3 HG LEU 62 - HB2 SER 107 far 0 81 0 - 6.9-9.2 Violated in 0 structures by 0.00 A. Peak 10868 from cnoeabs.peaks (8.25, 4.22, 53.50 ppm; 4.55 A increased from 3.83 A): 1 out of 1 assignment used, quality = 0.87: H SER 33 + HA ALA 34 OK 87 89 100 99 4.3-4.6 6364/2.1=76, 6369/3.0=73...(7) Violated in 2 structures by 0.00 A. Peak 10869 from cnoeabs.peaks (7.98, 4.22, 53.50 ppm; 3.77 A): 2 out of 3 assignments used, quality = 0.99: H ILE 37 + HA ALA 34 OK 93 97 100 97 3.2-3.4 6413/10789=55...(7) H LYS 36 + HA ALA 34 OK 81 87 100 93 3.6-3.7 6385/3.6=52...(10) H SER 38 - HA ALA 34 far 0 100 0 - 6.6-7.0 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 1.9-3.4 2.1/10873=89, 9005=83...(12) 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 2 assignments used, quality = 1.00: QG2 ILE 37 + HA ALA 34 OK 100 100 100 100 4.3-4.5 2.1/10789=88...(12) QG1 VAL 20 - HA ALA 34 far 0 65 0 - 10.0-21.7 Violated in 1 structures by 0.00 A. Peak 10873 from cnoeabs.peaks (0.77, 4.22, 53.50 ppm; 3.58 A): 1 out of 3 assignments used, quality = 0.99: QD1 ILE 37 + HA ALA 34 OK 99 100 100 100 1.8-3.7 10830=62, 3.2/10789=49...(14) QD1 ILE 32 - HA ALA 34 far 0 100 0 - 6.1-7.1 QG1 VAL 93 - HA ALA 34 far 0 71 0 - 9.8-11.3 Violated in 2 structures by 0.01 A. Peak 10874 from cnoeabs.peaks (1.54, 4.22, 53.50 ppm; 4.41 A): 1 out of 2 assignments used, quality = 0.76: HG13 ILE 37 + HA ALA 34 OK 76 76 100 100 2.3-4.3 2.1/10873=90...(12) HB3 LEU 42 - HA ALA 34 far 0 99 0 - 7.6-8.6 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 = 0.98: HB ILE 37 + HA ALA 34 OK 98 99 100 100 3.2-3.7 9003=86, 3.2/10873=57...(9) Violated in 0 structures by 0.00 A. Peak 10877 from cnoeabs.peaks (1.96, 1.42, 18.75 ppm; 4.95 A increased from 4.17 A): 1 out of 8 assignments used, quality = 0.99: HB ILE 37 + QB ALA 34 OK 99 99 100 100 4.4-4.8 10816=96, 10876/2.1=95...(21) HB2 GLN 27 - QB ALA 34 far 0 100 0 - 7.2-11.0 HB3 ARG 90 - QB ALA 16 far 0 50 0 - 8.0-35.7 HB3 PRO 81 - QB ALA 16 far 0 45 0 - 9.0-37.6 HB2 GLU 30 - QB ALA 34 far 0 100 0 - 9.5-10.6 HB2 GLU 30 - QB ALA 16 far 0 53 0 - 9.8-25.1 HB2 GLN 27 - QB ALA 16 far 0 53 0 - 9.9-21.9 HB3 LYS 86 - QB ALA 16 far 0 53 0 - 9.9-36.1 Violated in 0 structures by 0.00 A. Peak 10878 from cnoeabs.peaks (7.98, 1.42, 18.75 ppm; 4.20 A): 3 out of 5 assignments used, quality = 0.99: H LYS 36 + QB ALA 34 OK 95 96 100 99 4.0-4.1 6385/6381=80...(10) H ILE 37 + QB ALA 34 OK 81 89 100 91 4.4-4.6 6415/10915=47...(5) H THR 18 + QB ALA 16 OK 33 49 85 79 3.0-6.0 6134/3.7=57, 6138/4.7=35...(4) H SER 38 - QB ALA 34 far 0 100 0 - 7.2-7.5 H SER 94 - QB ALA 16 far 0 51 0 - 8.1-37.5 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 3 assignments used, quality = 0.00: HA ILE 37 - HA ASP 35 far 0 89 0 - 6.5-7.0 HB2 SER 38 - HA ASP 35 far 0 76 0 - 7.6-9.2 HD3 PRO 81 - HA ASP 35 far 0 100 0 - 9.0-11.4 Violated in 20 structures by 1.93 A. Peak 10882 from cnoeabs.peaks (4.12, 2.67, 40.19 ppm; 5.05 A): 0 out of 2 assignments used, quality = 0.00: HA ILE 32 - HB2 ASP 35 far 0 98 0 - 5.9-7.3 HA CYS 79 - HB2 ASP 35 far 0 96 0 - 8.2-11.8 Violated in 20 structures by 1.49 A. Peak 10883 from cnoeabs.peaks (4.11, 2.75, 40.19 ppm; 6.04 A increased from 5.37 A): 2 out of 9 assignments used, quality = 0.95: HA ILE 32 + HB3 ASP 35 OK 89 100 100 89 5.2-6.6 893/10846=81...(6) HA CYS 79 + HB3 ASP 78 OK 53 56 100 95 5.8-5.8 ~7061=78, 9687/7056=75 HA CYS 79 - HB3 ASP 35 far 0 100 0 - 7.5-11.0 HA LEU 49 - HB2 ASP 64 far 0 65 0 - 8.0-10.1 HA GLN 104 - HB2 ASP 64 far 0 47 0 - 8.4-10.0 HA ILE 80 - HB3 ASP 78 far 0 45 0 - 8.5-8.6 HA CYS 45 - HB2 ASP 64 far 0 57 0 - 9.5-11.4 HA LEU 48 - HB2 ASP 64 far 0 66 0 - 9.9-12.1 HA ALA 52 - HB2 ASP 64 far 0 42 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 10885 from cnoeabs.peaks (1.41, 4.52, 54.77 ppm; 4.37 A): 1 out of 4 assignments used, quality = 0.97: QB ALA 34 + HA ASP 35 OK 97 99 100 98 3.7-3.8 6381/3.0=88...(7) HG2 LYS 26 - HA ASP 35 far 0 83 0 - 5.2-12.6 HG13 ILE 32 - HA ASP 35 far 0 68 0 - 8.0-8.9 QB ALA 28 - HA ASP 35 far 0 60 0 - 9.8-11.5 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 5 assignments used, quality = 0.99: QB ALA 34 + HB2 ASP 35 OK 99 99 100 100 3.9-5.0 6381/6383=98...(4) HG2 LYS 26 - HB2 ASP 35 far 12 83 15 - 4.1-11.3 HG13 ILE 32 - HB2 ASP 35 far 7 68 10 - 5.6-7.0 QB ALA 28 - HB2 ASP 35 far 0 60 0 - 7.8-9.8 HG3 LYS 31 - HB2 ASP 35 far 0 78 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 10888 from cnoeabs.peaks (1.42, 2.75, 40.19 ppm; 6.64 A): 4 out of 9 assignments used, quality = 1.00: QB ALA 34 + HB3 ASP 35 OK 100 100 100 100 3.7-4.4 6381/4.0=100...(4) HG13 ILE 32 + HB3 ASP 35 OK 74 76 100 98 5.3-6.4 2.1/10846=93...(5) HG2 LYS 86 + HB3 ASP 78 OK 50 55 100 91 5.6-6.5 9650/9654=49...(4) HG2 LYS 26 + HB3 ASP 35 OK 47 89 75 71 3.7-10.3 ~10800=64, 932/10846=11 HG3 LYS 19 - HB3 ASP 78 far 3 28 10 - 4.8-30.3 QB ALA 34 - HB3 ASP 78 lone 2 56 100 3 4.4-6.8 HG2 LYS 26 - HB3 ASP 78 far 0 44 0 - 7.9-15.1 QB ALA 16 - HB3 ASP 78 far 0 51 0 - 8.9-29.6 HG3 LYS 31 - HB3 ASP 35 far 0 71 0 - 9.7-12.4 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 20 assignments used, quality = 0.87: QG2 ILE 32 + HB2 LYS 36 OK 79 95 90 93 3.6-6.0 10810/1.8=48...(8) QG2 ILE 32 + HB3 LYS 26 OK 40 88 50 90 3.7-6.6 10766/4.8=28...(20) QD1 LEU 22 - HB3 LYS 24 poor 18 59 30 - 3.6-7.8 QD2 LEU 22 - HB3 LYS 24 poor 16 62 25 - 3.6-8.3 QG2 VAL 20 - HB3 LYS 19 far 3 68 5 - 4.6-5.4 QG2 VAL 20 - HB3 LYS 31 far 0 69 0 - 5.1-20.6 QG2 VAL 20 - HB3 LYS 24 far 0 67 0 - 5.4-9.8 QD1 LEU 22 - HB3 LYS 26 far 0 59 0 - 5.5-12.0 QD2 LEU 22 - HB3 LYS 31 far 0 64 0 - 5.8-20.2 QD1 LEU 22 - HB3 LYS 31 far 0 61 0 - 5.8-18.8 QD2 LEU 22 - HB3 LYS 19 far 0 63 0 - 6.0-9.3 QD1 LEU 22 - HB3 LYS 19 far 0 61 0 - 6.1-9.4 QG2 VAL 20 - HB3 LYS 26 far 0 67 0 - 6.7-13.3 QG2 ILE 32 - HB3 LYS 31 far 0 90 0 - 6.8-7.1 QD2 LEU 22 - HB3 LYS 26 far 0 62 0 - 6.9-13.5 QG2 ILE 32 - HB3 LYS 24 far 0 89 0 - 7.2-12.3 QG2 VAL 20 - HB2 LYS 36 far 0 73 0 - 8.0-19.7 QD2 LEU 70 - HB3 LYS 24 far 0 91 0 - 8.3-24.7 QD2 LEU 98 - HB3 LYS 24 far 0 93 0 - 9.3-30.4 QG2 ILE 32 - HB3 LYS 19 far 0 90 0 - 9.5-19.8 Violated in 1 structures by 0.05 A. Peak 10899 from cnoeabs.peaks (0.84, 1.88, 32.86 ppm; 5.02 A increased from 4.47 A): 1 out of 1 assignment used, quality = 0.90: QG2 ILE 32 + HB3 LYS 36 OK 90 97 100 93 4.6-5.1 10777/10853=63...(5) Violated in 1 structures by 0.00 A. Peak 10900 from cnoeabs.peaks (0.88, 1.38, 24.92 ppm; 4.62 A): 4 out of 19 assignments used, quality = 0.83: QD1 LEU 22 + HG2 LYS 24 OK 52 65 95 84 1.9-7.1 10756/1.8=31...(12) QG2 VAL 20 + HG2 LYS 19 OK 40 42 95 100 4.2-5.2 2.1/10714=97...(14) QG1 VAL 20 + HG2 LYS 19 OK 24 24 100 100 1.9-2.7 10712/1.8=72...(17) QG2 ILE 32 + HG3 LYS 26 OK 23 35 65 100 3.3-6.2 10721/3.6=45...(66) QG2 VAL 20 - HG2 LYS 24 far 7 69 10 - 4.8-8.4 QG2 VAL 20 - HG3 LYS 31 far 4 73 5 - 3.4-19.6 QG1 VAL 20 - HG3 LYS 31 far 2 44 5 - 4.2-19.1 QD1 LEU 22 - HG3 LYS 31 far 0 69 0 - 5.6-19.7 QD1 LEU 22 - HG3 LYS 26 far 0 50 0 - 5.6-11.1 QG2 ILE 32 - HG2 LYS 36 far 0 71 0 - 5.9-6.6 QG2 ILE 32 - HG3 LYS 31 far 0 50 0 - 6.1-7.8 QG2 VAL 20 - HG3 LYS 26 far 0 53 0 - 6.3-12.7 QG1 VAL 20 - HG2 LYS 24 far 0 41 0 - 6.6-9.6 QD1 LEU 22 - HG2 LYS 19 far 0 39 0 - 7.1-9.6 QG1 VAL 20 - HG3 LYS 26 far 0 31 0 - 7.7-13.3 QG2 ILE 32 - HG2 LYS 24 far 0 47 0 - 9.0-13.5 QG2 VAL 20 - HG2 LYS 36 far 0 96 0 - 9.0-21.9 QD2 LEU 98 - HG2 LYS 24 far 0 76 0 - 9.9-29.2 QG2 ILE 32 - HG2 LYS 19 far 0 27 0 - 9.9-20.3 Violated in 0 structures by 0.00 A. Peak 10901 from cnoeabs.peaks (0.88, 1.47, 24.92 ppm; 4.96 A): 0 out of 4 assignments used, quality = 0.00: QG2 ILE 32 - HG3 LYS 36 far 0 78 0 - 6.1-7.2 QG2 VAL 20 - HG3 LYS 86 far 0 83 0 - 6.4-26.0 QG2 VAL 20 - HG3 LYS 36 far 0 92 0 - 8.8-21.9 QD1 LEU 22 - HG3 LYS 86 far 0 77 0 - 9.8-22.4 Violated in 20 structures by 1.39 A. Peak 10905 from cnoeabs.peaks (1.17, 4.02, 61.28 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 41 + HA ILE 37 OK 100 100 100 100 2.8-3.0 10819/1089=90...(11) HG3 LYS 39 - HA ILE 37 far 0 97 0 - 9.3-9.9 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 4 assignments used, quality = 0.87: QB ALA 41 + HB ILE 37 OK 87 87 100 100 4.5-5.0 10910/2.1=100...(12) HG2 LYS 39 - HB ILE 37 far 0 87 0 - 7.7-10.1 HG3 LYS 39 - HB ILE 37 far 0 100 0 - 8.2-9.8 QG2 VAL 77 - HB ILE 37 far 0 60 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 10908 from cnoeabs.peaks (1.41, 1.97, 38.06 ppm; 4.94 A increased from 4.65 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 34 + HB ILE 37 OK 99 99 100 100 4.4-4.8 2.1/10789=96, 10877=95...(21) QB ALA 15 - HB ILE 37 far 0 63 0 - 9.1-29.7 Violated in 0 structures by 0.00 A. Peak 10909 from cnoeabs.peaks (0.64, 0.94, 17.33 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + QG2 ILE 37 OK 100 100 100 100 2.6-3.1 1324/10826=54...(18) QD1 ILE 129 - QG2 ILE 37 far 0 100 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 10910 from cnoeabs.peaks (1.15, 0.94, 17.33 ppm; 3.40 A): 1 out of 6 assignments used, quality = 0.82: QB ALA 41 + QG2 ILE 37 OK 82 83 100 99 2.0-3.2 9069=74, 9070/1094=34...(19) HG2 LYS 39 - QG2 ILE 37 far 0 90 0 - 6.5-8.0 HG3 LYS 39 - QG2 ILE 37 far 0 99 0 - 6.6-7.4 QG1 VAL 132 - QG2 ILE 37 far 0 83 0 - 9.2-9.8 QG2 VAL 132 - QG2 ILE 37 far 0 96 0 - 9.4-9.9 HG12 ILE 32 - QG2 ILE 37 far 0 96 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 10911 from cnoeabs.peaks (1.40, 0.94, 17.33 ppm; 4.07 A increased from 3.84 A): 2 out of 6 assignments used, quality = 0.98: HG2 LYS 36 + QG2 ILE 37 OK 85 92 95 98 4.1-4.7 3.0/10912=52...(16) HB2 LEU 42 + QG2 ILE 37 OK 85 89 100 95 3.4-4.0 3.2/10821=59...(7) QB ALA 34 - QG2 ILE 37 far 0 76 0 - 5.1-5.2 QB ALA 15 - QG2 ILE 37 far 0 95 0 - 7.5-25.6 QB ALA 29 - QG2 ILE 37 far 0 92 0 - 9.0-11.0 HG2 LYS 86 - QG2 ILE 37 far 0 71 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 10912 from cnoeabs.peaks (1.68, 0.94, 17.33 ppm; 4.54 A increased from 4.27 A): 1 out of 6 assignments used, quality = 0.96: HD3 LYS 36 + QG2 ILE 37 OK 96 99 100 97 4.4-4.6 10918/1094=40...(15) HD2 LYS 36 - QG2 ILE 37 far 0 99 0 - 5.5-5.8 HD2 LYS 39 - QG2 ILE 37 far 0 100 0 - 7.5-9.2 HB2 LEU 69 - QG2 ILE 37 far 0 99 0 - 7.7-8.3 HD2 LYS 86 - QG2 ILE 37 far 0 87 0 - 9.6-10.7 HD2 LYS 26 - QG2 ILE 37 far 0 89 0 - 9.6-12.0 Violated in 3 structures by 0.01 A. Peak 10913 from cnoeabs.peaks (1.79, 0.94, 17.33 ppm; 4.35 A): 0 out of 3 assignments used, quality = 0.00: HB2 LYS 36 - QG2 ILE 37 far 0 63 0 - 5.8-6.5 HB2 LYS 39 - QG2 ILE 37 far 0 63 0 - 6.2-7.0 HB ILE 32 - QG2 ILE 37 far 0 60 0 - 9.4-10.0 Violated in 20 structures by 1.08 A. Peak 10914 from cnoeabs.peaks (1.16, 1.28, 27.60 ppm; 5.70 A increased from 4.56 A): 1 out of 4 assignments used, quality = 0.98: QB ALA 41 + HG12 ILE 37 OK 98 98 100 100 4.5-5.7 10819/1092=97...(9) QG2 THR 25 - HG12 ILE 37 far 0 68 0 - 8.1-14.5 HG12 ILE 32 - HG12 ILE 37 far 0 100 0 - 8.3-9.8 QG2 VAL 77 - HG12 ILE 37 far 0 83 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 10915 from cnoeabs.peaks (1.42, 1.28, 27.60 ppm; 4.22 A): 1 out of 3 assignments used, quality = 0.95: QB ALA 34 + HG12 ILE 37 OK 95 100 95 100 3.6-4.8 2.1/10871=69, ~10873=54...(21) HG2 LYS 26 - HG12 ILE 37 far 0 90 0 - 8.5-12.5 HG13 ILE 32 - HG12 ILE 37 far 0 78 0 - 9.5-10.2 Violated in 1 structures by 0.03 A. Peak 10916 from cnoeabs.peaks (1.84, 1.28, 27.60 ppm; 5.00 A): 1 out of 3 assignments used, quality = 0.74: HB2 LYS 36 + HG12 ILE 37 OK 74 76 100 98 3.9-5.4 4.6/6415=70...(11) HB2 CYS 79 - HG12 ILE 37 far 0 100 0 - 6.1-7.8 HB ILE 32 - HG12 ILE 37 far 0 78 0 - 7.6-8.3 Violated in 2 structures by 0.02 A. Peak 10917 from cnoeabs.peaks (1.16, 1.56, 27.60 ppm; 4.11 A): 0 out of 4 assignments used, quality = 0.00: QB ALA 41 - HG13 ILE 37 far 5 92 5 - 3.7-6.1 QG2 VAL 77 - HG13 ILE 37 far 0 68 0 - 8.5-10.2 HG12 ILE 32 - HG13 ILE 37 far 0 99 0 - 9.1-11.3 HG2 LYS 39 - HG13 ILE 37 far 0 81 0 - 10.0-12.0 Violated in 19 structures by 1.32 A. Peak 10918 from cnoeabs.peaks (1.67, 0.78, 12.10 ppm; 3.65 A): 2 out of 9 assignments used, quality = 0.99: HD3 LYS 36 + QD1 ILE 37 OK 92 100 100 92 1.9-3.9 10818/1094=40...(18) HD2 LYS 36 + QD1 ILE 37 OK 87 100 95 92 2.6-4.4 ~10912=27, ~10818=26...(18) HD2 LYS 26 - QD1 ILE 37 far 0 99 0 - 7.6-10.5 HD3 LYS 31 - QD1 ILE 37 far 0 99 0 - 8.1-10.8 HD3 LYS 26 - QD1 ILE 37 far 0 99 0 - 8.4-11.3 HB2 LEU 69 - QD1 ILE 37 far 0 100 0 - 8.5-9.3 HD2 LYS 31 - QD1 ILE 37 far 0 100 0 - 8.5-11.3 HG LEU 43 - QD1 ILE 37 far 0 76 0 - 9.1-9.8 HD2 LYS 86 - QD1 ILE 37 far 0 99 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 10919 from cnoeabs.peaks (4.31, 0.94, 17.33 ppm; 4.76 A): 1 out of 5 assignments used, quality = 1.00: HA TYR 76 + QG2 ILE 37 OK 100 100 100 100 3.1-3.7 11155=100, 3.0/10667=79...(21) HA2 GLY 75 - QG2 ILE 37 far 5 100 5 - 5.4-6.0 HA LEU 69 - QG2 ILE 37 far 0 90 0 - 5.9-6.4 HA SER 74 - QG2 ILE 37 far 0 73 0 - 7.1-7.9 HA PRO 81 - QG2 ILE 37 far 0 78 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 10920 from cnoeabs.peaks (4.30, 1.97, 38.06 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: HA TYR 76 + HB ILE 37 OK 92 92 100 100 2.9-3.8 ~10667=88, 11155/2.1=88...(16) HA2 GLY 75 + HB ILE 37 OK 80 81 100 100 5.9-6.6 ~9608=82, 9604/3.2=66...(8) HA LYS 36 + HB ILE 37 OK 78 78 100 100 5.8-6.1 3.6/6413=100...(15) HA SER 74 - HB ILE 37 far 0 99 0 - 8.9-9.6 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 2 assignments used, quality = 0.97: H GLU 40 + HB3 SER 38 OK 97 99 100 98 2.6-4.9 6448/1134=65...(7) H LEU 43 - HB3 SER 38 far 0 93 0 - 6.3-8.0 Violated in 0 structures by 0.00 A. Peak 10923 from cnoeabs.peaks (1.14, 4.54, 58.15 ppm; 4.38 A): 0 out of 2 assignments used, quality = 0.00: HG2 LYS 39 - HA SER 38 far 5 100 5 - 4.5-6.9 HG3 LYS 39 - HA SER 38 far 0 87 0 - 5.5-6.7 Violated in 19 structures by 1.32 A. Peak 10924 from cnoeabs.peaks (0.95, 4.54, 58.15 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.89: QG2 ILE 37 + HA SER 38 OK 89 89 100 100 3.4-3.9 6423/3.0=70...(21) Violated in 0 structures by 0.00 A. Peak 10929 from cnoeabs.peaks (0.73, 2.39, 35.29 ppm; 5.22 A): 0 out of 1 assignment used, quality = 0.00: QD2 LEU 43 - HG3 GLU 40 far 0 68 0 - 6.1-7.3 Violated in 20 structures by 1.39 A. Peak 10930 from cnoeabs.peaks (1.17, 2.39, 35.29 ppm; 6.33 A increased from 5.06 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 41 + HG3 GLU 40 OK 100 100 100 100 5.0-6.2 10857/3.0=99...(20) HG3 LYS 39 + HG3 GLU 40 OK 63 95 85 79 5.0-8.6 9056/1269=42...(5) Violated in 0 structures by 0.00 A. Peak 10931 from cnoeabs.peaks (1.90, 1.17, 17.90 ppm; 5.44 A increased from 4.83 A): 1 out of 3 assignments used, quality = 1.00: HB2 GLU 40 + QB ALA 41 OK 100 100 100 100 4.9-5.3 1.8/10857=100...(20) HB3 LYS 36 - QB ALA 41 far 0 83 0 - 6.1-6.9 HB3 LEU 48 - QB ALA 41 far 0 97 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 10932 from cnoeabs.peaks (2.02, 1.17, 17.90 ppm; 4.29 A): 1 out of 4 assignments used, quality = 0.83: HB3 GLU 40 + QB ALA 41 OK 83 83 100 100 3.8-3.9 6471/3.0=57, 1280/2.1=56...(19) HB2 GLU 44 - QB ALA 41 far 0 99 0 - 5.9-6.3 HG2 PRO 81 - QB ALA 41 far 0 89 0 - 9.2-12.1 HB ILE 129 - QB ALA 41 far 0 95 0 - 9.6-11.0 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 3 assignments used, quality = 1.00: HB2 SER 38 + QB ALA 41 OK 97 97 100 99 2.1-2.7 9043=71, 1.8/9042=63...(10) HA ILE 37 + QB ALA 41 OK 90 90 100 100 2.8-3.0 3.2/10819=68, 10815=52...(11) HA GLN 68 - QB ALA 41 far 0 97 0 - 8.0-8.9 Violated in 0 structures by 0.00 A. Peak 10935 from cnoeabs.peaks (4.02, 3.91, 54.68 ppm; 4.90 A increased from 4.61 A): 1 out of 3 assignments used, quality = 0.98: HB2 SER 38 + HA ALA 41 OK 98 98 100 100 4.6-5.0 9043/2.1=83...(9) HA ILE 37 - HA ALA 41 far 0 100 0 - 5.7-6.0 HA GLU 44 - HA ALA 41 far 0 71 0 - 6.1-6.3 Violated in 1 structures by 0.00 A. Peak 10936 from cnoeabs.peaks (4.52, 1.17, 17.90 ppm; 4.81 A): 1 out of 3 assignments used, quality = 0.90: HA SER 38 + QB ALA 41 OK 90 90 100 100 4.0-4.2 10845=85, 3.0/9040=73...(13) HA TYR 72 - QB ALA 41 far 3 65 5 - 5.4-5.9 HA ASP 35 - QB ALA 41 far 0 100 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 10937 from cnoeabs.peaks (8.29, 3.91, 54.68 ppm; 5.34 A increased from 5.03 A): 2 out of 3 assignments used, quality = 1.00: H LEU 43 + HA ALA 41 OK 98 99 100 99 4.9-5.2 3.9/6515=73, 6496/2.9=63...(10) H GLU 40 + HA ALA 41 OK 93 93 100 99 5.2-5.4 6463/2.9=83, 4.0/1280=58...(9) H TYR 72 - HA ALA 41 far 0 65 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 10938 from cnoeabs.peaks (1.15, 0.63, 27.44 ppm; 5.19 A increased from 4.88 A): 2 out of 6 assignments used, quality = 0.96: QB ALA 41 + QD1 LEU 42 OK 90 90 100 100 4.8-5.0 10910/10821=82...(10) QG2 VAL 77 + QD1 LEU 42 OK 57 65 100 87 5.2-5.8 9676/11800=38...(10) HG3 LYS 39 - QD1 LEU 42 far 0 100 0 - 6.1-6.8 QG2 VAL 132 - QD1 LEU 42 far 0 90 0 - 6.4-7.1 HG2 LYS 39 - QD1 LEU 42 far 0 83 0 - 6.5-7.6 QG1 VAL 132 - QD1 LEU 42 far 0 73 0 - 6.7-7.4 Violated in 0 structures by 0.00 A. Peak 10939 from cnoeabs.peaks (1.14, 0.56, 24.08 ppm; 4.58 A increased from 4.31 A): 2 out of 4 assignments used, quality = 0.89: HG3 LYS 39 + QD2 LEU 42 OK 85 89 100 96 4.0-4.5 4.0/10870=59...(9) HG2 LYS 39 + QD2 LEU 42 OK 27 100 30 91 4.7-5.6 4.0/10870=59...(10) QG2 VAL 132 - QD2 LEU 42 far 0 100 0 - 5.3-6.0 QG1 VAL 132 - QD2 LEU 42 far 0 98 0 - 6.0-6.5 Violated in 0 structures by 0.00 A. Peak 10941 from cnoeabs.peaks (2.10, 3.78, 57.62 ppm; 5.95 A increased from 5.29 A): 1 out of 4 assignments used, quality = 0.84: HB3 GLU 44 + HA LEU 43 OK 84 85 100 99 5.6-6.1 6527/3.6=83, ~9140=59...(9) HG3 GLN 134 - HA LEU 43 poor 18 92 20 - 6.1-7.5 HB3 LYS 39 - HA LEU 43 far 0 87 0 - 7.0-7.8 HB VAL 126 - HA LEU 43 far 0 99 0 - 8.8-9.5 Violated in 3 structures by 0.02 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 2.7-3.1 1338/2.8=81, 9085/3.7=71...(16) Violated in 0 structures by 0.00 A. Peak 10944 from cnoeabs.peaks (1.02, 3.78, 57.62 ppm; 5.04 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 69 + HA LEU 43 OK 91 95 100 96 4.3-4.6 11063/1348=70...(5) QG2 VAL 133 + HA LEU 43 OK 85 85 100 100 4.4-5.2 11072/1345=75...(12) 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; 6.19 A increased from 5.21 A): 1 out of 3 assignments used, quality = 0.99: H ALA 46 + HG3 GLU 44 OK 99 99 100 100 5.7-6.1 3.2/1430=92...(8) H HIS 5 - HG3 GLU 102 far 0 73 0 - 9.5-54.6 H HIS 4 - HG3 GLU 102 far 0 62 0 - 9.7-57.7 Violated in 0 structures by 0.00 A. Peak 10947 from cnoeabs.peaks (1.70, 2.34, 34.64 ppm; 5.47 A increased from 4.61 A): 1 out of 4 assignments used, quality = 0.58: HB2 LEU 43 + HG2 GLU 44 OK 58 60 100 97 4.6-5.3 4.6/6528=74, 9140/1.8=53...(6) HG LEU 48 - HG2 GLU 44 far 9 92 10 - 5.9-8.2 HD2 LYS 39 - HG2 GLU 44 far 0 81 0 - 7.2-10.3 HD3 LYS 39 - HG2 GLU 44 far 0 92 0 - 8.2-11.4 Violated in 0 structures by 0.00 A. Peak 10948 from cnoeabs.peaks (1.38, 2.34, 34.64 ppm; 4.76 A): 0 out of 1 assignment used, quality = 0.00: HB2 LEU 42 - HG2 GLU 44 far 0 100 0 - 5.4-7.4 Violated in 20 structures by 2.24 A. Peak 10949 from cnoeabs.peaks (1.16, 2.34, 34.64 ppm; 4.96 A increased from 4.67 A): 1 out of 3 assignments used, quality = 0.98: QB ALA 41 + HG2 GLU 44 OK 98 98 100 100 4.4-4.8 ~9064=60, ~1409=57...(18) HG2 LYS 39 - HG2 GLU 44 far 0 65 0 - 7.0-10.1 HG3 LYS 39 - HG2 GLU 44 far 0 100 0 - 7.9-9.7 Violated in 0 structures by 0.00 A. Peak 10951 from cnoeabs.peaks (0.79, 3.90, 55.49 ppm; 5.03 A increased from 4.73 A): 3 out of 7 assignments used, quality = 0.99: QD2 LEU 49 + HA ALA 46 OK 99 100 100 99 4.4-5.1 2.1/9209=59, 5.0/1455=48...(13) QG2 ILE 129 + HA ALA 46 OK 28 65 50 84 5.5-6.2 11245/2.1=49, ~11636=46...(5) QD1 LEU 96 + HA ALA 46 OK 26 76 55 62 5.3-5.8 11061/11054=34...(5) QD1 LEU 53 - HA ALA 46 far 0 100 0 - 6.0-7.6 QD1 LEU 122 - HA ALA 46 far 0 96 0 - 6.4-8.4 QD2 LEU 122 - HA ALA 46 far 0 99 0 - 7.9-9.4 QD1 LEU 70 - HA ALA 46 far 0 73 0 - 9.3-9.7 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 4 assignments used, quality = 1.00: HG LEU 69 + HA ALA 46 OK 98 98 100 100 2.6-2.8 2.1/11054=99...(23) HB2 LEU 49 + HA ALA 46 OK 98 99 100 99 3.5-4.4 6604/1455=65...(12) HG LEU 42 + HA ALA 46 OK 85 85 100 100 5.0-5.4 ~9177=79, ~9177=76...(10) QB ALA 52 - HA ALA 46 far 0 68 0 - 8.0-8.2 Violated in 0 structures by 0.00 A. Peak 10953 from cnoeabs.peaks (0.85, 1.34, 16.76 ppm; 3.37 A): 2 out of 5 assignments used, quality = 0.89: QD2 LEU 69 + QB ALA 46 OK 80 81 100 100 2.9-3.1 2.1/11046=61, 11045=61...(21) QG2 ILE 129 + QB ALA 46 OK 45 65 90 76 3.7-4.3 3.0/11636=28, 11245=28...(10) QG1 VAL 133 - QB ALA 46 far 0 96 0 - 4.9-5.6 QD2 LEU 70 - QB ALA 46 far 0 99 0 - 6.4-6.9 HG13 ILE 80 - QB ALA 46 far 0 71 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 10954 from cnoeabs.peaks (1.33, 2.84, 39.77 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.99: QB ALA 46 + HB3 ASP 47 OK 99 99 100 100 4.2-5.0 6568/6571=82...(9) Violated in 3 structures by 0.01 A. Peak 10955 from cnoeabs.peaks (1.34, 2.72, 39.77 ppm; 5.72 A increased from 5.38 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 46 + HB2 ASP 47 OK 100 100 100 100 4.1-5.4 6568/6570=93...(9) Violated in 0 structures by 0.00 A. Peak 10956 from cnoeabs.peaks (0.92, 2.72, 39.77 ppm; 5.63 A increased from 5.00 A): 2 out of 4 assignments used, quality = 0.90: QD2 LEU 48 + HB2 ASP 47 OK 83 99 100 84 5.2-5.4 5.0/6581=69, ~10904=32 QD1 LEU 48 + HB2 ASP 47 OK 44 99 50 89 5.1-6.8 4.8/6581=72...(4) QD1 LEU 49 - HB2 ASP 47 poor 11 100 25 46 5.8-6.8 6587/6581=26...(3) QD1 LEU 123 - HB2 ASP 47 far 0 97 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 10957 from cnoeabs.peaks (1.22, 0.91, 23.93 ppm; 3.04 A): 2 out of 6 assignments used, quality = 0.67: QG2 THR 65 + QD2 LEU 48 OK 46 100 50 93 3.0-4.0 9441/2.1=38...(19) QG2 THR 65 + QD1 LEU 48 OK 38 41 100 93 1.9-2.6 9441/2.1=38, 9430=37...(19) QG2 THR 54 - QD1 LEU 123 poor 17 33 50 - 3.1-4.3 QG2 THR 65 - QD1 LEU 123 far 0 42 0 - 6.5-7.1 QG2 THR 54 - QD2 LEU 48 far 0 89 0 - 6.6-7.8 QG2 THR 54 - QD1 LEU 48 far 0 32 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 10958 from cnoeabs.peaks (4.03, 1.89, 41.65 ppm; 4.40 A): 0 out of 1 assignment used, quality = 0.00: HA GLU 44 - HB3 LEU 48 far 0 87 0 - 6.1-6.8 Violated in 20 structures by 2.02 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 3.2-3.9 9431/3.2=96...(23) QG2 THR 54 - HB2 LEU 49 far 0 99 0 - 7.0-7.4 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 2 assignments used, quality = 0.85: QG2 THR 65 + HB3 LEU 49 OK 85 85 100 100 3.8-4.0 10966/3.2=80...(23) QG2 THR 65 - HB3 LEU 123 far 0 35 0 - 7.0-8.2 Violated in 0 structures by 0.00 A. Peak 10961 from cnoeabs.peaks (0.91, 3.94, 62.66 ppm; 4.26 A): 1 out of 6 assignments used, quality = 0.83: QD2 LEU 48 + HB2 SER 51 OK 83 100 100 83 3.5-4.2 9227/1620=55...(5) QD1 LEU 48 - HB2 SER 51 far 0 90 0 - 5.6-6.3 QD1 LEU 49 - HB2 SER 51 far 0 100 0 - 6.2-6.7 QD1 LEU 123 - HB2 SER 51 far 0 83 0 - 6.6-7.3 QD2 LEU 123 - HB2 SER 51 far 0 76 0 - 6.9-7.7 QD1 LEU 62 - HB2 SER 51 far 0 99 0 - 7.8-8.3 Violated in 0 structures by 0.00 A. Peak 10962 from cnoeabs.peaks (0.77, 3.94, 62.66 ppm; 6.41 A increased from 5.13 A): 1 out of 3 assignments used, quality = 0.56: QD1 LEU 53 + HB2 SER 51 OK 56 68 100 83 5.5-6.4 4.3/9219=78, 11728/1620=18 QD2 LEU 49 - HB2 SER 51 far 0 60 0 - 7.4-7.8 QD2 LEU 43 - HB2 SER 51 far 0 95 0 - 9.9-11.6 Violated in 1 structures by 0.00 A. Peak 10964 from cnoeabs.peaks (0.86, 1.48, 18.03 ppm; 3.79 A): 1 out of 4 assignments used, quality = 1.00: QG2 VAL 57 + QB ALA 52 OK 100 100 100 100 1.8-2.6 9317=100, 2.1/9312=82...(19) QD2 LEU 123 - QB ALA 52 far 0 78 0 - 5.5-6.3 QD2 LEU 69 - QB ALA 52 far 0 99 0 - 6.4-6.7 QD2 LEU 70 - QB ALA 52 far 0 99 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 10965 from cnoeabs.peaks (0.87, 4.13, 54.53 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 57 + HA ALA 52 OK 100 100 100 100 2.7-3.3 9317/2.1=97, 9304=96...(16) QD2 LEU 123 - HA ALA 52 far 0 87 0 - 6.5-7.3 QD2 LEU 69 - HA ALA 52 far 0 100 0 - 9.3-9.7 Violated in 0 structures by 0.00 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 4.9-5.4 ~9284=75, ~9291=73...(27) HG2 GLU 55 + HD2 PRO 56 OK 68 68 100 100 3.7-4.6 1.8/9284=95, 9283=65...(25) HG3 GLN 61 - HD2 PRO 56 far 0 51 0 - 9.3-10.9 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 3.4-4.1 9319/2.1=100...(9) QD2 LEU 100 - HB VAL 57 far 0 98 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 10971 from cnoeabs.peaks (0.69, 0.95, 21.50 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.87: QD2 LEU 62 + QG1 VAL 57 OK 87 87 100 100 3.6-4.3 9319/2.1=99...(11) QD2 LEU 100 - QG1 VAL 57 far 0 92 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 10973 from cnoeabs.peaks (0.95, 2.41, 32.16 ppm; 5.70 A increased from 5.06 A): 1 out of 5 assignments used, quality = 1.00: QG1 VAL 57 + HB3 PRO 58 OK 100 100 100 100 5.4-5.7 9309/3.0=99, 9308/3.0=99...(22) QG2 VAL 112 - HB3 PRO 58 poor 12 73 40 39 5.4-6.8 10926/2.3=18...(3) QG1 VAL 112 - HB3 PRO 58 far 0 83 0 - 7.4-8.7 QD1 LEU 119 - HB3 PRO 58 far 0 99 0 - 8.1-9.2 QD2 LEU 53 - HB3 PRO 58 far 0 85 0 - 9.1-10.4 Violated in 2 structures by 0.00 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 4.0-4.5 10978=99, 10975/2.3=98...(14) H PHE 89 + HG2 ARG 90 OK 52 52 100 100 4.4-5.5 4.1/7219=95...(5) 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 6 assignments used, quality = 1.00: HB VAL 63 + HB2 SER 60 OK 94 95 100 99 4.2-5.6 1902/3.0=86, ~10978=60...(7) HB VAL 63 + HB3 SER 60 OK 94 95 100 99 4.3-5.4 1902/3.0=86, ~10978=60...(7) HG2 PRO 58 + HB2 SER 60 OK 83 99 100 84 3.7-5.6 10978/4.0=74, ~2638=14...(6) HG2 PRO 58 + HB3 SER 60 OK 83 99 100 84 3.8-5.7 10978/4.0=74, ~2638=14...(6) HB2 LEU 62 - HB2 SER 60 far 0 78 0 - 6.7-8.6 HB2 LEU 62 - HB3 SER 60 far 0 78 0 - 6.8-8.6 Violated in 0 structures by 0.00 A. Peak 10977 from cnoeabs.peaks (0.92, 3.91, 61.50 ppm; 6.07 A): 2 out of 10 assignments used, quality = 1.00: QG2 VAL 63 + HB3 SER 60 OK 99 99 100 100 3.6-4.9 ~2020=77, ~1902=76...(14) QG2 VAL 63 + HB2 SER 60 OK 99 99 100 100 3.9-5.1 ~2020=77, ~1902=76...(14) QG2 VAL 112 - HB2 SER 60 far 0 99 0 - 7.2-10.0 QD1 LEU 62 - HB2 SER 60 far 0 100 0 - 7.2-8.4 QD1 LEU 62 - HB3 SER 60 far 0 100 0 - 7.3-8.4 QG2 VAL 112 - HB3 SER 60 far 0 99 0 - 7.7-10.0 QG1 VAL 118 - HB2 SER 60 far 0 87 0 - 8.6-10.5 QD1 LEU 119 - HB2 SER 60 far 0 73 0 - 8.7-10.7 QG1 VAL 118 - HB3 SER 60 far 0 87 0 - 8.8-10.4 QD1 LEU 119 - HB3 SER 60 far 0 73 0 - 8.9-10.5 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 2.8-4.7 10935/1.8=96...(9) HD2 PRO 56 - HG2 GLN 61 far 0 57 0 - 8.5-10.6 HA3 GLY 66 - HG2 GLN 61 far 0 99 0 - 8.7-10.7 HA2 GLY 66 - HG2 GLN 61 far 0 100 0 - 8.9-11.0 HD3 PRO 56 - HG2 GLN 61 far 0 78 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 10985 from cnoeabs.peaks (3.98, 4.28, 57.87 ppm; 5.06 A): 0 out of 2 assignments used, quality = 0.00: HA THR 65 - HA GLN 61 far 0 99 0 - 6.6-7.2 HB3 SER 107 - HA GLN 61 far 0 87 0 - 7.9-10.7 Violated in 20 structures by 1.66 A. Peak 10986 from cnoeabs.peaks (0.87, 2.41, 33.67 ppm; 4.11 A): 3 out of 8 assignments used, quality = 1.00: QG2 VAL 57 + HG3 GLN 61 OK 100 100 100 100 3.0-4.6 2.1/10937=77...(24) QD1 LEU 98 + HG2 GLN 101 OK 59 86 70 99 3.6-4.9 10059/3.5=58...(14) QG2 VAL 57 + HG3 GLU 55 OK 57 66 90 96 2.7-5.7 9314/3.0=65...(8) QD2 LEU 98 - HG2 GLN 101 far 4 83 5 - 3.7-7.1 QD2 LEU 70 - HG2 GLN 101 far 0 81 0 - 5.7-9.5 QD2 LEU 123 - HG3 GLU 55 far 0 54 0 - 6.7-8.7 QD2 LEU 69 - HG3 GLN 61 far 0 100 0 - 8.6-9.4 QD2 LEU 123 - HG3 GLN 61 far 0 89 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 10987 from cnoeabs.peaks (0.94, 2.41, 33.67 ppm; 4.23 A): 2 out of 16 assignments used, quality = 1.00: QG1 VAL 57 + HG3 GLN 61 OK 100 100 100 100 3.0-4.4 9377/1.8=86...(27) QG1 VAL 105 + HG2 GLN 101 OK 63 77 85 97 4.1-5.8 ~10054=43, ~10054=42...(13) QG1 VAL 57 - HG3 GLU 55 far 7 67 10 - 2.8-5.8 QD2 LEU 53 - HG3 GLN 61 far 0 81 0 - 5.6-7.4 QD1 LEU 48 - HG3 GLN 61 far 0 78 0 - 6.1-7.3 QD2 LEU 53 - HG3 GLU 55 far 0 47 0 - 6.1-8.7 QD1 LEU 123 - HG3 GLU 55 far 0 52 0 - 7.9-10.1 QD1 LEU 119 - HG3 GLN 61 far 0 100 0 - 8.6-10.2 QG2 VAL 126 - HG3 GLN 61 far 0 87 0 - 8.9-9.8 QG1 VAL 126 - HG3 GLN 61 far 0 97 0 - 9.0-9.8 QD1 LEU 48 - HG3 GLU 55 far 0 46 0 - 9.0-11.4 QG2 VAL 126 - HG2 GLN 101 far 0 70 0 - 9.4-11.9 QD1 LEU 123 - HG3 GLN 61 far 0 87 0 - 9.5-11.1 QD1 LEU 119 - HG3 GLU 55 far 0 67 0 - 9.6-11.4 QG2 VAL 112 - HG3 GLN 61 far 0 78 0 - 9.7-11.2 QG1 VAL 126 - HG3 GLU 55 far 0 61 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 10988 from cnoeabs.peaks (0.95, 2.10, 28.56 ppm; 4.31 A): 2 out of 15 assignments used, quality = 1.00: QG1 VAL 57 + HB3 GLN 61 OK 100 100 100 100 3.4-4.0 2.1/9378=75, 9377/3.0=70...(28) QG1 VAL 57 + HB2 GLN 61 OK 99 99 100 100 3.7-4.5 9377/3.0=70...(29) QG1 VAL 105 - HB2 GLU 102 far 0 59 0 - 5.0-6.0 QD2 LEU 53 - HB3 GLN 61 far 0 93 0 - 6.4-7.9 QD2 LEU 53 - HB2 GLN 61 far 0 92 0 - 7.7-9.3 QD1 LEU 48 - HB2 GLN 61 far 0 59 0 - 7.7-9.2 QD1 LEU 119 - HB2 GLU 102 far 0 56 0 - 7.7-10.7 QD1 LEU 119 - HB3 GLN 61 far 0 97 0 - 7.9-9.1 QG2 VAL 112 - HB3 GLN 61 far 0 60 0 - 8.1-9.2 QD1 LEU 48 - HB3 GLN 61 far 0 60 0 - 8.5-9.4 QD2 LEU 53 - HB2 GLU 102 far 0 52 0 - 8.6-12.2 QG2 VAL 112 - HB2 GLN 61 far 0 59 0 - 8.9-10.3 QG1 VAL 112 - HB3 GLN 61 far 0 92 0 - 9.2-10.8 QD1 LEU 119 - HB2 GLN 61 far 0 96 0 - 9.3-10.5 QG2 VAL 126 - HB2 GLU 102 far 0 56 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 10989 from cnoeabs.peaks (0.87, 2.28, 33.67 ppm; 4.43 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 57 + HG2 GLN 61 OK 100 100 100 100 3.3-4.5 2.1/9377=87...(22) QD2 LEU 69 - HG2 GLN 61 far 0 100 0 - 8.7-10.3 QD2 LEU 123 - HG2 GLN 61 far 0 89 0 - 10.0-11.3 Violated in 1 structures by 0.00 A. Peak 10990 from cnoeabs.peaks (8.65, 0.68, 23.19 ppm; 4.39 A): 1 out of 6 assignments used, quality = 0.65: H HIS 67 + QD2 LEU 100 OK 65 65 100 100 2.2-2.9 9461=99, 11037/2.1=69...(19) H SER 50 - QD2 LEU 62 far 0 99 0 - 5.4-5.8 H SER 60 - QD2 LEU 62 far 0 92 0 - 6.7-7.1 H HIS 67 - QD2 LEU 62 far 0 100 0 - 7.1-7.4 H SER 60 - QD2 LEU 100 far 0 56 0 - 7.7-8.2 H SER 50 - QD2 LEU 100 far 0 63 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 10992 from cnoeabs.peaks (0.80, 1.65, 26.14 ppm; 3.68 A increased from 3.47 A): 2 out of 8 assignments used, quality = 0.96: QD2 LEU 119 + HG LEU 62 OK 95 100 100 96 3.0-3.7 3795/2.1=29, 3793=23...(24) QD1 LEU 53 + HG LEU 62 OK 23 100 25 92 3.7-6.1 ~10338=45, ~10338=41...(12) QD1 LEU 103 - HG LEU 62 far 0 90 0 - 4.8-5.9 QD1 LEU 122 - HG LEU 62 far 0 98 0 - 5.4-9.0 QD2 LEU 122 - HG LEU 62 far 0 97 0 - 5.8-9.1 QD2 LEU 49 - HG LEU 62 far 0 100 0 - 5.9-6.3 QG1 VAL 63 - HG LEU 62 far 0 92 0 - 7.3-7.7 QD1 LEU 96 - HG LEU 62 far 0 68 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 10994 from cnoeabs.peaks (0.80, 3.85, 57.95 ppm; 4.39 A increased from 3.91 A): 1 out of 8 assignments used, quality = 0.89: QD2 LEU 49 + HA LEU 62 OK 89 100 100 89 4.0-4.4 9431/10993=44...(7) QD1 LEU 122 - HA LEU 62 poor 17 98 45 39 4.5-8.0 9434/6847=10...(6) QD1 LEU 53 - HA LEU 62 poor 13 100 30 45 3.9-5.7 10992/3.7=13...(6) QD2 LEU 122 - HA LEU 62 far 0 97 0 - 5.0-8.0 QD2 LEU 119 - HA LEU 62 far 0 100 0 - 5.2-5.7 QD1 LEU 103 - HA LEU 62 far 0 90 0 - 5.7-6.6 QG1 VAL 63 - HA LEU 62 far 0 92 0 - 6.1-6.1 QD1 LEU 96 - HA LEU 62 far 0 68 0 - 6.8-7.6 Violated in 2 structures by 0.00 A. Peak 10995 from cnoeabs.peaks (0.76, 1.14, 42.10 ppm; 4.56 A): 2 out of 6 assignments used, quality = 0.97: QD1 LEU 103 + HB3 LEU 62 OK 85 85 100 100 3.2-4.8 2.1/11823=92...(12) QD2 LEU 103 + HB3 LEU 62 OK 78 78 100 99 2.3-3.2 11823=68, ~9395=46...(13) QD2 LEU 122 - HB3 LEU 62 poor 15 73 20 - 3.4-7.8 QG1 VAL 63 - HB3 LEU 62 far 0 83 0 - 5.7-6.1 QD1 LEU 96 - HB3 LEU 62 far 0 98 0 - 6.1-8.2 QD2 LEU 96 - HB3 LEU 62 far 0 93 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 10996 from cnoeabs.peaks (1.48, 0.68, 23.19 ppm; 3.04 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 52 + QD2 LEU 62 OK 100 100 100 100 1.7-1.8 9232=94, 9317/9319=44...(16) HB2 LEU 49 - QD2 LEU 62 far 0 83 0 - 4.7-5.5 HB2 LEU 49 - QD2 LEU 100 far 0 48 0 - 6.5-7.4 QB ALA 52 - QD2 LEU 100 far 0 66 0 - 6.7-7.3 Violated in 0 structures by 0.00 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 4.3-4.5 10993=97, 2.1/1970=84...(8) QG2 THR 54 - HA LEU 62 far 0 92 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 10998 from cnoeabs.peaks (1.53, 3.85, 57.95 ppm; 4.96 A): 0 out of 4 assignments used, quality = 0.00: HG LEU 103 - HA LEU 62 far 0 71 0 - 6.6-7.7 HB2 LEU 119 - HA LEU 62 far 0 93 0 - 6.8-7.2 HB2 LEU 53 - HA LEU 62 far 0 97 0 - 7.0-8.6 HG LEU 69 - HA LEU 62 far 0 89 0 - 9.2-9.9 Violated in 20 structures by 0.98 A. Peak 10999 from cnoeabs.peaks (4.31, 3.85, 57.95 ppm; 6.16 A increased from 5.80 A): 1 out of 2 assignments used, quality = 0.78: HA ASN 59 + HA LEU 62 OK 78 78 100 100 5.3-5.8 9387/1998=85...(13) HA ALA 110 - HA LEU 62 far 0 63 0 - 9.9-12.1 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 3.5-3.9 9388/2.1=95, 1880/3.0=77...(21) Violated in 0 structures by 0.00 A. Peak 11001 from cnoeabs.peaks (4.00, 0.91, 26.02 ppm; 4.62 A): 1 out of 9 assignments used, quality = 0.74: HA LEU 119 + QD1 LEU 62 OK 74 83 100 89 2.1-3.2 3.7/2009=30, ~10951=29...(13) HA SER 50 - QD1 LEU 62 far 0 98 0 - 6.1-6.8 HA SER 60 - QD1 LEU 62 far 0 100 0 - 6.2-6.8 HA LEU 103 - QD1 LEU 62 far 0 97 0 - 6.4-7.2 HB3 SER 99 - QD1 LEU 62 far 0 100 0 - 6.5-8.3 HB3 SER 124 - QD1 LEU 62 far 0 73 0 - 8.1-9.7 HB3 SER 106 - QD1 LEU 62 far 0 65 0 - 8.2-11.0 HB3 SER 51 - QD1 LEU 62 far 0 73 0 - 8.3-9.1 HB2 SER 124 - QD1 LEU 62 far 0 97 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 11002 from cnoeabs.peaks (4.19, 0.91, 26.02 ppm; 5.36 A): 1 out of 4 assignments used, quality = 0.98: HA LEU 53 + QD1 LEU 62 OK 98 98 100 100 2.0-3.4 10038/2.1=99...(8) HA SER 51 - QD1 LEU 62 far 0 60 0 - 7.7-8.2 HA SER 99 - QD1 LEU 62 far 0 57 0 - 8.4-9.8 HA HIS 67 - QD1 LEU 62 far 0 57 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 11003 from cnoeabs.peaks (7.42, 1.14, 42.10 ppm; 4.78 A): 2 out of 3 assignments used, quality = 0.98: H LEU 62 + HB3 LEU 62 OK 97 97 100 100 2.2-3.6 3.9=100 H GLN 61 + HB3 LEU 62 OK 22 100 25 89 4.6-6.4 10983/3.0=41...(7) HE22 GLN 104 - HB3 LEU 62 far 0 100 0 - 7.0-9.7 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 3 assignments used, quality = 0.93: H VAL 63 + HB3 LEU 62 OK 93 93 100 100 3.0-3.9 4.5=100 H LEU 122 - HB3 LEU 62 far 0 100 0 - 6.1-8.5 H GLN 127 - HB3 LEU 62 far 0 97 0 - 9.8-12.8 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 5 assignments used, quality = 0.68: H ALA 52 + QD2 LEU 62 OK 68 68 100 100 3.8-4.1 2.9/10996=87...(12) H VAL 57 - QD2 LEU 62 far 0 100 0 - 5.0-5.6 H SER 51 - QD2 LEU 62 far 0 85 0 - 5.2-5.7 H ALA 52 - QD2 LEU 100 far 0 38 0 - 9.1-9.9 H SER 51 - QD2 LEU 100 far 0 50 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 11006 from cnoeabs.peaks (7.88, 0.68, 23.19 ppm; 4.82 A): 2 out of 7 assignments used, quality = 0.75: H GLN 68 + QD2 LEU 100 OK 54 57 100 94 4.6-5.3 6872/9461=63...(8) H GLN 104 + QD2 LEU 100 OK 45 51 100 89 3.8-4.4 3.9/10025=38...(9) H GLU 102 - QD2 LEU 100 far 5 36 15 - 5.4-5.8 H SER 106 - QD2 LEU 100 far 0 48 0 - 7.5-8.0 H THR 115 - QD2 LEU 62 far 0 68 0 - 8.2-9.7 H GLN 68 - QD2 LEU 62 far 0 93 0 - 8.3-8.9 H GLN 104 - QD2 LEU 62 far 0 87 0 - 8.5-9.1 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 3 assignments used, quality = 0.65: HD2 HIS 67 + QD2 LEU 100 OK 65 65 100 100 2.0-3.2 10044/2.1=87...(8) QD TYR 72 - QD2 LEU 100 far 0 66 0 - 8.6-9.3 HD2 HIS 67 - QD2 LEU 62 far 0 100 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 11008 from cnoeabs.peaks (8.28, 0.68, 23.19 ppm; 5.53 A increased from 4.66 A): 4 out of 13 assignments used, quality = 0.98: H LEU 49 + QD2 LEU 62 OK 83 87 100 95 5.0-5.5 9247/10996=81...(5) H LEU 123 + QD2 LEU 62 OK 57 71 90 89 4.9-6.4 11818/10338=66...(7) H LEU 69 + QD2 LEU 100 OK 54 57 100 95 5.3-5.8 6873/9461=54...(8) H SER 99 + QD2 LEU 100 OK 51 64 80 100 5.9-6.4 3.4/7400=87...(19) H LEU 123 - QD2 LEU 100 far 0 40 0 - 6.3-7.8 H VAL 126 - QD2 LEU 100 far 0 65 0 - 6.9-8.2 H LEU 49 - QD2 LEU 100 far 0 51 0 - 7.3-8.0 H LEU 96 - QD2 LEU 100 far 0 62 0 - 7.4-8.0 H VAL 126 - QD2 LEU 62 far 0 99 0 - 7.6-8.4 H GLY 111 - QD2 LEU 62 far 0 87 0 - 7.8-10.1 H LEU 69 - QD2 LEU 62 far 0 93 0 - 8.3-8.8 H ALA 110 - QD2 LEU 62 far 0 90 0 - 8.9-11.5 H ALA 110 - QD2 LEU 100 far 0 54 0 - 9.8-13.2 Violated in 0 structures by 0.00 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 4.1-4.7 2.1/9386=98, 3.2/9398=58...(25) 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 1.9-2.5 11437=80, 3.0/11440=70...(27) HG2 GLN 68 + QD1 LEU 49 OK 45 56 100 80 3.0-4.5 9479/10966=44...(8) HB2 GLN 68 - QD1 LEU 49 poor 14 57 25 - 4.6-5.8 HB3 GLN 127 - QD1 LEU 49 far 0 58 0 - 6.2-7.4 HB3 LEU 96 - QD1 LEU 49 far 0 52 0 - 6.4-7.0 HB3 GLU 102 - QG2 VAL 63 far 0 100 0 - 7.1-8.2 HB2 GLN 101 - QG2 VAL 63 far 0 87 0 - 7.5-8.1 HB3 GLU 97 - QD1 LEU 49 far 0 56 0 - 8.4-10.1 HG2 GLN 68 - QG2 VAL 63 far 0 99 0 - 8.7-10.7 HB2 GLN 68 - QG2 VAL 63 far 0 100 0 - 8.8-10.7 HB3 GLU 97 - QG2 VAL 63 far 0 99 0 - 9.2-10.0 HB3 GLN 104 - QD1 LEU 49 far 0 58 0 - 9.6-10.8 HB3 GLU 128 - QD1 LEU 49 far 0 58 0 - 9.7-10.4 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 3.0-3.3 3.0/11522=75...(28) HB3 GLN 104 + QG1 VAL 63 OK 78 78 100 100 1.7-1.9 3.0/11522=75...(30) HB2 GLN 101 - QG1 VAL 63 far 0 99 0 - 6.3-7.2 HB2 GLN 68 - QG1 VAL 63 far 0 85 0 - 7.0-8.8 HB3 GLU 102 - QG1 VAL 63 far 0 60 0 - 7.4-9.0 HB3 GLN 68 - QG1 VAL 63 far 0 78 0 - 7.6-8.9 HB3 GLU 97 - QG1 VAL 63 far 0 90 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 11012 from cnoeabs.peaks (1.14, 0.91, 22.96 ppm; 4.44 A increased from 3.95 A): 1 out of 5 assignments used, quality = 0.96: HB3 LEU 62 + QG2 VAL 63 OK 96 100 100 96 3.4-4.3 4.5/6814=55, 1987=50...(9) HB3 LEU 62 - QD1 LEU 49 far 0 58 0 - 5.9-7.7 QG2 THR 115 - QG2 VAL 63 far 0 99 0 - 7.2-8.4 QB ALA 41 - QD1 LEU 49 far 0 28 0 - 8.4-9.0 QG2 VAL 132 - QD1 LEU 49 far 0 58 0 - 9.0-9.4 Violated in 0 structures by 0.00 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 4.0-4.5 10969/2.1=85...(17) HB3 ASN 120 + HB3 PRO 117 OK 35 36 100 100 4.8-5.2 11561/2.3=90...(6) HB2 ASN 120 + HB3 PRO 117 OK 30 36 85 100 5.9-6.8 ~11561=88, ~11625=87...(10) HB2 ASN 121 + HB3 PRO 117 OK 21 37 60 95 4.4-6.6 3.8/10316=67...(11) Violated in 0 structures by 0.00 A. Peak 11014 from cnoeabs.peaks (1.36, 0.78, 21.57 ppm; 4.53 A): 1 out of 6 assignments used, quality = 0.87: HB3 LEU 100 + QG1 VAL 63 OK 87 87 100 100 3.2-3.9 3.2/10974=78...(25) QB ALA 108 - QG1 VAL 63 far 0 76 0 - 7.6-8.5 QB ALA 109 - QG1 VAL 63 far 0 65 0 - 7.9-8.8 QB ALA 110 - QG1 VAL 63 far 0 81 0 - 8.5-10.4 QB ALA 15 - QG1 VAL 63 far 0 81 0 - 8.7-29.2 HB2 LEU 96 - QG1 VAL 63 far 0 85 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 11015 from cnoeabs.peaks (1.55, 0.78, 21.57 ppm; 5.03 A): 2 out of 4 assignments used, quality = 1.00: HG LEU 103 + QG1 VAL 63 OK 100 100 100 100 3.6-4.9 3.0/10972=58, ~11832=53...(22) HB2 LEU 103 + QG1 VAL 63 OK 76 76 100 100 4.8-5.6 4.6/11810=51...(28) HG LEU 49 - QG1 VAL 63 far 0 87 0 - 7.1-7.7 HB2 LEU 119 - QG1 VAL 63 far 0 98 0 - 8.7-9.7 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 6 assignments used, quality = 1.00: HB3 LEU 103 + QG1 VAL 63 OK 96 96 100 100 3.2-4.2 3.0/10965=66...(32) HB2 LEU 100 + QG1 VAL 63 OK 89 89 100 100 4.7-5.3 1.8/10964=92...(22) HG LEU 100 + QG1 VAL 63 OK 63 63 100 100 4.3-5.3 2.1/10974=96...(18) HB3 LEU 122 - QG1 VAL 63 far 0 97 0 - 7.2-8.0 HB3 LEU 98 - QG1 VAL 63 far 0 83 0 - 9.5-10.6 HB2 LEU 48 - QG1 VAL 63 far 0 73 0 - 9.7-10.3 Violated in 0 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 = 0.71: QD1 LEU 100 + QG1 VAL 63 OK 71 71 100 100 3.9-4.2 2.1/10974=86...(22) QD1 ILE 129 - QG1 VAL 63 far 0 93 0 - 9.6-10.5 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 3.6-3.9 2.9/2019=79...(13) HA2 GLY 66 + HA VAL 63 OK 99 99 100 99 5.1-5.4 2.9/2019=79, 3.6/6860=50...(12) HD2 PRO 58 - HA VAL 63 far 0 90 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 11019 from cnoeabs.peaks (3.99, 0.78, 21.57 ppm; 4.61 A): 1 out of 7 assignments used, quality = 0.91: HA SER 60 + QG1 VAL 63 OK 91 92 100 99 4.0-4.3 2020/2.1=81...(12) HA LEU 103 - QG1 VAL 63 far 0 78 0 - 5.5-6.4 HA THR 65 - QG1 VAL 63 far 0 73 0 - 6.3-6.6 HB3 SER 99 - QG1 VAL 63 far 0 97 0 - 6.9-8.6 HA GLN 68 - QG1 VAL 63 far 0 100 0 - 7.7-8.1 HB2 SER 106 - QG1 VAL 63 far 0 63 0 - 7.9-9.3 HB3 SER 106 - QG1 VAL 63 far 0 90 0 - 8.0-10.1 Violated in 0 structures by 0.00 A. Peak 11020 from cnoeabs.peaks (4.06, 0.78, 21.57 ppm; 5.28 A): 1 out of 5 assignments used, quality = 0.71: HA GLN 104 + QG1 VAL 63 OK 71 71 100 100 3.1-3.8 3.9/11522=82...(17) HB THR 65 - QG1 VAL 63 far 0 100 0 - 6.2-6.4 HA GLU 102 - QG1 VAL 63 far 0 95 0 - 6.8-7.7 HA LEU 122 - QG1 VAL 63 far 0 93 0 - 8.4-9.2 HA LEU 96 - QG1 VAL 63 far 0 78 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 11021 from cnoeabs.peaks (7.16, 4.46, 57.70 ppm; 6.17 A increased from 4.93 A): 1 out of 2 assignments used, quality = 0.98: HD2 HIS 67 + HA ASP 64 OK 98 98 100 100 5.8-6.1 4.0/2046=87, 4.0/2102=85...(6) QD TYR 72 - HA ASP 64 far 0 95 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 11023 from cnoeabs.peaks (2.30, 3.97, 66.53 ppm; 4.95 A): 1 out of 2 assignments used, quality = 0.78: HG3 GLN 68 + HA THR 65 OK 78 78 100 100 3.9-5.0 10990/2074=69...(13) HG2 GLN 61 - HA THR 65 far 0 83 0 - 6.2-8.3 Violated in 4 structures by 0.01 A. Peak 11024 from cnoeabs.peaks (2.29, 1.23, 22.77 ppm; 4.39 A): 0 out of 1 assignment used, quality = 0.00: HG2 GLN 61 - QG2 THR 65 far 0 100 0 - 5.0-6.6 Violated in 20 structures by 2.01 A. Peak 11025 from cnoeabs.peaks (1.56, 1.23, 22.77 ppm; 3.90 A): 1 out of 6 assignments used, quality = 0.97: HG LEU 49 + QG2 THR 65 OK 97 97 100 100 1.8-1.9 2.1/9431=80...(27) HB2 LEU 119 - QG2 THR 65 far 0 89 0 - 9.0-9.4 HG LEU 103 - QG2 THR 65 far 0 99 0 - 9.1-10.1 HB3 LEU 42 - QG2 THR 65 far 0 87 0 - 9.2-9.8 HG LEU 123 - QG2 THR 65 far 0 100 0 - 9.3-10.0 HB2 LEU 103 - QG2 THR 65 far 0 92 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 11026 from cnoeabs.peaks (1.77, 1.23, 22.77 ppm; 4.17 A): 1 out of 5 assignments used, quality = 0.93: HB2 LEU 48 + QG2 THR 65 OK 93 93 100 100 1.9-2.5 3.0/9441=62...(18) HB3 LEU 122 - QG2 THR 65 far 0 65 0 - 6.5-8.4 HG LEU 100 - QG2 THR 65 far 0 97 0 - 7.1-7.5 HG13 ILE 129 - QG2 THR 65 far 0 76 0 - 7.7-10.8 HB3 LEU 103 - QG2 THR 65 far 0 68 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 11027 from cnoeabs.peaks (3.86, 1.23, 22.77 ppm; 4.64 A): 1 out of 5 assignments used, quality = 0.86: HA LEU 62 + QG2 THR 65 OK 86 87 100 99 4.3-4.5 10997=64, 1970/2.1=60...(8) HB3 SER 50 - QG2 THR 65 far 0 71 0 - 6.2-7.5 HB2 SER 50 - QG2 THR 65 far 0 68 0 - 6.2-7.8 HA LEU 123 - QG2 THR 65 far 0 90 0 - 6.4-7.2 HA LEU 70 - QG2 THR 65 far 0 87 0 - 8.4-8.6 Violated in 0 structures by 0.00 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 3.5-3.9 4.9/2074=80, ~6853=66...(16) HA3 GLY 66 + QG2 THR 65 OK 87 87 100 100 4.5-4.9 4.9/2074=80, ~6853=66...(13) HD2 PRO 58 - QG2 THR 65 far 0 100 0 - 8.6-9.1 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 2 assignments used, quality = 0.78: H GLN 68 + QG2 THR 65 OK 78 78 100 100 4.5-4.9 5.1/11016=65...(11) H GLU 128 - QG2 THR 65 far 0 100 0 - 9.3-10.0 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 4.5-4.9 3.2/11703=87, 9212=67...(14) H HIS 67 + QG2 THR 65 OK 100 100 100 100 4.8-5.1 6864/4.4=78, 6845/4.0=67...(11) H SER 60 - QG2 THR 65 far 0 99 0 - 9.9-10.2 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 1.9-2.7 10045/2.9=78...(25) QD1 LEU 100 + HA2 GLY 66 OK 95 95 100 100 2.7-3.2 10045/2.9=78...(21) Violated in 0 structures by 0.00 A. Peak 11033 from cnoeabs.peaks (0.89, 3.63, 47.55 ppm; 5.14 A): 5 out of 19 assignments used, quality = 1.00: QG2 VAL 63 + HA3 GLY 66 OK 80 83 100 97 5.3-5.6 ~2019=38, 3.2/10975=33...(13) QD2 LEU 69 + HA3 GLY 66 OK 80 81 100 99 4.8-5.3 ~11058=53, 11053/1.8=52...(23) QD1 LEU 49 + HA3 GLY 66 OK 78 78 100 100 3.4-4.4 9433/2.9=87, 2.1/9208=49...(15) QD2 LEU 69 + HA2 GLY 66 OK 77 78 100 100 3.3-3.9 2.1/11058=66, 11053=55...(25) QD1 LEU 49 + HA2 GLY 66 OK 75 75 100 100 1.9-3.0 9433/2.9=87, 2.1/9208=49...(17) QG1 VAL 118 - HA3 GLY 66 far 0 98 0 - 6.1-6.8 QD1 LEU 62 - HA3 GLY 66 far 0 76 0 - 6.5-7.0 QG2 VAL 63 - HA2 GLY 66 far 0 80 0 - 6.7-6.9 QD1 LEU 62 - HA2 GLY 66 far 0 73 0 - 7.0-7.6 QG1 VAL 118 - HA2 GLY 66 far 0 96 0 - 7.2-7.9 QD2 LEU 48 - HA2 GLY 66 far 0 84 0 - 7.8-8.7 QD2 LEU 48 - HA3 GLY 66 far 0 87 0 - 8.6-9.7 QG2 VAL 57 - HA3 GLY 66 far 0 63 0 - 8.9-9.4 QD2 LEU 123 - HA2 GLY 66 far 0 98 0 - 9.0-9.8 QD2 LEU 98 - HA3 GLY 66 far 0 93 0 - 9.1-11.2 QG2 VAL 57 - HA2 GLY 66 far 0 60 0 - 9.1-9.7 QD2 LEU 123 - HA3 GLY 66 far 0 99 0 - 9.1-10.0 QD2 LEU 98 - HA2 GLY 66 far 0 91 0 - 9.6-11.7 QD1 LEU 98 - HA3 GLY 66 far 0 63 0 - 9.7-10.9 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 4 assignments used, quality = 0.80: H LEU 69 + HA HIS 67 OK 80 81 100 100 4.3-4.4 6916=72, 3.6/6936=67...(12) H SER 99 - HA HIS 67 far 0 93 0 - 8.9-9.9 H LEU 96 - HA HIS 67 far 0 100 0 - 9.4-9.8 H LEU 49 - HA HIS 67 far 0 71 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 11035 from cnoeabs.peaks (8.88, 4.22, 58.98 ppm; 5.60 A): 1 out of 1 assignment used, quality = 0.85: H GLY 66 + HA HIS 67 OK 85 85 100 100 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; 5.85 A increased from 4.68 A): 3 out of 7 assignments used, quality = 1.00: HB2 GLN 68 + HA HIS 67 OK 94 100 95 99 5.6-6.6 2139/6916=78...(12) HG2 GLN 68 + HA HIS 67 OK 90 96 95 100 5.3-7.0 2150/3.6=85...(10) HB3 GLU 97 + HA HIS 67 OK 36 100 40 89 5.6-7.0 10030/10037=62...(7) HB3 GLN 104 - HA HIS 67 far 0 100 0 - 7.6-8.6 HB2 GLN 101 - HA HIS 67 far 0 95 0 - 8.2-9.8 HB3 LEU 96 - HA HIS 67 far 0 89 0 - 8.3-8.8 HB2 GLN 104 - HA HIS 67 far 0 57 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 11039 from cnoeabs.peaks (8.44, 3.99, 58.83 ppm; 4.96 A): 2 out of 6 assignments used, quality = 0.94: H VAL 93 + HA GLU 91 OK 78 79 100 100 4.4-5.1 7258/3.6=83, 7263/2.9=72...(8) H LEU 70 + HA GLN 68 OK 73 73 100 99 4.1-4.4 3.4/6956=73, 6938=62...(12) H ASN 13 - HA GLU 91 far 8 80 10 - 4.0-39.2 H ALA 12 - HA GLU 91 far 4 81 5 - 5.4-38.9 H MET 11 - HA GLU 91 far 2 42 5 - 5.2-41.1 H ALA 12 - HA GLN 68 far 0 100 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 11040 from cnoeabs.peaks (1.38, 3.99, 58.83 ppm; 6.80 A): 0 out of 13 assignments used, quality = 0.00: HG2 LYS 95 - HA GLU 91 lone 12 79 100 16 4.5-7.4 3000/4.9=10, 11309/3.0=3 QB ALA 15 - HA GLU 91 far 12 81 15 - 4.9-36.4 QB ALA 12 - HA GLU 91 far 9 59 15 - 2.8-30.8 HG3 LYS 95 - HA GLU 91 lone 9 80 100 11 4.6-7.0 ~11309=8 QB ALA 15 - HA GLN 68 far 5 100 5 - 6.4-31.5 HG LEU 96 - HA GLN 68 far 0 89 0 - 8.9-9.5 HB3 LEU 100 - HA GLN 68 far 0 100 0 - 9.2-9.7 QB ALA 12 - HA GLN 68 far 0 81 0 - 9.3-32.4 HG2 LYS 36 - HA GLN 68 far 0 100 0 - 9.6-12.5 HB2 LEU 96 - HA GLU 91 far 0 81 0 - 9.7-10.3 HG LEU 96 - HA GLU 91 far 0 66 0 - 9.7-10.6 QB ALA 16 - HA GLU 91 far 0 52 0 - 9.8-39.0 HB2 LEU 42 - HA GLN 68 far 0 100 0 - 9.9-10.9 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 3.5-4.6 9479/1.8=84...(22) Violated in 0 structures by 0.00 A. Peak 11048 from cnoeabs.peaks (0.88, 2.18, 28.25 ppm; 4.90 A): 1 out of 3 assignments used, quality = 0.96: QD2 LEU 69 + HB3 GLN 68 OK 96 99 100 97 4.3-5.0 2218=34, ~11022=34...(16) QD2 LEU 70 - HB3 GLN 68 far 0 83 0 - 7.2-7.5 QG2 VAL 20 - HB3 GLN 68 far 0 92 0 - 8.9-27.5 Violated in 4 structures by 0.01 A. Peak 11049 from cnoeabs.peaks (1.67, 2.23, 33.86 ppm; 5.98 A): 1 out of 2 assignments used, quality = 1.00: HB2 LEU 69 + HG2 GLN 68 OK 100 100 100 100 4.7-5.6 11022/1.8=92...(20) HD3 LYS 36 - HG2 GLN 68 far 0 100 0 - 8.6-12.5 Violated in 0 structures by 0.00 A. Peak 11050 from cnoeabs.peaks (2.81, 2.23, 33.86 ppm; 6.24 A increased from 5.87 A): 1 out of 2 assignments used, quality = 1.00: HB3 ASP 71 + HG2 GLN 68 OK 100 100 100 100 5.9-6.3 2129/3.7=95...(12) HB3 ASP 64 - HG2 GLN 68 far 0 98 0 - 7.7-10.0 Violated in 2 structures by 0.00 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 2.1-3.6 9531=93, 6983/6973=69...(24) HD2 HIS 67 - HA LEU 69 far 0 96 0 - 8.5-8.6 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 3.9-5.2 2.2/11028=100...(16) Violated in 0 structures by 0.00 A. Peak 11057 from cnoeabs.peaks (0.80, 4.33, 58.25 ppm; 6.15 A increased from 5.47 A): 3 out of 8 assignments used, quality = 1.00: QD2 LEU 49 + HA LEU 69 OK 99 100 100 99 5.5-6.0 11820/3.6=65...(15) QD1 LEU 70 + HA LEU 69 OK 84 89 95 100 6.4-6.8 2261/4.9=69...(16) QG2 ILE 129 + HA LEU 69 OK 79 83 100 96 5.3-6.3 ~11712=59, 11034/3.0=36...(11) QD1 ILE 37 - HA LEU 69 far 4 76 5 - 6.5-7.4 QD1 LEU 122 - HA LEU 69 far 0 100 0 - 6.9-8.7 QD2 LEU 122 - HA LEU 69 far 0 92 0 - 8.0-9.9 QD1 LEU 53 - HA LEU 69 far 0 99 0 - 8.7-10.2 QG1 VAL 63 - HA LEU 69 far 0 85 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 11059 from cnoeabs.peaks (0.78, 2.16, 40.48 ppm; 5.73 A): 2 out of 8 assignments used, quality = 1.00: QD1 LEU 96 + HB3 LEU 69 OK 96 96 100 100 2.7-3.2 ~11805=92, ~11694=89...(17) QD2 LEU 49 + HB3 LEU 69 OK 94 95 100 100 3.2-3.6 11036/2.9=47...(23) QD1 LEU 122 - HB3 LEU 69 lone 8 76 95 12 4.6-6.5 9470/11030=4...(4) QD2 LEU 122 - HB3 LEU 69 lone 1 100 35 3 5.8-7.6 9448/2190=1 QD1 LEU 53 - HB3 LEU 69 far 0 97 0 - 6.6-8.2 QG1 VAL 63 - HB3 LEU 69 far 0 100 0 - 7.6-7.9 QD2 LEU 43 - HB3 LEU 69 far 0 60 0 - 8.5-9.4 QD1 ILE 37 - HB3 LEU 69 far 0 100 0 - 8.8-9.7 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 1 assignment used, quality = 1.00: QB ALA 46 + QD2 LEU 69 OK 100 100 100 100 2.9-3.1 11046/2.1=83...(24) Violated in 0 structures by 0.00 A. Peak 11061 from cnoeabs.peaks (0.78, 0.87, 28.07 ppm; 3.70 A increased from 3.11 A): 2 out of 10 assignments used, quality = 0.99: QD1 LEU 96 + QD2 LEU 69 OK 91 99 95 97 3.9-4.4 ~11037=43, 11036/2.1=34...(16) QD2 LEU 49 + QD2 LEU 69 OK 87 89 100 98 3.1-3.7 9431/11044=39...(25) QD1 LEU 122 - QD2 LEU 69 far 0 65 0 - 5.1-6.8 QD1 LEU 53 - QD2 LEU 69 far 0 93 0 - 5.4-6.6 QD2 LEU 43 - QD2 LEU 69 far 0 71 0 - 5.6-6.4 QD2 LEU 122 - QD2 LEU 69 far 0 99 0 - 6.3-7.4 QD1 ILE 37 - QD2 LEU 69 far 0 100 0 - 7.1-7.8 QG1 VAL 63 - QD2 LEU 69 far 0 100 0 - 7.5-7.9 QD1 LEU 103 - QD2 LEU 69 far 0 100 0 - 9.5-10.1 QD2 LEU 119 - QD2 LEU 69 far 0 81 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 11062 from cnoeabs.peaks (0.64, 0.87, 28.07 ppm; 4.74 A increased from 3.99 A): 2 out of 2 assignments used, quality = 0.98: QD1 LEU 42 + QD2 LEU 69 OK 97 97 100 100 4.3-4.8 2.1/11042=73, ~11039=70...(23) QD1 ILE 129 + QD2 LEU 69 OK 25 100 25 100 5.2-5.8 11038/2.1=85...(14) Violated in 0 structures by 0.00 A. Peak 11063 from cnoeabs.peaks (1.33, 1.01, 23.30 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.98: QB ALA 46 + QD1 LEU 69 OK 98 98 100 100 1.8-2.2 10900/2.1=75...(25) Violated in 0 structures by 0.00 A. Peak 11064 from cnoeabs.peaks (0.77, 1.01, 23.30 ppm; 3.82 A): 3 out of 10 assignments used, quality = 0.95: QD2 LEU 96 + QD1 LEU 69 OK 70 73 100 96 3.1-3.9 11805/3.2=37...(19) QD1 LEU 96 + QD1 LEU 69 OK 66 100 70 95 3.8-4.5 11061/2.1=36...(14) HG12 ILE 129 + QD1 LEU 69 OK 47 76 65 96 3.0-5.9 2.1/11038=63, ~11713=31...(15) QD2 LEU 49 - QD1 LEU 69 far 0 73 0 - 4.5-5.0 QD2 LEU 43 - QD1 LEU 69 far 0 87 0 - 4.6-5.3 QG1 VAL 93 - QD1 LEU 69 far 0 76 0 - 4.8-5.2 QD2 LEU 122 - QD1 LEU 69 far 0 93 0 - 6.5-8.3 QD1 ILE 37 - QD1 LEU 69 far 0 99 0 - 6.6-7.0 QD1 LEU 53 - QD1 LEU 69 far 0 81 0 - 6.6-8.1 QG1 VAL 63 - QD1 LEU 69 far 0 97 0 - 9.0-9.3 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 = 1.00: QD1 ILE 129 + QD1 LEU 69 OK 97 99 100 97 3.3-4.1 11713/2.1=37...(19) QD1 LEU 42 + QD1 LEU 69 OK 94 95 100 100 2.4-2.9 2.1/11039=73, 9084=51...(27) QD2 LEU 62 - QD1 LEU 69 far 0 60 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. Peak 11066 from cnoeabs.peaks (0.55, 1.01, 23.30 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.96: QD2 LEU 42 + QD1 LEU 69 OK 96 97 100 99 2.9-3.3 9177/11063=45, 9082=44...(25) Violated in 0 structures by 0.00 A. Peak 11067 from cnoeabs.peaks (0.77, 1.51, 27.00 ppm; 3.92 A): 2 out of 10 assignments used, quality = 0.99: QD1 LEU 96 + HG LEU 69 OK 96 99 100 96 3.2-3.8 ~11037=48, ~11805=38...(12) QD2 LEU 96 + HG LEU 69 OK 87 89 100 98 2.8-4.2 11037/2.1=77...(13) HG12 ILE 129 - HG LEU 69 far 5 90 5 - 3.6-7.4 QD1 LEU 53 - HG LEU 69 far 0 63 0 - 6.1-7.8 QG1 VAL 93 - HG LEU 69 far 0 90 0 - 6.1-6.6 QD2 LEU 122 - HG LEU 69 far 0 81 0 - 6.2-8.1 QD2 LEU 43 - HG LEU 69 far 0 97 0 - 6.8-7.6 QD2 LEU 103 - HG LEU 69 far 0 71 0 - 8.8-9.6 QG1 VAL 63 - HG LEU 69 far 0 89 0 - 9.3-9.7 QD1 ILE 37 - HG LEU 69 far 0 95 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 11069 from cnoeabs.peaks (2.08, 1.01, 23.30 ppm; 5.57 A increased from 4.46 A): 1 out of 7 assignments used, quality = 0.72: HB VAL 126 + QD1 LEU 69 OK 72 78 100 92 5.2-5.5 ~11052=55, ~11077=51...(6) HB3 GLU 44 - QD1 LEU 69 far 0 100 0 - 6.4-7.7 HB2 GLU 128 - QD1 LEU 69 far 0 100 0 - 7.5-8.2 HB2 GLN 127 - QD1 LEU 69 far 0 68 0 - 7.9-8.5 HG3 GLN 134 - QD1 LEU 69 far 0 100 0 - 8.5-9.4 HB3 LYS 39 - QD1 LEU 69 far 0 100 0 - 9.2-9.9 HG3 GLU 91 - QD1 LEU 69 far 0 68 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 11070 from cnoeabs.peaks (1.99, 0.87, 28.07 ppm; 5.94 A increased from 5.28 A): 1 out of 3 assignments used, quality = 0.95: HB ILE 129 + QD2 LEU 69 OK 95 95 100 100 5.2-6.0 9086/11042=70, ~11038=70...(19) HB3 LEU 53 - QD2 LEU 69 far 0 100 0 - 8.0-10.5 HB ILE 37 - QD2 LEU 69 far 0 78 0 - 9.6-10.1 Violated in 2 structures by 0.00 A. Peak 11071 from cnoeabs.peaks (2.94, 1.01, 23.30 ppm; 3.52 A): 2 out of 4 assignments used, quality = 0.99: HB2 CYS 45 + QD1 LEU 69 OK 95 100 95 100 2.8-4.4 1.8/11061=55, 9160=54...(20) HG CYS 73 + QD1 LEU 69 OK 90 100 100 90 1.8-2.0 9555/11084=28...(16) HE2 LYS 39 - QD1 LEU 69 far 0 97 0 - 8.2-9.4 HE3 LYS 39 - QD1 LEU 69 far 0 93 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 11072 from cnoeabs.peaks (3.13, 1.01, 23.30 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: HB3 CYS 45 + QD1 LEU 69 OK 100 100 100 100 3.5-4.2 1.8/11062=98, 9159=80...(22) HB3 TYR 76 - QD1 LEU 69 far 0 100 0 - 5.8-6.2 Violated in 0 structures by 0.00 A. Peak 11073 from cnoeabs.peaks (3.33, 1.01, 23.30 ppm; 5.10 A): 2 out of 5 assignments used, quality = 1.00: HB3 CYS 73 + QD1 LEU 69 OK 99 99 100 99 4.5-4.9 3.8/11084=60...(20) HB3 TYR 72 + QD1 LEU 69 OK 95 95 100 100 3.1-4.5 2.7/11064=86, 9514=68...(22) HB2 PHE 89 - QD1 LEU 69 far 0 95 0 - 8.0-8.5 HB2 HIS 67 - QD1 LEU 69 far 0 92 0 - 8.1-8.3 HB3 PHE 89 - QD1 LEU 69 far 0 99 0 - 8.2-8.5 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 = 0.99: HA LEU 42 + QD1 LEU 69 OK 97 97 100 100 3.6-4.2 9072=94, 3.9/11039=78...(10) HA ILE 129 + QD1 LEU 69 OK 61 100 65 94 5.4-6.2 4.2/11038=65, ~11070=37...(9) HA VAL 77 - QD1 LEU 69 far 0 87 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 11075 from cnoeabs.peaks (3.89, 1.01, 23.30 ppm; 4.36 A): 2 out of 7 assignments used, quality = 1.00: HA ALA 46 + QD1 LEU 69 OK 99 99 100 100 2.1-2.8 2.1/11046=92...(27) HA LEU 70 + QD1 LEU 69 OK 89 99 90 100 4.5-5.0 11810/11037=58...(19) HB3 SER 50 - QD1 LEU 69 far 0 100 0 - 6.9-8.5 HA ALA 41 - QD1 LEU 69 far 0 81 0 - 7.4-7.9 HA3 GLY 75 - QD1 LEU 69 far 0 92 0 - 7.9-8.6 HB2 SER 94 - QD1 LEU 69 far 0 93 0 - 9.8-10.5 HA LYS 86 - QD1 LEU 69 far 0 100 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 11076 from cnoeabs.peaks (3.89, 0.87, 28.07 ppm; 4.15 A): 1 out of 5 assignments used, quality = 1.00: HA ALA 46 + QD2 LEU 69 OK 100 100 100 100 1.7-1.8 9174=99, 2.1/11045=85...(26) HB3 SER 50 - QD2 LEU 69 far 0 100 0 - 6.0-7.7 HA LEU 70 - QD2 LEU 69 far 0 97 0 - 6.0-6.1 HA ALA 41 - QD2 LEU 69 far 0 87 0 - 7.3-8.1 HA3 GLY 75 - QD2 LEU 69 far 0 96 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 11077 from cnoeabs.peaks (3.44, 0.87, 28.07 ppm; 5.53 A): 1 out of 2 assignments used, quality = 0.99: HA VAL 126 + QD2 LEU 69 OK 99 100 100 99 4.7-5.0 9187/11045=70, ~11069=50...(11) HA ILE 129 - QD2 LEU 69 far 0 73 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 11078 from cnoeabs.peaks (2.93, 0.87, 28.07 ppm; 4.87 A): 2 out of 3 assignments used, quality = 0.99: HG CYS 73 + QD2 LEU 69 OK 93 98 100 95 4.1-4.5 9186/11045=44...(11) HB2 CYS 45 + QD2 LEU 69 OK 92 92 100 100 1.9-3.8 11062/2.1=82, ~11061=67...(26) HE2 LYS 39 - QD2 LEU 69 far 0 100 0 - 9.0-11.3 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 = 0.99: HG CYS 73 + HG LEU 69 OK 91 98 100 93 3.6-4.5 11071/2.1=41...(10) HB2 CYS 45 + HG LEU 69 OK 87 92 95 100 4.8-6.9 11062/2.1=83, ~11061=68...(18) Violated in 0 structures by 0.00 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 3.1-3.9 11054/2208=44...(24) HE22 GLN 134 - QD1 LEU 69 far 0 99 0 - 8.3-9.6 HD2 HIS 67 - QD1 LEU 69 far 0 93 0 - 8.4-8.6 Violated in 0 structures by 0.00 A. Peak 11081 from cnoeabs.peaks (6.81, 1.01, 23.30 ppm; 6.47 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 72 + QD1 LEU 69 OK 100 100 100 100 4.8-5.5 2.2/11080=100...(20) HE21 GLN 127 - QD1 LEU 69 far 5 98 5 - 6.4-11.1 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 3 assignments used, quality = 0.96: H CYS 45 + QD1 LEU 69 OK 96 96 100 100 4.5-4.8 3.2/11083=85...(21) H LYS 95 - QD1 LEU 69 far 0 99 0 - 8.7-9.2 H LEU 53 - QD1 LEU 69 far 0 92 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 11083 from cnoeabs.peaks (8.53, 1.01, 23.30 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: H ALA 46 + QD1 LEU 69 OK 100 100 100 100 2.8-3.1 9165=83, 3.1/11046=71...(25) Violated in 0 structures by 0.00 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 3.4-3.9 9563=96, 3.5/9522=64...(23) Violated in 0 structures by 0.00 A. Peak 11085 from cnoeabs.peaks (8.55, 0.87, 28.07 ppm; 4.92 A): 1 out of 1 assignment used, quality = 0.95: H ALA 46 + QD2 LEU 69 OK 95 95 100 100 2.6-3.2 2.9/11054=88...(21) 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 3.4-4.0 2.7/11063=91...(25) HD2 HIS 67 - QD2 LEU 69 far 0 63 0 - 7.4-7.9 HE22 GLN 134 - QD2 LEU 69 far 0 99 0 - 9.1-10.3 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 5 assignments used, quality = 1.00: HA GLN 134 + QD2 LEU 43 OK 95 95 100 100 3.8-4.9 3.0/9116=93, 11682=91...(20) HA ASP 47 + QD2 LEU 43 OK 92 100 100 93 5.5-6.3 10901/9176=73...(4) HA LEU 69 - QD2 LEU 43 far 0 98 0 - 7.4-8.4 HA TYR 76 - QD2 LEU 43 far 0 63 0 - 8.1-9.6 HA CYS 125 - QD2 LEU 43 far 0 92 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 11088 from cnoeabs.peaks (1.36, 0.75, 22.33 ppm; 3.55 A): 1 out of 3 assignments used, quality = 0.92: QB ALA 46 + QD2 LEU 43 OK 92 92 100 100 2.8-3.3 9176=87, 9177/9129=43...(16) HB2 LEU 42 - QD2 LEU 43 far 12 78 15 - 3.1-5.0 HB2 LEU 96 - QD2 LEU 43 far 0 73 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 11089 from cnoeabs.peaks (1.15, 0.75, 22.33 ppm; 3.94 A): 2 out of 6 assignments used, quality = 1.00: HG3 LYS 39 + QD2 LEU 43 OK 100 100 100 100 3.0-4.2 11901/2.1=79...(37) HG2 LYS 39 + QD2 LEU 43 OK 50 85 60 99 4.1-5.6 ~11901=53...(36) QG2 VAL 132 - QD2 LEU 43 far 0 92 0 - 5.2-6.1 QG1 VAL 132 - QD2 LEU 43 far 0 76 0 - 6.2-6.8 QB ALA 41 - QD2 LEU 43 far 0 89 0 - 6.2-7.0 QG2 VAL 77 - QD2 LEU 43 far 0 63 0 - 7.8-8.8 Violated in 1 structures by 0.01 A. Peak 11090 from cnoeabs.peaks (1.04, 0.75, 22.33 ppm; 3.57 A increased from 3.36 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 133 + QD2 LEU 43 OK 100 100 100 100 2.3-3.6 11776=94, 2.1/11777=78...(31) QG1 VAL 77 - QD2 LEU 43 far 0 87 0 - 8.9-9.9 Violated in 3 structures by 0.01 A. Peak 11091 from cnoeabs.peaks (8.03, 0.75, 22.33 ppm; 4.93 A): 1 out of 4 assignments used, quality = 1.00: H SER 130 + QD2 LEU 43 OK 100 100 100 100 3.9-4.5 2.9/11747=84...(17) H LEU 48 - QD2 LEU 43 far 0 96 0 - 6.9-7.5 H TYR 76 - QD2 LEU 43 far 0 97 0 - 8.3-9.8 H CYS 79 - QD2 LEU 43 far 0 97 0 - 9.7-11.0 Violated in 0 structures by 0.00 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 3.4-4.1 4.0/11777=74...(15) Violated in 0 structures by 0.00 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 4.4-5.1 3.1/9176=92...(7) H HIS 4 - QD2 LEU 43 far 0 97 0 - 6.9-57.4 H HIS 5 - QD2 LEU 43 far 0 89 0 - 7.9-54.7 Violated in 1 structures by 0.00 A. Peak 11096 from cnoeabs.peaks (7.14, 0.82, 25.52 ppm; 4.05 A): 0 out of 4 assignments used, quality = 0.00: HD2 HIS 67 - QD1 LEU 70 far 0 98 0 - 4.8-5.4 HD2 HIS 67 - QD1 LEU 122 far 0 58 0 - 4.9-7.0 QD TYR 72 - QD1 LEU 70 far 0 100 0 - 7.2-7.6 QD TYR 72 - QD1 LEU 122 far 0 60 0 - 8.5-10.3 Violated in 20 structures by 0.59 A. Peak 11097 from cnoeabs.peaks (7.70, 0.82, 25.52 ppm; 5.66 A increased from 5.32 A): 2 out of 5 assignments used, quality = 0.87: H LYS 95 + QD1 LEU 70 OK 79 100 80 99 5.8-6.6 3.6/11088=85, ~11083=58...(9) H GLN 101 + QD1 LEU 122 OK 37 40 95 97 4.6-7.3 7415/9487=53...(19) H GLN 101 - QD1 LEU 70 poor 15 76 50 38 6.0-6.5 7405/10000=16...(4) H LYS 95 - QD1 LEU 122 far 9 61 15 - 6.0-8.9 H LEU 53 - QD1 LEU 122 far 3 54 5 - 5.7-9.3 Violated in 0 structures by 0.00 A. Peak 11098 from cnoeabs.peaks (7.15, 0.86, 25.01 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.99: HD2 HIS 67 + QD2 LEU 70 OK 99 100 100 99 3.7-4.6 2096/11089=73...(7) QD TYR 72 - QD2 LEU 70 far 0 100 0 - 6.2-7.0 Violated in 0 structures by 0.00 A. Peak 11099 from cnoeabs.peaks (8.26, 0.82, 25.52 ppm; 4.74 A increased from 4.22 A): 2 out of 9 assignments used, quality = 0.71: H LEU 123 + QD1 LEU 122 OK 59 60 100 97 2.5-4.9 7744/3.1=56, 3891/2.1=35...(14) H SER 99 + QD1 LEU 122 OK 31 33 95 97 3.1-6.3 ~11481=47, 3.4/10026=33...(18) H VAL 126 - QD1 LEU 122 poor 19 35 65 85 3.7-5.7 4.7/9498=38...(12) H LEU 96 - QD1 LEU 122 far 9 57 15 - 4.2-7.0 H LEU 96 - QD1 LEU 70 far 5 97 5 - 5.2-5.8 H SER 99 - QD1 LEU 70 far 0 65 0 - 6.4-7.1 H SER 107 - QD1 LEU 122 far 0 28 0 - 7.5-9.6 H VAL 126 - QD1 LEU 70 far 0 68 0 - 8.4-9.0 H ARG 23 - QD1 LEU 70 far 0 85 0 - 8.9-24.1 Violated in 0 structures by 0.00 A. Peak 11101 from cnoeabs.peaks (3.78, 0.82, 25.52 ppm; 3.76 A increased from 3.54 A): 2 out of 9 assignments used, quality = 0.94: HA GLU 97 + QD1 LEU 70 OK 90 90 100 100 2.9-3.8 11090/2.1=71, 10000=60...(23) HB2 SER 99 + QD1 LEU 122 OK 43 46 95 99 1.8-5.1 11479=31, 11479/2.1=30...(33) HA GLU 97 - QD1 LEU 122 poor 17 50 35 - 3.7-6.0 HA ARG 90 - QD1 LEU 70 far 0 90 0 - 6.2-7.2 HB2 SER 99 - QD1 LEU 70 far 0 85 0 - 7.5-8.7 HB2 SER 9 - QD1 LEU 70 far 0 68 0 - 7.9-33.8 HB3 SER 9 - QD1 LEU 70 far 0 65 0 - 8.0-32.4 HB3 SER 130 - QD1 LEU 122 far 0 61 0 - 9.3-11.4 HA ARG 90 - QD1 LEU 122 far 0 50 0 - 9.3-12.1 Violated in 0 structures by 0.00 A. Peak 11102 from cnoeabs.peaks (4.21, 0.82, 25.52 ppm; 4.28 A increased from 3.81 A): 1 out of 10 assignments used, quality = 0.71: HA SER 94 + QD1 LEU 70 OK 71 76 100 93 3.6-4.7 11456/9489=45...(12) HA SER 99 - QD1 LEU 122 far 6 58 10 - 3.8-6.9 HA HIS 67 - QD1 LEU 70 far 5 99 5 - 4.6-5.0 HA HIS 67 - QD1 LEU 122 far 0 58 0 - 5.1-7.1 HB THR 25 - QD1 LEU 70 far 0 99 0 - 7.0-22.7 HA SER 94 - QD1 LEU 122 far 0 40 0 - 7.1-9.7 HA SER 51 - QD1 LEU 122 far 0 59 0 - 8.6-11.9 HA SER 99 - QD1 LEU 70 far 0 99 0 - 8.6-9.0 HA GLU 128 - QD1 LEU 122 far 0 54 0 - 9.4-11.5 HA VAL 105 - QD1 LEU 122 far 0 46 0 - 9.5-12.0 Violated in 2 structures by 0.02 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 2.1-2.7 3.0/11109=56...(26) HB2 SER 99 - QD2 LEU 70 far 0 99 0 - 6.1-7.2 HA ARG 90 - QD2 LEU 70 far 0 65 0 - 6.5-7.2 HA SER 130 - QD2 LEU 70 far 0 92 0 - 9.4-10.4 HB3 SER 130 - QD2 LEU 70 far 0 99 0 - 9.5-10.8 HA LEU 43 - QD2 LEU 70 far 0 93 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 11104 from cnoeabs.peaks (4.21, 0.86, 25.01 ppm; 4.43 A): 2 out of 4 assignments used, quality = 1.00: HA HIS 67 + QD2 LEU 70 OK 99 100 100 100 3.2-3.8 10037/11115=59...(14) HA SER 94 + QD2 LEU 70 OK 78 83 95 100 4.6-5.2 11088/2.1=78...(16) HA SER 99 - QD2 LEU 70 far 0 100 0 - 7.5-8.2 HB THR 25 - QD2 LEU 70 far 0 97 0 - 8.7-23.5 Violated in 0 structures by 0.00 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 3.3-4.8 3.4/2233=67, 3.4/2232=65...(13) HB2 CYS 45 - HA LEU 70 far 0 96 0 - 8.2-9.6 HE2 LYS 19 - HA LEU 70 far 0 63 0 - 9.8-39.2 Violated in 2 structures by 0.01 A. Peak 11106 from cnoeabs.peaks (2.24, 3.88, 58.34 ppm; 6.19 A): 3 out of 5 assignments used, quality = 1.00: HB3 LEU 96 + HA LEU 70 OK 98 98 100 100 5.9-6.7 3.2/11810=95...(6) HG2 GLU 97 + HA LEU 70 OK 60 68 100 88 4.2-5.2 11100/2261=44...(6) HB3 GLU 97 + HA LEU 70 OK 45 60 100 75 4.9-6.3 11110/2261=54...(3) HG2 GLN 68 - HA LEU 70 far 0 93 0 - 7.0-7.6 HB2 GLN 68 - HA LEU 70 far 0 68 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 11107 from cnoeabs.peaks (3.35, 1.71, 41.52 ppm; 6.38 A): 4 out of 8 assignments used, quality = 1.00: HB2 HIS 67 + HB3 LEU 70 OK 98 98 100 100 4.4-5.6 ~11089=70, ~6936=64...(25) HB2 HIS 67 + HB2 LEU 70 OK 74 99 75 100 5.6-7.3 ~11089=70, ~6936=64...(22) HB3 CYS 73 + HB2 LEU 70 OK 63 63 100 100 5.8-6.8 11093/3.2=95...(17) HB3 CYS 73 + HB3 LEU 70 OK 43 62 70 100 6.4-7.1 11093/3.2=95...(18) HB3 TYR 72 - HB3 LEU 70 far 0 97 0 - 7.2-8.7 HB3 TYR 72 - HB2 LEU 70 far 0 98 0 - 7.4-8.6 HA VAL 63 - HB3 LEU 70 far 0 88 0 - 8.0-9.0 HA VAL 63 - HB2 LEU 70 far 0 89 0 - 9.6-10.5 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 4 assignments used, quality = 1.00: HB3 ASP 71 + HB2 LEU 70 OK 100 100 100 100 4.7-5.3 6968/4.3=97, 9499/3.2=76...(9) HB3 ASP 71 + HB3 LEU 70 OK 100 100 100 100 4.4-5.3 6968/4.3=97, ~9509=80...(11) HB2 ASN 13 - HB2 LEU 70 far 5 100 5 - 7.0-34.8 HB2 ASN 13 - HB3 LEU 70 far 0 100 0 - 7.6-36.2 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 = 1.00: HB2 GLU 97 + QD2 LEU 70 OK 100 100 100 100 1.9-4.2 11111/2.1=70...(26) HB VAL 126 - QD2 LEU 70 far 0 57 0 - 6.7-7.3 HG3 GLU 91 - QD2 LEU 70 far 0 68 0 - 9.6-11.6 Violated in 3 structures by 0.02 A. Peak 11110 from cnoeabs.peaks (2.24, 0.82, 25.52 ppm; 3.39 A): 2 out of 16 assignments used, quality = 0.87: HB3 GLU 97 + QD1 LEU 70 OK 71 71 100 100 1.8-2.8 1.8/11111=60...(27) HG2 GLU 97 + QD1 LEU 70 OK 57 57 100 100 1.9-2.5 1.8/9489=63...(27) HB3 LEU 96 - QD1 LEU 122 far 6 60 10 - 3.4-6.2 HB3 LEU 96 - QD1 LEU 70 far 0 100 0 - 5.0-5.5 HG2 GLU 97 - QD1 LEU 122 far 0 28 0 - 5.1-8.2 HB3 GLU 97 - QD1 LEU 122 far 0 36 0 - 5.6-8.3 HB3 GLU 102 - QD1 LEU 122 far 0 55 0 - 5.8-9.7 HB3 GLN 104 - QD1 LEU 122 far 0 46 0 - 6.1-8.6 HB3 GLN 127 - QD1 LEU 122 far 0 51 0 - 6.1-8.7 HG2 GLN 68 - QD1 LEU 122 far 0 57 0 - 6.5-8.7 HB2 GLN 68 - QD1 LEU 122 far 0 41 0 - 7.4-9.9 HG2 GLN 68 - QD1 LEU 70 far 0 97 0 - 7.9-8.6 HB2 GLN 68 - QD1 LEU 70 far 0 78 0 - 8.5-8.7 HB3 GLU 128 - QD1 LEU 122 far 0 50 0 - 8.9-11.5 HB3 GLN 104 - QD1 LEU 70 far 0 85 0 - 9.2-10.6 HB3 GLU 102 - QD1 LEU 70 far 0 96 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 11111 from cnoeabs.peaks (2.13, 0.82, 25.52 ppm; 3.80 A): 1 out of 5 assignments used, quality = 1.00: HB2 GLU 97 + QD1 LEU 70 OK 100 100 100 100 1.7-3.2 11109/2.1=69...(26) HB VAL 126 - QD1 LEU 122 far 1 28 5 - 3.2-5.5 HB2 GLU 97 - QD1 LEU 122 far 0 61 0 - 5.4-7.6 HB VAL 126 - QD1 LEU 70 far 0 57 0 - 9.1-9.7 HG3 GLU 91 - QD1 LEU 70 far 0 68 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 11112 from cnoeabs.peaks (2.20, 1.71, 41.52 ppm; 5.89 A): 3 out of 10 assignments used, quality = 1.00: HB3 GLU 97 + HB2 LEU 70 OK 93 93 100 100 4.4-5.8 ~11109=77, ~11111=77...(32) HB3 GLU 97 + HB3 LEU 70 OK 92 92 100 100 4.5-6.0 ~11109=77, ~11111=77...(32) HG2 GLN 68 + HB3 LEU 70 OK 30 59 75 68 6.2-7.3 ~11027=30, ~9483=23...(7) HB2 GLN 68 - HB3 LEU 70 far 0 88 0 - 6.6-6.8 HB3 GLN 68 - HB3 LEU 70 far 0 72 0 - 6.8-7.1 HG2 GLN 68 - HB2 LEU 70 far 0 60 0 - 7.6-8.4 HB2 GLN 68 - HB2 LEU 70 far 0 89 0 - 7.9-8.2 HB3 GLN 68 - HB2 LEU 70 far 0 73 0 - 8.0-8.2 HB2 GLN 101 - HB3 LEU 70 far 0 99 0 - 9.0-10.8 HB2 GLN 101 - HB2 LEU 70 far 0 100 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 11113 from cnoeabs.peaks (1.38, 1.71, 41.52 ppm; 5.57 A increased from 5.24 A): 2 out of 13 assignments used, quality = 0.99: HG LEU 96 + HB2 LEU 70 OK 93 93 100 100 5.8-6.1 11106/3.2=96, ~11810=69...(16) HG LEU 96 + HB3 LEU 70 OK 92 92 100 100 5.0-5.6 11106/3.2=96, ~11810=69...(16) HB3 LEU 100 - HB3 LEU 70 poor 20 99 20 - 5.9-6.8 QB ALA 15 - HB2 LEU 70 far 5 100 5 - 2.1-30.4 QB ALA 15 - HB3 LEU 70 far 5 100 5 - 3.6-31.6 QB ALA 16 - HB2 LEU 70 far 0 81 0 - 6.5-33.7 HB3 LEU 100 - HB2 LEU 70 far 0 100 0 - 7.0-8.0 QB ALA 12 - HB2 LEU 70 far 0 73 0 - 7.1-27.6 HB2 LEU 96 - HB3 LEU 70 far 0 100 0 - 7.7-8.4 QB ALA 16 - HB3 LEU 70 far 0 80 0 - 7.8-34.9 QB ALA 12 - HB3 LEU 70 far 0 72 0 - 8.4-28.7 HB2 LEU 96 - HB2 LEU 70 far 0 100 0 - 8.6-9.0 HG2 LYS 24 - HB2 LEU 70 far 0 100 0 - 9.8-27.1 Violated in 0 structures by 0.00 A. Peak 11114 from cnoeabs.peaks (1.40, 0.86, 25.01 ppm; 3.54 A): 1 out of 9 assignments used, quality = 0.99: HG LEU 96 + QD2 LEU 70 OK 99 100 100 99 1.8-1.9 11105/2.1=38...(20) QB ALA 15 - QD2 LEU 70 far 5 92 5 - 4.0-27.8 HB2 LEU 96 - QD2 LEU 70 far 0 89 0 - 4.2-4.4 HB3 LEU 100 - QD2 LEU 70 far 0 87 0 - 4.5-5.4 QB ALA 16 - QD2 LEU 70 far 0 99 0 - 6.8-30.5 HG3 LYS 95 - QD2 LEU 70 far 0 96 0 - 7.1-8.7 HG2 LYS 95 - QD2 LEU 70 far 0 97 0 - 7.4-9.1 HB2 LEU 42 - QD2 LEU 70 far 0 85 0 - 9.4-9.8 QB ALA 34 - QD2 LEU 70 far 0 81 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 11115 from cnoeabs.peaks (0.60, 0.86, 25.01 ppm; 3.51 A): 1 out of 2 assignments used, quality = 0.98: QD1 LEU 100 + QD2 LEU 70 OK 98 100 100 98 1.8-2.6 10036/11090=41...(22) QD1 LEU 42 - QD2 LEU 70 far 0 60 0 - 5.5-6.0 Violated in 0 structures by 0.00 A. Peak 11116 from cnoeabs.peaks (0.65, 3.88, 58.34 ppm; 5.83 A increased from 5.49 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 129 + HA LEU 70 OK 99 99 100 99 5.0-5.9 10487/9484=83...(9) QD1 LEU 42 + HA LEU 70 OK 92 95 100 97 5.1-5.5 9565/6989=64...(8) Violated in 0 structures by 0.00 A. Peak 11117 from cnoeabs.peaks (1.63, 4.42, 57.33 ppm; 6.47 A increased from 5.44 A): 1 out of 4 assignments used, quality = 0.85: HG LEU 70 + HA ASP 71 OK 85 85 100 100 6.3-6.5 3.0/9509=95, ~6965=76...(16) HG3 ARG 23 - HA ASP 71 far 0 100 0 - 7.5-24.6 HD3 LYS 19 - HA ASP 71 far 0 87 0 - 9.2-33.9 HD3 LYS 24 - HA ASP 71 far 0 60 0 - 9.3-24.3 Violated in 2 structures by 0.00 A. Peak 11118 from cnoeabs.peaks (2.21, 2.81, 39.26 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: HB2 GLN 68 + HB3 ASP 71 OK 96 96 100 100 4.4-6.0 3.0/2129=100, ~2128=88...(14) HG2 GLN 68 + HB3 ASP 71 OK 73 73 100 100 5.9-6.3 3.7/2129=99...(11) HB3 GLN 68 + HB3 ASP 71 OK 60 60 100 100 4.6-5.4 3.0/2129=100, ~2128=88...(16) HB3 GLU 97 - HB3 ASP 71 far 0 98 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 11119 from cnoeabs.peaks (2.23, 2.63, 39.26 ppm; 6.80 A increased from 6.63 A): 2 out of 3 assignments used, quality = 1.00: HG2 GLN 68 + HB2 ASP 71 OK 100 100 100 100 6.8-7.4 3.7/2128=96...(9) HB2 GLN 68 + HB2 ASP 71 OK 93 93 100 100 5.7-6.9 3.0/2128=99, ~11114=95...(13) HB3 GLU 97 - HB2 ASP 71 far 0 89 0 - 9.1-11.4 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 4 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...(11) H ALA 34 - HB2 ASP 71 far 0 92 0 - 7.5-10.8 H ASN 13 - HB2 ASP 71 far 0 97 0 - 7.7-35.3 H ALA 12 - HB2 ASP 71 far 0 100 0 - 8.0-35.8 Violated in 0 structures by 0.00 A. Peak 11122 from cnoeabs.peaks (0.83, 4.38, 64.37 ppm; 5.25 A): 2 out of 7 assignments used, quality = 0.98: QG2 ILE 129 + HA CYS 73 OK 97 97 100 100 3.2-4.0 9083/9570=82...(21) QD2 LEU 70 + HA CYS 73 OK 39 71 55 100 5.3-6.1 ~9490=56, 11094/3.0=50...(17) QD1 LEU 70 - HA CYS 73 far 9 95 10 - 5.7-6.5 HG13 ILE 80 - HA CYS 73 far 0 99 0 - 6.1-7.5 QG1 VAL 133 - HA CYS 73 far 0 100 0 - 6.5-7.3 QG2 ILE 80 - HA CYS 73 far 0 87 0 - 7.8-8.6 QD1 LEU 122 - HA CYS 73 far 0 71 0 - 8.8-11.5 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 2.0-2.3 2.2/9538=89...(21) Violated in 0 structures by 0.00 A. Peak 11125 from cnoeabs.peaks (7.59, 4.38, 64.37 ppm; 4.90 A): 0 out of 1 assignment used, quality = 0.00: H ASP 78 - HA CYS 73 far 0 100 0 - 6.0-6.8 Violated in 20 structures by 1.44 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 3.7-5.0 2.6/11137=81...(13) 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 15 assignments used, quality = 0.00: HD3 LYS 19 - HB3 SER 74 far 5 99 5 - 4.3-33.7 HD3 LYS 19 - HB2 SER 74 far 5 99 5 - 5.4-33.7 HD2 LYS 19 - HB3 SER 74 far 5 99 5 - 6.0-34.1 HD3 LYS 24 - HB2 SER 74 far 4 89 5 - 5.8-23.3 HD3 LYS 24 - HB3 SER 74 far 0 89 0 - 6.3-23.7 HD2 LYS 24 - HB2 SER 74 far 0 87 0 - 6.4-24.5 HD2 LYS 19 - HB2 SER 74 far 0 99 0 - 6.9-34.1 HD2 LYS 24 - HB3 SER 74 far 0 87 0 - 7.1-24.8 HB2 LEU 69 - HB3 SER 74 far 0 68 0 - 7.8-9.9 HG3 ARG 23 - HB3 SER 74 far 0 89 0 - 7.9-24.4 HB2 LEU 69 - HB2 SER 74 far 0 68 0 - 8.0-9.2 HD2 LYS 86 - HB3 SER 74 far 0 90 0 - 9.0-11.3 HG3 ARG 23 - HB2 SER 74 far 0 89 0 - 9.1-23.7 HD2 LYS 86 - HB2 SER 74 far 0 90 0 - 9.5-11.3 HD3 LYS 26 - HB2 SER 74 far 0 92 0 - 9.9-17.5 Violated in 18 structures by 1.39 A. Peak 11128 from cnoeabs.peaks (1.78, 4.29, 61.54 ppm; 4.77 A increased from 4.01 A): 2 out of 8 assignments used, quality = 0.86: HB2 LYS 26 + HA THR 25 OK 64 68 95 99 4.5-5.6 3.0/11150=81, 4.0/582=81...(18) HB2 LYS 24 + HA THR 25 OK 60 60 100 100 4.2-5.0 ~6233=63, ~10697=54...(15) HB2 LYS 19 - HA SER 74 far 0 64 0 - 5.6-34.6 HB2 ARG 23 - HA THR 25 far 0 81 0 - 6.8-9.4 HB2 LYS 19 - HA THR 25 far 0 68 0 - 7.6-17.0 HB2 LYS 86 - HA SER 74 far 0 80 0 - 8.4-10.0 HB2 LYS 24 - HA SER 74 far 0 56 0 - 8.6-21.9 HB2 ARG 23 - HA SER 74 far 0 76 0 - 9.3-25.5 Violated in 0 structures by 0.00 A. Peak 11129 from cnoeabs.peaks (2.77, 4.07, 62.61 ppm; 6.80 A): 2 out of 6 assignments used, quality = 0.87: HB2 CYS 73 + HB2 SER 74 OK 64 68 100 94 3.9-5.2 7009/3.9=66, 9588/3.0=50...(6) HB2 CYS 73 + HB3 SER 74 OK 63 68 100 93 4.1-5.6 7009/3.9=66, 9588/3.0=50...(5) HB2 TYR 76 - HB3 SER 74 poor 19 92 30 68 7.0-8.0 9586/4.6=43...(3) HB2 TYR 76 - HB2 SER 74 poor 16 92 25 68 7.0-8.6 9586/4.6=43...(4) HB3 ASN 13 - HB3 SER 74 far 0 100 0 - 8.5-31.3 HB3 ASN 13 - HB2 SER 74 far 0 100 0 - 9.5-31.5 Violated in 0 structures by 0.00 A. Peak 11130 from cnoeabs.peaks (0.78, 4.07, 62.61 ppm; 4.99 A): 0 out of 5 assignments used, quality = 0.00: QD1 ILE 37 - HB2 SER 74 far 0 100 0 - 6.4-8.6 QD1 ILE 37 - HB3 SER 74 far 0 100 0 - 6.5-8.5 QD1 LEU 96 - HB2 SER 74 far 0 99 0 - 7.9-9.4 QD1 LEU 96 - HB3 SER 74 far 0 99 0 - 8.2-10.0 QD1 LEU 122 - HB2 SER 74 far 0 65 0 - 9.8-12.9 Violated in 20 structures by 1.30 A. Peak 11131 from cnoeabs.peaks (0.91, 4.07, 62.61 ppm; 4.99 A): 0 out of 8 assignments used, quality = 0.00: QG2 ILE 37 - HB2 SER 74 far 0 60 0 - 6.8-9.1 QG2 ILE 37 - HB3 SER 74 far 0 60 0 - 7.0-8.6 QG2 VAL 20 - HB2 SER 74 far 0 92 0 - 7.0-22.4 QG2 VAL 20 - HB3 SER 74 far 0 92 0 - 7.1-22.5 QG1 VAL 20 - HB2 SER 74 far 0 100 0 - 7.5-24.9 QG1 VAL 20 - HB3 SER 74 far 0 100 0 - 8.0-25.0 QD1 LEU 22 - HB2 SER 74 far 0 96 0 - 8.5-20.3 QD1 LEU 22 - HB3 SER 74 far 0 96 0 - 8.5-20.1 Violated in 20 structures by 1.50 A. Peak 11132 from cnoeabs.peaks (4.08, 4.32, 45.60 ppm; 5.65 A): 2 out of 3 assignments used, quality = 0.98: HB3 SER 74 + HA2 GLY 75 OK 86 98 100 88 4.1-5.4 7019/2.9=45, ~7018=36...(6) HB2 SER 74 + HA2 GLY 75 OK 85 97 100 87 4.2-5.7 7019/2.9=45, ~7019=36...(6) HA CYS 79 - HA2 GLY 75 far 0 63 0 - 7.4-8.0 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 = 0.97: QG2 ILE 37 + HA TYR 76 OK 97 97 100 100 3.1-3.7 10667/3.0=96, 10919=96...(21) QG1 VAL 20 - HA TYR 76 far 0 87 0 - 9.7-25.2 Violated in 0 structures by 0.00 A. Peak 11134 from cnoeabs.peaks (1.04, 4.31, 59.97 ppm; 5.74 A): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 133 + HA TYR 76 OK 95 100 95 100 5.5-6.6 10555/4.7=81...(9) QG1 VAL 77 + HA TYR 76 OK 85 85 100 100 4.9-5.3 7043/3.6=83, 9611/3.0=77...(22) 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 - 9.2-10.1 HB3 ASN 85 - HA TYR 76 far 0 97 0 - 9.4-10.3 Violated in 20 structures by 3.77 A. Peak 11137 from cnoeabs.peaks (4.39, 3.13, 40.72 ppm; 5.49 A): 1 out of 4 assignments used, quality = 0.99: HA CYS 73 + HB3 TYR 76 OK 99 99 100 100 3.1-4.6 11146/2.6=82...(16) HA ASP 78 - HB3 TYR 76 far 0 99 0 - 7.6-8.4 HA ASP 71 - HB3 TYR 76 far 0 73 0 - 7.7-8.1 HA SER 33 - HB3 TYR 76 far 0 100 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 11138 from cnoeabs.peaks (1.13, 2.77, 40.87 ppm; 4.34 A): 1 out of 7 assignments used, quality = 0.99: QG2 VAL 132 + HB2 ASP 131 OK 99 99 100 100 4.0-4.2 10518/1.8=84...(18) QG1 VAL 132 - HB2 ASP 131 far 0 100 0 - 6.2-6.3 HG2 LYS 39 - HB2 TYR 76 far 0 77 0 - 7.2-9.8 HG3 LYS 39 - HB2 TYR 76 far 0 46 0 - 7.6-8.7 QG1 VAL 132 - HB2 TYR 76 far 0 78 0 - 7.7-8.8 QG2 VAL 132 - HB2 TYR 76 far 0 74 0 - 8.1-9.3 HG3 LYS 39 - HB2 ASP 131 far 0 68 0 - 9.6-10.7 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 5.6-6.2 11166/3.0=85...(8) Violated in 2 structures by 0.01 A. Peak 11142 from cnoeabs.peaks (7.32, 2.76, 40.72 ppm; 6.49 A): 2 out of 4 assignments used, quality = 0.93: HZ PHE 89 + HB2 TYR 76 OK 83 83 100 100 2.6-4.3 11139/7028=90...(13) H ARG 135 + HB2 ASP 131 OK 60 69 95 92 6.5-7.1 10624/10528=71...(4) HE ARG 90 - HB2 TYR 76 far 0 71 0 - 8.2-10.0 HZ PHE 89 - HB2 ASP 131 far 0 57 0 - 9.9-10.8 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 1 assignment used, quality = 0.98: HZ PHE 89 + HB3 TYR 76 OK 98 98 100 100 2.8-4.7 11165/1.8=97...(11) 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 4.4-4.7 11145/2.1=72...(24) QE TYR 76 + QG2 VAL 77 OK 73 73 100 100 5.4-5.8 ~11145=53, ~11171=52...(19) Violated in 0 structures by 0.00 A. Peak 11145 from cnoeabs.peaks (6.49, 1.06, 19.25 ppm; 5.59 A increased from 5.26 A): 1 out of 2 assignments used, quality = 0.97: QD TYR 76 + QG1 VAL 77 OK 97 97 100 100 5.0-5.4 11169/2.1=94...(20) QE TYR 76 - QG1 VAL 77 far 0 85 0 - 6.5-6.8 Violated in 0 structures by 0.00 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 3.4-3.8 2.2/9677=84, 9673/2.1=62...(25) 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 2.3-4.3 11842=97, 11841/2.1=87...(18) QD PHE 87 - QG1 VAL 77 far 0 73 0 - 7.4-8.4 Violated in 0 structures by 0.00 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 4.3-4.8 2.6/11729=96...(23) 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 4.2-4.7 3.6/11188=100...(15) 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 4 assignments used, quality = 1.00: HB3 ARG 90 + QG1 VAL 77 OK 100 100 100 100 4.5-5.0 2.9/9651=88, 2.9/9652=84...(26) HB3 LYS 86 + QG1 VAL 77 OK 25 98 25 100 5.0-6.1 9823/2.1=88, 3.0/9650=85...(29) HB2 MET 11 - QG1 VAL 77 far 0 76 0 - 6.0-31.8 HB ILE 37 - QG1 VAL 77 far 0 78 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. Peak 11153 from cnoeabs.peaks (1.65, 1.06, 19.25 ppm; 4.12 A): 2 out of 11 assignments used, quality = 1.00: HD2 LYS 86 + QG1 VAL 77 OK 99 99 100 100 2.9-3.7 11336=68, 3.0/9650=64...(36) HD3 LYS 86 + QG1 VAL 77 OK 59 99 60 100 4.1-5.0 3.0/9650=64, 3.0/9650=64...(35) HD3 LYS 19 - QG1 VAL 77 far 5 100 5 - 4.5-29.1 HD2 LYS 19 - QG1 VAL 77 far 0 100 0 - 5.5-29.1 HG3 ARG 23 - QG1 VAL 77 far 0 68 0 - 6.8-20.2 HD3 LYS 24 - QG1 VAL 77 far 0 99 0 - 7.7-19.3 QB ALA 88 - QG1 VAL 77 far 0 98 0 - 7.8-8.1 HD2 LYS 24 - QG1 VAL 77 far 0 98 0 - 8.5-20.6 HB2 LEU 69 - QG1 VAL 77 far 0 89 0 - 9.3-9.8 HD3 LYS 95 - QG1 VAL 77 far 0 99 0 - 9.4-12.7 HD3 LYS 26 - QG1 VAL 77 far 0 99 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 11154 from cnoeabs.peaks (4.30, 1.06, 19.25 ppm; 4.15 A): 2 out of 11 assignments used, quality = 1.00: HA SER 74 + QG1 VAL 77 OK 99 99 100 100 2.4-3.3 9592=98, 11195/2.1=79...(18) HA2 GLY 75 + QG1 VAL 77 OK 75 81 100 93 4.0-4.6 3.5/9611=47, 4.9/9592=39...(10) HA ALA 21 - QG1 VAL 77 far 5 99 5 - 4.5-23.0 HA TYR 76 - QG1 VAL 77 far 0 92 0 - 4.9-5.3 HA THR 18 - QG1 VAL 77 far 0 100 0 - 6.4-26.4 HA ALA 16 - QG1 VAL 77 far 0 81 0 - 6.4-30.8 HA ALA 15 - QG1 VAL 77 far 0 96 0 - 7.3-31.2 HA ALA 12 - QG1 VAL 77 far 0 96 0 - 7.5-29.3 HA ARG 23 - QG1 VAL 77 far 0 97 0 - 7.7-19.2 HA THR 25 - QG1 VAL 77 far 0 99 0 - 7.9-15.0 HA LEU 22 - QG1 VAL 77 far 0 60 0 - 8.1-20.9 Violated in 0 structures by 0.00 A. Peak 11155 from cnoeabs.peaks (4.37, 1.06, 19.25 ppm; 4.12 A): 1 out of 2 assignments used, quality = 0.97: HA ASP 78 + QG1 VAL 77 OK 97 97 100 100 2.7-2.9 9695=95, 2.9/7052=82...(21) HA CYS 73 - QG1 VAL 77 far 0 97 0 - 4.8-5.5 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 = 0.90: HE2 LYS 86 + QG2 VAL 77 OK 90 90 100 100 1.8-4.0 1.8/9660=89, 11875=85...(20) Violated in 0 structures by 0.00 A. Peak 11157 from cnoeabs.peaks (3.89, 1.18, 22.07 ppm; 4.11 A): 1 out of 4 assignments used, quality = 1.00: HA LYS 86 + QG2 VAL 77 OK 100 100 100 100 2.0-2.4 9818=96, 3.0/9663=69...(24) HB2 SER 94 - QG2 VAL 77 far 0 90 0 - 6.2-7.5 HA3 GLY 75 - QG2 VAL 77 far 0 89 0 - 7.2-7.5 HA LEU 70 - QG2 VAL 77 far 0 100 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 11158 from cnoeabs.peaks (1.17, 4.38, 55.75 ppm; 5.55 A): 1 out of 3 assignments used, quality = 0.98: QG2 VAL 77 + HA ASP 78 OK 98 98 100 100 4.1-4.5 2.1/9695=99, 7053/2.9=92...(22) QG2 THR 18 - HA ASP 78 far 0 100 0 - 7.0-26.3 QG2 THR 25 - HA ASP 78 far 0 92 0 - 8.1-16.2 Violated in 0 structures by 0.00 A. Peak 11159 from cnoeabs.peaks (1.19, 2.51, 39.87 ppm; 6.80 A): 1 out of 5 assignments used, quality = 0.99: QG2 VAL 77 + HB2 ASP 78 OK 99 99 100 100 5.4-5.9 2.1/9692=100...(18) QG2 THR 25 - HB2 ASP 78 far 5 100 5 - 6.1-14.0 QG2 THR 18 - HB2 ASP 78 far 0 87 0 - 7.8-25.1 HG12 ILE 80 - HB2 ASP 78 far 0 78 0 - 9.1-9.4 HG12 ILE 32 - HB2 ASP 78 far 0 65 0 - 9.1-13.4 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 9 assignments used, quality = 1.00: QG2 VAL 77 + HB3 ASP 78 OK 100 100 100 100 5.0-5.4 2.1/9693=100...(22) HG12 ILE 32 + HB3 ASP 35 OK 30 34 100 86 5.1-6.9 2.1/10846=62, ~10807=31...(6) QG2 THR 25 - HB3 ASP 78 far 5 100 5 - 6.2-14.7 QG2 THR 25 - HB3 ASP 35 far 3 56 5 - 5.6-11.4 QG2 THR 18 - HB3 ASP 78 far 0 92 0 - 7.5-25.0 QB ALA 41 - HB3 ASP 35 far 0 45 0 - 8.9-10.0 QG2 THR 18 - HB3 ASP 35 far 0 47 0 - 9.3-23.4 HG12 ILE 80 - HB3 ASP 78 far 0 71 0 - 9.5-9.7 HG12 ILE 32 - HB3 ASP 78 far 0 73 0 - 10.0-14.6 Violated in 0 structures by 0.00 A. Peak 11161 from cnoeabs.peaks (2.05, 2.74, 39.87 ppm; 5.49 A): 1 out of 8 assignments used, quality = 0.48: HB VAL 63 + HB2 ASP 64 OK 48 48 100 100 4.5-5.0 ~10969=67, ~10988=67...(16) HG2 PRO 58 - HB2 ASP 64 far 0 59 0 - 7.0-8.1 HG2 ARG 90 - HB3 ASP 78 far 0 68 0 - 7.0-7.7 HB2 LEU 62 - HB2 ASP 64 far 0 80 0 - 7.2-8.7 HG3 PRO 58 - HB2 ASP 64 far 0 57 0 - 8.3-9.5 HB3 GLN 27 - HB3 ASP 35 far 0 50 0 - 8.7-11.3 HB3 MET 11 - HB3 ASP 78 far 0 68 0 - 9.2-37.1 QE MET 11 - HB3 ASP 78 far 0 99 0 - 9.5-32.0 Violated in 0 structures by 0.00 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 4.1-4.3 9734=95, 7066/3.6=92...(5) Violated in 0 structures by 0.00 A. Peak 11164 from cnoeabs.peaks (2.33, 4.38, 55.75 ppm; 5.61 A increased from 5.28 A): 1 out of 1 assignment used, quality = 0.99: HB VAL 77 + HA ASP 78 OK 99 99 100 100 5.4-5.5 2.1/9695=100...(24) Violated in 0 structures by 0.00 A. Peak 11165 from cnoeabs.peaks (2.36, 2.51, 39.87 ppm; 5.93 A increased from 5.58 A): 1 out of 3 assignments used, quality = 0.73: HB VAL 77 + HB2 ASP 78 OK 73 73 100 100 5.8-5.8 2.1/9692=97, 4.5/7055=91...(20) HG3 GLN 27 - HB2 ASP 78 far 0 100 0 - 8.5-17.7 HG2 GLN 27 - HB2 ASP 78 far 0 99 0 - 9.1-16.4 Violated in 0 structures by 0.00 A. Peak 11166 from cnoeabs.peaks (1.74, 2.61, 27.19 ppm; 5.71 A increased from 5.08 A): 1 out of 6 assignments used, quality = 1.00: HB ILE 80 + HB3 CYS 79 OK 100 100 100 100 5.6-5.7 7073/4.4=87...(15) HB2 LYS 19 - HB3 CYS 79 far 0 97 0 - 7.4-32.0 HB2 LYS 39 - HB3 CYS 79 far 0 78 0 - 8.0-10.5 HB2 ARG 23 - HB3 CYS 79 far 0 90 0 - 9.0-23.7 HB2 LYS 24 - HB3 CYS 79 far 0 99 0 - 9.4-20.9 HD3 LYS 39 - HB3 CYS 79 far 0 68 0 - 9.7-12.2 Violated in 2 structures by 0.00 A. Peak 11167 from cnoeabs.peaks (1.48, 1.74, 38.49 ppm; 5.40 A): 1 out of 1 assignment used, quality = 0.99: HG3 LYS 86 + HB ILE 80 OK 99 99 100 100 2.3-5.2 1.8/9713=87...(39) Violated in 0 structures by 0.00 A. Peak 11168 from cnoeabs.peaks (2.00, 4.12, 58.67 ppm; 4.54 A): 1 out of 6 assignments used, quality = 1.00: HG2 PRO 81 + HA ILE 80 OK 100 100 100 100 4.2-4.5 2.3/2478=87...(22) HG2 PRO 81 - HA CYS 79 far 0 57 0 - 7.4-8.7 HG3 ARG 135 - HA ILE 80 far 0 60 0 - 8.2-9.4 HG2 ARG 90 - HA ILE 80 far 0 85 0 - 8.6-9.2 HB VAL 20 - HA CYS 79 far 0 58 0 - 8.7-27.7 HG2 ARG 90 - HA CYS 79 far 0 43 0 - 9.9-10.4 Violated in 0 structures by 0.00 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: HD2 LYS 86 + QD1 ILE 80 OK 98 98 100 100 4.3-5.1 3.0/9720=75...(45) HD3 LYS 86 + QD1 ILE 80 OK 83 98 85 100 4.9-5.3 3.0/9720=75...(45) QB ALA 88 + QD1 ILE 80 OK 24 97 25 99 5.1-5.4 7195/9869=53...(18) HG2 ARG 84 - QD1 ILE 80 far 0 95 0 - 6.6-9.0 HG LEU 43 - QD1 ILE 80 far 0 99 0 - 7.3-7.7 HG3 ARG 84 - QD1 ILE 80 far 0 95 0 - 8.0-9.4 HD2 LYS 39 - QD1 ILE 80 far 0 63 0 - 8.5-9.2 HD3 LYS 19 - QD1 ILE 80 far 0 100 0 - 8.7-32.7 HB2 LEU 69 - QD1 ILE 80 far 0 85 0 - 9.0-9.6 HD2 LYS 19 - QD1 ILE 80 far 0 100 0 - 9.8-32.8 HG3 ARG 23 - QD1 ILE 80 far 0 73 0 - 10.0-23.9 Violated in 0 structures by 0.00 A. Peak 11170 from cnoeabs.peaks (3.44, 0.82, 27.07 ppm; 6.12 A): 1 out of 2 assignments used, quality = 0.96: HA VAL 77 + HG13 ILE 80 OK 96 96 100 100 2.8-3.8 9725/2.1=100...(42) HA ILE 129 - HG13 ILE 80 far 0 68 0 - 7.9-8.4 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 10 assignments used, quality = 0.98: HD2 PRO 81 + QG2 ILE 80 OK 90 90 100 100 2.0-3.0 4.0=92, 2478/3.2=50...(29) HA LYS 86 + QG2 ILE 80 OK 83 83 100 100 2.5-3.3 9819=73, 3.0/11240=65...(29) HA LEU 70 - QG2 ILE 129 far 0 60 0 - 5.4-6.4 HA ALA 46 - QG2 ILE 129 far 0 36 0 - 5.5-6.2 HA LYS 86 - QG2 ILE 129 far 0 51 0 - 6.0-6.7 HD2 PRO 81 - QG2 ILE 129 far 0 57 0 - 7.5-8.3 HB2 SER 50 - QG2 ILE 129 far 0 33 0 - 8.4-10.0 HB3 SER 50 - QG2 ILE 129 far 0 49 0 - 8.6-10.3 HA LEU 123 - QG2 ILE 129 far 0 51 0 - 8.6-9.0 HA GLU 40 - QG2 ILE 129 far 0 40 0 - 9.2-10.0 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 6 assignments used, quality = 1.00: HB3 ASN 85 + QG2 ILE 80 OK 100 100 100 100 1.9-3.6 1.8/11237=86, 9793=72...(19) HB3 ASN 85 - QG2 ILE 129 far 0 69 0 - 6.1-7.5 HB2 ASN 13 - QG2 ILE 80 far 0 100 0 - 7.5-35.0 HB3 ASP 71 - QG2 ILE 129 far 0 69 0 - 8.7-9.7 HB3 ASP 47 - QG2 ILE 129 far 0 45 0 - 8.9-10.3 HB2 ASN 13 - QG2 ILE 129 far 0 69 0 - 9.4-35.3 Violated in 0 structures by 0.00 A. Peak 11173 from cnoeabs.peaks (2.69, 0.81, 17.22 ppm; 4.13 A): 1 out of 2 assignments used, quality = 0.98: HB2 ASN 85 + QG2 ILE 80 OK 98 98 100 100 2.6-3.9 9791=97, 1.8/11236=92...(21) HB2 ASN 85 - QG2 ILE 129 far 0 65 0 - 5.9-8.3 Violated in 0 structures by 0.00 A. Peak 11174 from cnoeabs.peaks (1.94, 0.81, 17.22 ppm; 4.92 A): 2 out of 11 assignments used, quality = 1.00: HB3 PRO 81 + QG2 ILE 80 OK 99 99 100 100 4.1-4.8 1.8/11281=77...(33) HB3 LYS 86 + QG2 ILE 80 OK 87 87 100 100 2.6-3.7 1.8/9821=88, 3.0/9819=81...(39) HB2 ARG 90 - QG2 ILE 129 far 0 44 0 - 6.3-7.4 HB3 ARG 90 - QG2 ILE 129 far 0 60 0 - 6.5-7.4 HB2 ARG 90 - QG2 ILE 80 far 0 73 0 - 6.8-8.0 HB2 LYS 95 - QG2 ILE 129 far 0 70 0 - 7.0-7.7 HB3 LYS 95 - QG2 ILE 129 far 0 69 0 - 8.0-9.1 HB3 ARG 90 - QG2 ILE 80 far 0 93 0 - 8.3-9.0 HB3 LYS 86 - QG2 ILE 129 far 0 54 0 - 8.4-9.1 HB3 LEU 49 - QG2 ILE 129 far 0 49 0 - 8.4-9.5 HB2 MET 11 - QG2 ILE 129 far 0 60 0 - 9.3-35.9 Violated in 0 structures by 0.00 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 100 100 100 100 3.6-5.0 3.5/11240=73...(47) HD3 LYS 86 + QG2 ILE 80 OK 100 100 100 100 3.9-4.5 3.5/11240=73...(48) HB2 LEU 69 + QG2 ILE 129 OK 61 68 90 99 4.4-5.5 11712/4163=58, 11034=33...(17) HG2 ARG 84 - QG2 ILE 80 far 3 65 5 - 5.0-7.2 QB ALA 88 - QG2 ILE 129 far 0 69 0 - 5.3-6.3 QB ALA 88 - QG2 ILE 80 far 0 100 0 - 5.5-6.3 HG LEU 43 - QG2 ILE 129 far 0 49 0 - 6.0-7.5 HG3 ARG 84 - QG2 ILE 80 far 0 65 0 - 6.1-7.5 HD3 LYS 19 - QG2 ILE 80 far 0 92 0 - 6.4-32.6 HD2 LYS 19 - QG2 ILE 80 far 0 92 0 - 7.3-32.6 HD2 LYS 95 - QG2 ILE 129 far 0 64 0 - 7.5-10.0 HD3 LYS 95 - QG2 ILE 129 far 0 68 0 - 7.9-9.8 HD2 LYS 39 - QG2 ILE 80 far 0 93 0 - 8.1-9.8 HG LEU 43 - QG2 ILE 80 far 0 81 0 - 8.7-9.8 HD2 LYS 86 - QG2 ILE 129 far 0 68 0 - 8.9-9.6 HD2 LYS 39 - QG2 ILE 129 far 0 60 0 - 9.0-10.2 HD3 LYS 86 - QG2 ILE 129 far 0 68 0 - 9.5-10.1 HG2 ARG 84 - QG2 ILE 129 far 0 38 0 - 9.6-12.9 HD2 LYS 24 - QG2 ILE 80 far 0 100 0 - 9.6-25.3 Violated in 0 structures by 0.00 A. Peak 11176 from cnoeabs.peaks (1.40, 0.81, 17.22 ppm; 4.70 A): 2 out of 16 assignments used, quality = 0.94: HG2 LYS 86 + QG2 ILE 80 OK 90 90 100 100 2.6-4.5 3.0/11240=85...(32) QB ALA 92 + QG2 ILE 129 OK 42 42 100 100 2.9-3.9 10491/4163=68, 9946=56...(28) QB ALA 15 - QG2 ILE 80 far 4 78 5 - 5.0-28.9 HB2 LEU 42 - QG2 ILE 129 far 0 40 0 - 5.3-6.2 HB2 LEU 96 - QG2 ILE 129 far 0 44 0 - 5.6-6.2 HG LEU 96 - QG2 ILE 129 far 0 67 0 - 5.9-6.7 HG3 LYS 95 - QG2 ILE 129 far 0 52 0 - 6.9-10.1 HG2 LYS 86 - QG2 ILE 129 far 0 57 0 - 7.0-7.7 QB ALA 15 - QG2 ILE 129 far 0 47 0 - 7.0-30.0 HG2 LYS 95 - QG2 ILE 129 far 0 55 0 - 7.4-9.9 QB ALA 34 - QG2 ILE 80 far 0 93 0 - 7.8-9.6 QB ALA 92 - QG2 ILE 80 far 0 71 0 - 8.1-9.1 QB ALA 16 - QG2 ILE 80 far 0 100 0 - 8.3-30.3 HB2 LEU 42 - QG2 ILE 80 far 0 68 0 - 8.4-9.3 QB ALA 34 - QG2 ILE 129 far 0 60 0 - 9.0-10.6 QB ALA 16 - QG2 ILE 129 far 0 70 0 - 9.7-32.1 Violated in 0 structures by 0.00 A. Peak 11177 from cnoeabs.peaks (4.05, 0.81, 17.22 ppm; 4.84 A): 1 out of 9 assignments used, quality = 0.96: HD3 PRO 81 + QG2 ILE 80 OK 96 96 100 100 3.3-4.1 4.0=100 HA ALA 92 - QG2 ILE 129 far 0 69 0 - 5.5-6.5 HA LEU 96 - QG2 ILE 129 far 0 66 0 - 7.3-7.8 HB2 SER 74 - QG2 ILE 129 far 0 54 0 - 7.3-8.2 HB3 SER 74 - QG2 ILE 129 far 0 52 0 - 7.3-8.4 HA LEU 122 - QG2 ILE 129 far 0 70 0 - 7.8-8.4 HD3 PRO 81 - QG2 ILE 129 far 0 62 0 - 8.3-9.3 HA GLU 44 - QG2 ILE 129 far 0 69 0 - 9.2-10.3 HA ILE 37 - QG2 ILE 129 far 0 35 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 11178 from cnoeabs.peaks (4.04, 0.27, 13.24 ppm; 5.74 A increased from 5.41 A): 1 out of 7 assignments used, quality = 1.00: HD3 PRO 81 + QD1 ILE 80 OK 100 100 100 100 4.6-5.5 3.8/2472=91, 4.8/7077=77...(30) HB2 SER 74 - QD1 ILE 80 far 0 60 0 - 8.0-8.7 HB3 SER 74 - QD1 ILE 80 far 0 57 0 - 8.0-8.6 HA ARG 135 - QD1 ILE 80 far 0 81 0 - 8.1-8.8 HA ALA 92 - QD1 ILE 80 far 0 98 0 - 8.9-9.4 HA ILE 37 - QD1 ILE 80 far 0 87 0 - 9.5-10.0 HB2 SER 38 - QD1 ILE 80 far 0 73 0 - 9.9-10.6 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 4 assignments used, quality = 0.88: QB ALA 46 + QG2 ILE 129 OK 88 92 100 95 3.7-4.3 9177/10486=60...(13) QB ALA 21 - QG2 ILE 80 far 0 58 0 - 5.5-23.4 QB ALA 46 - QG2 ILE 80 far 0 58 0 - 9.2-10.1 QB ALA 21 - QG2 ILE 129 far 0 92 0 - 9.8-25.6 Violated in 2 structures by 0.00 A. Peak 11180 from cnoeabs.peaks (7.87, 0.82, 16.92 ppm; 5.73 A): 2 out of 5 assignments used, quality = 0.97: H GLU 128 + QG2 ILE 129 OK 92 92 100 100 5.5-5.8 4.2/7870=84, 10441=78...(9) H ALA 88 + QG2 ILE 80 OK 58 62 95 99 5.6-6.4 7170/9831=64...(12) H ALA 88 - QG2 ILE 129 far 0 96 0 - 7.0-7.9 H ALA 41 - QG2 ILE 129 far 0 81 0 - 9.4-10.4 H GLN 68 - QG2 ILE 129 far 0 99 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 11181 from cnoeabs.peaks (8.13, 0.27, 13.24 ppm; 5.46 A): 2 out of 3 assignments used, quality = 1.00: H VAL 133 + QD1 ILE 80 OK 96 96 100 100 4.8-5.1 3.0/9726=91...(19) H PHE 87 + QD1 ILE 80 OK 89 89 100 100 4.9-5.2 3.6/9727=90, 4.6/9721=66...(14) H GLU 91 - QD1 ILE 80 far 0 99 0 - 6.2-6.8 Violated in 0 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 3.4-3.9 2.9/9727=98, 9813/3.1=89...(23) H TYR 72 - QD1 ILE 80 far 0 68 0 - 8.9-9.2 H GLY 14 - QD1 ILE 80 far 0 87 0 - 9.7-34.5 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 2 assignments used, quality = 0.99: H ARG 90 + QD1 ILE 80 OK 99 99 100 100 4.2-4.8 11865/9649=69...(17) H ALA 46 - QD1 ILE 80 far 0 78 0 - 9.7-10.3 Violated in 0 structures by 0.00 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 3.9-4.2 4.2/9747=71...(17) H LYS 39 - QD1 ILE 80 far 0 68 0 - 7.3-8.0 Violated in 0 structures by 0.00 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 3.3-4.1 4.0=100 HG13 ILE 80 + HD3 PRO 81 OK 95 96 100 99 3.1-4.3 2.1/11178=42, ~11248=38...(27) QG1 VAL 133 + HD3 PRO 81 OK 52 71 90 82 3.7-5.2 ~11757=48, 10253/1.8=21...(8) QG2 ILE 129 - HD3 PRO 81 far 0 97 0 - 8.3-9.3 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 7 assignments used, quality = 1.00: QG2 ILE 80 + HD2 PRO 81 OK 100 100 100 100 2.0-3.0 4.0=100 HG13 ILE 80 + HD2 PRO 81 OK 95 96 100 99 2.3-3.5 4.1/2478=53...(30) QG1 VAL 133 + HD2 PRO 81 OK 46 71 85 76 3.6-5.1 2.1/11757=43...(9) QD2 LEU 119 - HD2 PRO 117 far 0 84 0 - 7.2-7.4 QG2 ILE 129 - HD2 PRO 81 far 0 97 0 - 7.5-8.3 QD2 LEU 122 - HD2 PRO 117 far 0 58 0 - 8.5-10.7 QD1 LEU 122 - HD2 PRO 117 far 0 89 0 - 9.7-11.4 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 3.9-4.7 11190/1.8=88...(5) H VAL 77 - HD3 PRO 81 far 0 99 0 - 8.0-8.4 Violated in 0 structures by 0.00 A. Peak 11190 from cnoeabs.peaks (7.54, 3.85, 51.18 ppm; 5.08 A): 1 out of 3 assignments used, quality = 0.87: H GLN 82 + HD2 PRO 81 OK 87 89 100 98 2.7-4.2 11914/2.3=66...(6) H LEU 119 - HD2 PRO 117 far 0 90 0 - 5.8-5.9 H VAL 77 - HD2 PRO 81 far 0 100 0 - 7.7-8.1 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 3 assignments used, quality = 1.00: * HB3 PRO 81 + HD3 PRO 81 OK 100 100 100 100 3.9-3.9 3.0=100 HB ILE 37 - HD3 PRO 81 far 0 78 0 - 7.5-9.1 HB3 LYS 86 - HD3 PRO 81 far 0 98 0 - 7.6-9.3 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 3.0-3.0 3.0=100 HB VAL 132 - HD3 PRO 81 far 0 71 0 - 7.8-9.4 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 3 assignments used, quality = 1.00: * HB3 PRO 81 + HD2 PRO 81 OK 100 100 100 100 4.0-4.0 3.0=100 HB3 LYS 86 - HD2 PRO 81 far 0 98 0 - 6.1-8.3 HB ILE 37 - HD2 PRO 81 far 0 78 0 - 8.4-9.9 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 3 assignments used, quality = 1.00: * HB2 PRO 81 + HD2 PRO 81 OK 100 100 100 100 3.9-3.9 3.0=100 HB VAL 132 - HD2 PRO 81 far 0 71 0 - 6.5-7.7 HB3 GLU 102 - HD2 PRO 117 far 0 56 0 - 7.8-10.5 Violated in 0 structures by 0.00 A. Peak 11195 from cnoeabs.peaks (0.83, 2.05, 27.30 ppm; 5.13 A): 3 out of 13 assignments used, quality = 1.00: QG2 ILE 80 + HG3 PRO 81 OK 94 94 100 100 2.9-4.9 11281/2.3=73...(26) QG1 VAL 133 + HG3 PRO 81 OK 93 97 100 95 4.3-4.8 ~11757=59, 10574=53...(11) HG13 ILE 80 + HG3 PRO 81 OK 90 100 90 100 4.7-5.9 ~11248=50, 4.1/11784=47...(26) QG2 ILE 80 - HG3 ARG 135 poor 13 57 40 56 5.4-7.1 11172/11785=39...(3) QD2 LEU 119 - HG3 PRO 113 far 3 51 5 - 5.7-8.2 QG1 VAL 133 - HG3 ARG 135 far 0 61 0 - 5.7-6.7 HG13 ILE 80 - HG3 ARG 135 far 0 65 0 - 6.9-8.2 QG2 ILE 129 - HG3 ARG 135 far 0 64 0 - 7.4-8.6 QD2 LEU 119 - HG2 PRO 117 far 0 67 0 - 7.6-7.9 QD1 LEU 122 - HG2 PRO 117 far 0 82 0 - 7.8-9.9 QD2 LEU 119 - HG3 PRO 117 far 0 68 0 - 8.5-8.7 QG2 ILE 129 - HG3 PRO 81 far 0 100 0 - 8.8-10.1 QD1 LEU 122 - HG3 PRO 117 far 0 83 0 - 9.2-11.3 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 3 assignments used, quality = 0.95: * HA GLN 82 + HG3 GLN 82 OK 86 100 100 86 2.0-3.6 4.1=55, 11299/1.8=32...(9) HA GLN 82 + HG2 GLN 82 OK 66 94 80 88 2.2-4.2 4.1=55, 11299/1.8=39...(11) HA VAL 57 - HG2 GLU 55 far 0 63 0 - 6.3-8.2 Violated in 4 structures by 0.01 A. Peak 11211 from cnoeabs.peaks (4.60, 2.20, 28.77 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 82 + HB2 GLN 82 OK 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 11213 from cnoeabs.peaks (4.60, 2.09, 28.77 ppm; 4.92 A): 3 out of 3 assignments used, quality = 1.00: * HA GLN 82 + HB3 GLN 82 OK 100 100 100 100 2.3-2.9 3.0=100 HA VAL 57 + HB3 GLN 61 OK 80 80 100 100 4.2-4.9 3.2/9378=61, ~9377=41...(30) HA VAL 57 + HB2 GLN 61 OK 73 85 85 100 4.8-5.9 ~9378=53, ~9378=53...(31) Violated in 0 structures by 0.00 A. Peak 11214 from cnoeabs.peaks (2.43, 2.20, 28.77 ppm; 3.59 A): 3 out of 4 assignments used, quality = 1.00: HG2 GLN 82 + HB2 GLN 82 OK 97 97 100 100 2.2-2.8 2.9=100 HG3 GLN 82 + HB2 GLN 82 OK 83 83 100 100 2.2-3.0 2.9=100 HG3 GLU 97 + HB3 GLU 97 OK 73 73 100 100 2.6-3.0 2.9=100 HG2 GLN 101 - HB3 GLU 97 far 4 75 5 - 3.6-8.7 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 2.6-3.0 2.9=100 HG3 GLN 82 + HB3 GLN 82 OK 83 83 100 100 2.6-3.0 2.9=100 HG3 GLN 61 + HB2 GLN 61 OK 74 74 100 100 2.7-3.0 3.0=100 HG3 GLN 61 + HB3 GLN 61 OK 68 68 100 100 2.3-2.9 3.0=100 HG3 GLU 128 + HB2 GLU 128 OK 51 51 100 100 2.3-3.0 3.0=100 HG2 GLN 101 + HB2 GLU 102 OK 38 79 75 63 3.2-6.2 7450/7455=44, 11309=9...(7) HB3 PRO 58 - HB3 GLN 61 far 0 65 0 - 4.6-5.0 HB3 PRO 58 - HB2 GLN 61 far 0 70 0 - 4.9-5.7 HG3 GLU 97 - HB2 GLU 102 far 0 77 0 - 9.1-11.0 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 3 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 - 8.6-10.4 HG3 GLN 134 - HB2 GLN 82 far 0 92 0 - 9.9-13.3 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 13 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 0 32 0 - 4.8-5.9 HB2 GLN 101 - HB2 GLU 102 far 0 81 0 - 5.1-6.5 HG2 GLU 91 - HB2 GLU 128 far 0 31 0 - 7.0-10.4 HB VAL 133 - HB3 GLN 82 far 0 96 0 - 8.3-11.6 HB3 GLN 104 - HB2 GLU 102 far 0 61 0 - 8.3-9.4 HB3 GLU 97 - HB2 GLU 102 far 0 71 0 - 8.6-10.4 HB2 GLN 104 - HB2 GLU 102 far 0 72 0 - 8.7-9.6 HB VAL 133 - HB2 GLU 128 far 0 47 0 - 9.0-10.6 HB3 GLN 104 - HB3 GLN 61 far 0 61 0 - 9.2-10.3 HB3 GLN 104 - HB2 GLN 61 far 0 66 0 - 9.6-10.7 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 = 0.91: * H THR 83 + HG3 GLN 82 OK 79 100 100 79 3.3-4.9 3.6/11210=39...(7) H THR 83 + HG2 GLN 82 OK 59 94 85 74 3.1-5.4 3.6/11299=31...(7) Violated in 3 structures by 0.02 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 3.7-4.6 4.5=100 H ASN 59 + HB3 GLN 61 OK 61 75 100 81 5.2-5.3 6748/4.0=45, 6722/4.6=28...(8) H ASN 59 - HB2 GLN 61 far 4 81 5 - 6.2-6.9 H GLY 66 - HB3 GLN 61 far 0 63 0 - 7.7-8.4 H GLY 66 - HB2 GLN 61 far 0 68 0 - 8.3-8.8 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 2 assignments used, quality = 1.00: * H THR 83 + HB2 GLN 82 OK 100 100 100 100 3.0-4.1 4.5=100 H GLY 66 - HB3 GLU 97 far 0 59 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 11226 from cnoeabs.peaks (7.25, 2.45, 33.62 ppm; 4.11 A increased from 3.87 A): 4 out of 8 assignments used, quality = 0.99: HD21 ASN 85 + HG2 GLN 82 OK 92 92 100 100 2.4-4.4 9798/2.9=60, 9797/2.9=54...(23) H ASN 85 + HG2 GLN 82 OK 70 81 95 91 3.0-4.7 11276/2.9=35...(13) HD21 ASN 85 + HG3 GLN 82 OK 70 99 70 100 2.5-5.2 9798/2.9=60, 9797/2.9=54...(22) H ASN 85 + HG3 GLN 82 OK 23 90 30 86 3.0-5.4 11276/2.9=35...(12) HE ARG 84 - HG2 GLN 82 far 0 94 0 - 4.8-7.9 HE ARG 84 - HG3 GLN 82 far 0 100 0 - 6.0-8.7 QE PHE 87 - HG3 GLN 82 far 0 87 0 - 6.8-12.8 QE PHE 87 - HG2 GLN 82 far 0 77 0 - 6.9-12.1 Violated in 0 structures by 0.00 A. Peak 11227 from cnoeabs.peaks (7.55, 2.45, 33.62 ppm; 3.53 A): 2 out of 4 assignments used, quality = 0.68: H THR 54 + HG2 GLU 55 OK 48 64 90 84 3.1-5.6 6687/6694=39, 9268=32...(7) H GLN 82 + HG3 GLN 82 OK 39 100 45 87 1.8-5.2 5.1=33, 3.0/11210=33...(10) H GLN 82 - HG2 GLN 82 poor 19 94 20 - 3.3-5.1 HE22 GLN 61 - HG2 GLU 55 far 0 63 0 - 4.4-10.1 Violated in 2 structures by 0.04 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 4.3-5.4 9778/1.8=93...(8) 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 2.9-4.3 9778=96, 11198/1.8=87...(9) 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 3.7-5.1 9778/2.9=75...(12) H ARG 84 + HG2 GLN 82 OK 89 89 100 100 3.2-5.0 9778/2.9=75...(13) Violated in 0 structures by 0.00 A. Peak 11231 from cnoeabs.peaks (7.87, 2.09, 28.77 ppm; 4.41 A): 2 out of 5 assignments used, quality = 0.81: H GLU 102 + HB2 GLU 102 OK 68 68 100 100 2.6-3.4 3.8=100 H GLU 128 + HB2 GLU 128 OK 41 41 100 100 2.1-2.3 3.6=100 H GLN 104 - HB2 GLU 102 far 0 42 0 - 5.7-7.0 H ALA 88 - HB3 GLN 82 far 0 98 0 - 8.5-9.9 H ALA 88 - HB2 GLU 128 far 0 50 0 - 9.9-11.3 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 8 assignments used, quality = 0.99: HD22 ASN 85 + HB3 GLN 82 OK 97 97 100 100 2.3-4.8 9805=94, 1.7/9798=82...(18) H LEU 103 + HB2 GLU 102 OK 76 76 100 100 2.9-4.4 4.6=100 H ASN 121 - HB2 GLU 102 far 0 42 0 - 7.5-10.6 H PHE 87 - HB3 GLN 82 far 0 73 0 - 7.8-8.8 H ASN 120 - HB2 GLU 102 far 0 69 0 - 8.4-11.8 H ALA 109 - HB3 GLN 61 far 0 78 0 - 8.7-10.8 H ALA 108 - HB2 GLU 102 far 0 75 0 - 8.9-10.5 H ALA 109 - HB2 GLN 61 far 0 83 0 - 9.6-11.9 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 5 assignments used, quality = 0.99: H GLN 82 + HB3 GLN 82 OK 90 90 100 100 2.1-3.4 4.0=100 HE22 GLN 61 + HB2 GLN 61 OK 66 66 100 100 3.4-5.2 4.4=100 HE22 GLN 61 + HB3 GLN 61 OK 61 61 100 100 1.8-5.4 4.4=100 H LEU 119 - HB2 GLU 102 far 0 81 0 - 6.6-10.0 H THR 54 - HB3 GLN 61 far 0 77 0 - 9.4-10.8 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 6 assignments used, quality = 0.94: H ASN 85 + HB3 GLN 82 OK 94 96 100 98 3.8-4.7 11276=54, 11277/1.8=52...(10) H ARG 135 - HB3 GLN 82 far 0 63 0 - 5.6-9.2 HE ARG 84 - HB3 GLN 82 far 0 63 0 - 5.7-9.1 HD2 HIS 10 - HB2 GLU 128 far 0 42 0 - 5.9-46.1 QE PHE 87 - HB3 GLN 82 far 0 97 0 - 8.4-12.3 HZ PHE 89 - HB2 GLU 128 far 0 37 0 - 9.7-10.9 Violated in 4 structures by 0.04 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 100 100 100 100 2.3-3.1 11234/1.8=76, 11277=62...(15) HD21 ASN 85 + HB2 GLN 82 OK 73 73 100 100 2.0-4.9 1.7/11238=76, 9797=60...(19) HE ARG 84 - HB2 GLN 82 far 4 87 5 - 4.5-7.8 QE PHE 87 - HB2 GLN 82 far 0 100 0 - 6.8-10.9 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 1 assignment used, quality = 1.00: H GLN 82 + HB2 GLN 82 OK 100 100 100 100 3.2-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 11237 from cnoeabs.peaks (7.87, 2.20, 28.77 ppm; 4.24 A): 0 out of 4 assignments used, quality = 0.00: H GLU 102 - HB3 GLU 97 far 0 51 0 - 6.9-8.3 H ALA 88 - HB2 GLN 82 far 0 90 0 - 7.2-8.2 H GLN 68 - HB3 GLU 97 far 0 72 0 - 8.9-10.4 H GLN 104 - HB3 GLU 97 far 0 53 0 - 9.4-10.2 Violated in 20 structures by 2.24 A. Peak 11238 from cnoeabs.peaks (8.10, 2.20, 28.77 ppm; 4.69 A): 1 out of 3 assignments used, quality = 0.93: HD22 ASN 85 + HB2 GLN 82 OK 93 93 100 100 2.5-4.6 1.7/9797=82, 9805/1.8=73...(16) H PHE 87 - HB2 GLN 82 far 0 83 0 - 6.4-7.3 H LEU 103 - HB3 GLU 97 far 0 67 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 11239 from cnoeabs.peaks (8.09, 2.45, 33.62 ppm; 5.00 A increased from 4.21 A): 2 out of 2 assignments used, quality = 0.98: HD22 ASN 85 + HG2 GLN 82 OK 93 94 100 100 2.0-5.1 9805/2.9=75...(22) HD22 ASN 85 + HG3 GLN 82 OK 70 100 70 100 1.9-6.0 9805/2.9=75...(20) Violated in 0 structures by 0.00 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 3.6-4.1 7156/11312=71...(13) HD22 ASN 85 - QG2 THR 83 far 0 63 0 - 6.2-8.3 H GLU 91 - QG2 THR 83 far 0 92 0 - 8.3-9.0 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 5 assignments used, quality = 1.00: H LYS 86 + QG2 THR 83 OK 100 100 100 100 4.1-4.3 4.0/11312=68...(11) H GLY 17 - QG2 THR 83 far 0 87 0 - 5.9-33.4 H GLY 14 - QG2 THR 83 far 0 63 0 - 6.5-35.1 H ALA 21 - QG2 THR 83 far 0 57 0 - 7.0-28.3 H LYS 19 - QG2 THR 83 far 0 97 0 - 7.9-31.4 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 2 assignments used, quality = 0.97: HG3 GLN 82 + HA GLN 82 OK 90 99 100 90 2.0-3.6 4.1=64, 1.8/11210=33...(10) HG2 GLN 82 + HA GLN 82 OK 74 100 80 93 2.2-4.2 4.1=64, 1.8/11210=43...(11) 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 3 assignments used, quality = 1.00: HB2 GLN 82 + HA GLN 82 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 GLN 127 - HA HIS 3 far 0 27 0 - 9.4-67.6 HB3 GLU 102 - HA HIS 3 far 0 24 0 - 9.9-58.8 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 3 assignments used, quality = 1.00: HB3 GLN 82 + HA GLN 82 OK 100 100 100 100 2.3-2.9 3.0=100 HG3 GLN 134 - HA HIS 3 far 0 41 0 - 8.3-73.5 HB3 LYS 39 - HA HIS 3 far 0 39 0 - 9.3-72.6 Violated in 0 structures by 0.00 A. Peak 11252 from cnoeabs.peaks (6.96, 3.85, 51.18 ppm; 5.92 A): 2 out of 2 assignments used, quality = 1.00: H ILE 80 + HD2 PRO 81 OK 99 99 100 100 4.6-4.7 4.8=100 HE21 GLN 82 + HD2 PRO 81 OK 46 71 65 100 3.9-7.0 ~11247=79, ~11248=69...(10) Violated in 0 structures by 0.00 A. Peak 11262 from cnoeabs.peaks (0.82, 2.45, 33.62 ppm; 5.42 A increased from 4.33 A): 2 out of 12 assignments used, quality = 1.00: QG2 ILE 80 + HG3 GLN 82 OK 99 100 100 99 3.1-5.2 11263/2.9=85...(11) QG2 ILE 80 + HG2 GLN 82 OK 92 93 100 99 4.5-5.6 11263/2.9=85...(11) QD1 LEU 53 - HG2 GLU 55 poor 13 38 35 - 5.1-9.1 HG13 ILE 80 - HG3 GLN 82 far 5 100 5 - 5.8-9.3 QG1 VAL 133 - HG3 GLN 82 far 0 87 0 - 6.1-10.1 QD2 LEU 119 - HG2 GLU 55 far 0 50 0 - 7.0-10.1 QG1 VAL 133 - HG2 GLN 82 far 0 77 0 - 7.0-10.1 HG13 ILE 80 - HG2 GLN 82 far 0 93 0 - 7.5-9.4 QD2 LEU 49 - HG2 GLU 55 far 0 43 0 - 8.8-11.0 QD1 LEU 122 - HG2 GLU 55 far 0 58 0 - 9.0-12.7 QG2 ILE 129 - HG3 GLN 82 far 0 100 0 - 9.2-12.7 QG2 ILE 129 - HG2 GLN 82 far 0 94 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 11263 from cnoeabs.peaks (0.82, 2.09, 28.77 ppm; 4.34 A): 1 out of 19 assignments used, quality = 0.77: QG2 ILE 80 + HB3 GLN 82 OK 77 96 85 95 2.9-5.2 11261/4.0=52...(11) QD1 LEU 122 - HB2 GLU 102 far 0 63 0 - 5.3-8.7 QD2 LEU 119 - HB3 GLN 61 far 0 51 0 - 5.5-6.6 QG2 ILE 129 - HB2 GLU 128 far 0 53 0 - 5.5-6.3 QG1 VAL 133 - HB3 GLN 82 far 0 97 0 - 6.0-9.1 HG13 ILE 80 - HB3 GLN 82 far 0 100 0 - 6.1-9.1 QD2 LEU 119 - HB2 GLN 61 far 0 55 0 - 6.9-8.0 QD1 LEU 122 - HB2 GLU 128 far 0 39 0 - 7.5-10.1 QD1 LEU 122 - HB3 GLN 61 far 0 63 0 - 7.7-11.5 QD2 LEU 49 - HB3 GLN 61 far 0 42 0 - 7.8-8.4 QD2 LEU 119 - HB2 GLU 102 far 0 51 0 - 8.1-10.9 QD2 LEU 49 - HB2 GLU 128 far 0 26 0 - 8.3-8.7 QD2 LEU 49 - HB2 GLN 61 far 0 46 0 - 8.6-9.1 QD1 LEU 122 - HB2 GLN 61 far 0 68 0 - 8.7-12.3 QD2 LEU 49 - HB2 GLU 102 far 0 42 0 - 9.2-11.4 QG1 VAL 133 - HB2 GLU 128 far 0 48 0 - 9.3-10.7 QG2 ILE 129 - HB3 GLN 82 far 0 100 0 - 9.5-12.2 QD2 LEU 22 - HB3 GLN 82 far 0 90 0 - 9.8-27.9 QD1 LEU 70 - HB2 GLU 102 far 0 79 0 - 10.0-10.9 Violated in 4 structures by 0.13 A. Peak 11264 from cnoeabs.peaks (1.95, 4.60, 55.56 ppm; 5.19 A increased from 4.61 A): 1 out of 2 assignments used, quality = 0.98: HB3 PRO 81 + HA GLN 82 OK 98 98 100 100 3.9-5.0 5.0=100 HB3 LYS 86 - HA GLN 82 far 0 100 0 - 5.8-7.2 Violated in 0 structures by 0.00 A. Peak 11265 from cnoeabs.peaks (7.55, 2.05, 27.30 ppm; 4.77 A): 2 out of 5 assignments used, quality = 0.90: H GLN 82 + HG3 PRO 81 OK 87 98 90 99 1.8-5.5 11190/2.3=65...(7) H LEU 119 + HG2 PRO 117 OK 26 99 30 87 5.2-5.4 10286/3.8=50...(6) H GLN 82 - HG3 ARG 135 far 0 61 0 - 6.2-8.2 H LEU 119 - HG3 PRO 117 far 0 100 0 - 6.5-6.7 H LEU 119 - HG3 PRO 113 far 0 83 0 - 9.3-11.7 Violated in 2 structures by 0.01 A. Peak 11267 from cnoeabs.peaks (1.79, 1.24, 22.04 ppm; 3.95 A): 1 out of 4 assignments used, quality = 1.00: HB2 LYS 86 + QG2 THR 83 OK 100 100 100 100 3.2-3.9 1.8/9760=75, 3.5/9759=55...(20) HB2 ARG 84 - QG2 THR 83 far 0 87 0 - 5.2-5.8 HB3 LYS 19 - QG2 THR 83 far 0 81 0 - 8.0-30.7 HB3 ARG 135 - QG2 THR 83 far 0 65 0 - 9.0-10.4 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 4.4-5.3 7088/7091=90...(14) Violated in 1 structures by 0.00 A. Peak 11273 from cnoeabs.peaks (4.16, 1.90, 29.31 ppm; 5.63 A increased from 5.00 A): 1 out of 1 assignment used, quality = 1.00: HB THR 83 + HB3 ARG 84 OK 100 100 100 100 4.9-5.8 7088/2542=92...(12) Violated in 3 structures by 0.01 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 3.9-4.1 7088/2.8=80, 2.1/9782=69...(14) 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 0 assignments used, quality = 0.00: Peak 11278 from cnoeabs.peaks (1.64, 2.82, 37.63 ppm; 5.73 A): 2 out of 6 assignments used, quality = 0.79: QB ALA 88 + HB3 ASN 85 OK 73 73 100 100 4.4-5.5 9788/1.8=84, 2595/3.0=64...(10) HG2 ARG 84 + HB3 ASN 85 OK 23 100 25 92 4.3-8.0 ~11320=37, 7105/3.6=23...(21) HG3 ARG 84 - HB3 ASN 85 poor 18 100 20 92 5.9-7.8 ~11320=37, 7105/3.6=23...(21) HD3 LYS 86 - HB3 ASN 85 far 0 78 0 - 6.7-8.0 HD2 LYS 86 - HB3 ASN 85 far 0 78 0 - 6.8-8.4 HG LEU 43 - HB3 ASN 85 far 0 99 0 - 9.5-10.6 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 4.0-4.3 9747/9727=99...(14) HE ARG 135 - HA LYS 86 far 0 99 0 - 7.4-11.1 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): 2 out of 17 assignments used, quality = 1.00: QG2 ILE 80 + HB3 LYS 86 OK 99 99 100 100 2.6-3.7 11240=95, 9821/1.8=85...(39) QG2 ILE 80 + HB3 PRO 81 OK 86 86 100 100 4.1-4.8 11281/1.8=81...(31) QD1 LEU 122 - HB3 LYS 95 far 5 36 15 - 4.9-8.4 QD1 LEU 122 - HB2 LYS 95 far 3 29 10 - 5.4-8.9 HG13 ILE 80 - HB3 LYS 86 far 0 100 0 - 5.9-7.1 QG1 VAL 133 - HB3 PRO 81 far 0 72 0 - 6.2-7.1 HG13 ILE 80 - HB3 PRO 81 far 0 87 0 - 6.3-7.4 QG2 ILE 129 - HB2 LYS 95 far 0 34 0 - 7.0-7.7 QD1 LEU 70 - HB2 LYS 95 far 0 34 0 - 7.5-8.0 QD2 LEU 22 - HB3 LYS 86 far 0 78 0 - 7.8-24.6 QD1 LEU 70 - HB3 LYS 95 far 0 42 0 - 8.0-8.6 QG2 ILE 129 - HB3 LYS 95 far 0 41 0 - 8.0-9.1 QG2 ILE 129 - HB3 LYS 86 far 0 100 0 - 8.4-9.1 QD2 LEU 49 - HB2 LYS 95 far 0 21 0 - 8.4-9.6 QD2 LEU 49 - HB3 LYS 95 far 0 26 0 - 8.6-9.8 QG1 VAL 133 - HB3 LYS 86 far 0 89 0 - 8.6-10.1 QD1 LEU 53 - HB3 LYS 95 far 0 23 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 11283 from cnoeabs.peaks (0.82, 1.66, 29.87 ppm; 3.94 A): 3 out of 14 assignments used, quality = 1.00: QG2 ILE 80 + HD3 LYS 86 OK 98 98 100 100 3.9-4.5 11240/3.5=56...(47) QG2 ILE 80 + HD2 LYS 86 OK 83 98 85 100 3.6-5.0 11240/3.5=56...(46) QG1 VAL 133 + HD2 LYS 39 OK 51 51 100 99 3.3-4.1 10572=46, 11768/1.8=40...(18) HG13 ILE 80 - HD2 LYS 86 far 0 100 0 - 6.0-7.6 QD2 LEU 22 - HD3 LYS 86 far 0 85 0 - 6.2-22.2 QD2 LEU 22 - HD2 LYS 86 far 0 85 0 - 6.5-21.6 HG13 ILE 80 - HD3 LYS 86 far 0 100 0 - 7.0-7.7 QG2 ILE 80 - HD2 LYS 39 far 0 56 0 - 8.1-9.8 HG13 ILE 80 - HD2 LYS 39 far 0 60 0 - 8.1-9.4 QG1 VAL 133 - HD2 LYS 86 far 0 93 0 - 8.8-11.1 QG2 ILE 129 - HD2 LYS 86 far 0 100 0 - 8.9-9.6 QG2 ILE 129 - HD2 LYS 39 far 0 60 0 - 9.0-10.2 QG2 ILE 129 - HD3 LYS 86 far 0 100 0 - 9.5-10.1 QG1 VAL 133 - HD3 LYS 86 far 0 93 0 - 9.6-11.2 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 = 1.00: QG1 VAL 77 + HD2 LYS 86 OK 96 96 100 100 2.9-3.7 11180=93, 9650/3.0=67...(36) QG1 VAL 77 + HD3 LYS 86 OK 91 96 95 100 4.1-5.0 11180/1.8=86...(35) Violated in 0 structures by 0.00 A. Peak 11285 from cnoeabs.peaks (1.18, 1.66, 29.87 ppm; 4.14 A): 3 out of 6 assignments used, quality = 1.00: QG2 VAL 77 + HD2 LYS 86 OK 100 100 100 100 3.2-3.6 2.1/11180=81...(34) QG2 VAL 77 + HD3 LYS 86 OK 100 100 100 100 3.9-4.2 11742/3.0=72...(35) HG3 LYS 39 + HD2 LYS 39 OK 42 42 100 100 2.4-3.0 3.0=100 QB ALA 41 - HD2 LYS 39 far 0 58 0 - 6.2-8.5 QG2 THR 18 - HD3 LYS 86 far 0 99 0 - 7.6-28.6 QG2 THR 18 - HD2 LYS 86 far 0 99 0 - 7.6-28.0 Violated in 0 structures by 0.00 A. Peak 11286 from cnoeabs.peaks (1.17, 1.47, 25.00 ppm; 4.46 A): 1 out of 3 assignments used, quality = 0.95: QG2 VAL 77 + HG3 LYS 86 OK 95 95 100 100 1.9-3.5 11742/1.8=87...(28) QB ALA 41 - HG3 LYS 36 far 14 94 15 - 4.6-5.6 QG2 THR 18 - HG3 LYS 86 far 0 100 0 - 9.0-29.8 Violated in 0 structures by 0.00 A. Peak 11287 from cnoeabs.peaks (3.75, 1.66, 29.87 ppm; 5.06 A): 2 out of 5 assignments used, quality = 1.00: HA THR 83 + HD3 LYS 86 OK 100 100 100 100 2.9-4.0 2517/9759=89...(14) HA THR 83 + HD2 LYS 86 OK 100 100 100 100 4.1-5.4 2636/3.5=74, 2624/3.5=73...(13) HA VAL 133 - HD2 LYS 39 far 0 42 0 - 6.1-7.4 HB3 SER 130 - HD2 LYS 39 far 0 31 0 - 8.5-10.9 HA VAL 133 - HD2 LYS 86 far 0 81 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 11288 from cnoeabs.peaks (1.78, 4.26, 61.26 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.97: HB2 LYS 86 + HA PHE 87 OK 97 97 100 100 3.8-5.6 7156/2.9=97, ~7157=93...(17) HB2 ARG 84 - HA PHE 87 far 0 71 0 - 8.3-8.9 HB3 LYS 19 - HA PHE 87 far 0 63 0 - 9.8-38.8 Violated in 0 structures by 0.00 A. Peak 11289 from cnoeabs.peaks (1.78, 3.23, 38.18 ppm; 5.11 A): 2 out of 4 assignments used, quality = 0.98: HB2 LYS 86 + HB2 PHE 87 OK 97 97 100 100 4.0-5.6 1.8/9833=83, 7156/4.0=72...(10) HB2 LYS 86 + HB3 PHE 87 OK 33 95 35 100 5.2-6.9 7156/4.0=72, ~9833=64...(10) HB2 ARG 84 - HB2 PHE 87 far 0 71 0 - 5.9-7.2 HB2 ARG 84 - HB3 PHE 87 far 0 69 0 - 6.8-8.4 Violated in 3 structures by 0.03 A. Peak 11290 from cnoeabs.peaks (7.06, 1.66, 18.14 ppm; 5.68 A increased from 5.34 A): 2 out of 2 assignments used, quality = 0.99: QD PHE 89 + QB ALA 88 OK 97 97 100 100 4.7-5.5 3.1/11362=91...(13) HE ARG 135 + QB ALA 88 OK 59 100 65 92 3.8-6.9 11875/10533=62...(4) Violated in 0 structures by 0.00 A. Peak 11291 from cnoeabs.peaks (6.93, 1.66, 18.14 ppm; 5.52 A): 0 out of 3 assignments used, quality = 0.00: HD22 ASN 13 - QB ALA 88 far 0 60 0 - 7.5-35.6 HE21 GLN 82 - QB ALA 88 far 0 100 0 - 7.9-10.7 H ILE 80 - QB ALA 88 far 0 78 0 - 9.5-9.9 Violated in 20 structures by 2.99 A. Peak 11292 from cnoeabs.peaks (7.07, 4.20, 54.89 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: QD PHE 89 + HA ALA 88 OK 100 100 100 100 6.4-6.7 ~11362=84, 11359/2.1=80...(8) HZ PHE 87 - HA ALA 88 poor 15 60 25 - 4.8-8.8 HE ARG 135 - HA ALA 88 far 5 90 5 - 7.0-10.7 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 3.8-4.0 2.9/7195=91, 11370=83...(15) HA ILE 80 - QB ALA 88 far 0 76 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 11294 from cnoeabs.peaks (3.23, 1.66, 18.14 ppm; 5.04 A increased from 4.25 A): 3 out of 7 assignments used, quality = 1.00: HB3 PHE 87 + QB ALA 88 OK 100 100 100 100 3.6-5.0 4.5/7185=77, 2.5/9836=59...(23) HB2 PHE 87 + QB ALA 88 OK 100 100 100 100 4.5-5.1 4.5/7185=77, 2.5/9836=59...(21) HD3 ARG 135 + QB ALA 88 OK 78 100 90 87 3.9-5.7 10635/9857=50...(6) HB3 HIS 10 - QB ALA 88 far 4 83 5 - 5.0-39.3 HB3 HIS 8 - QB ALA 88 far 0 71 0 - 6.9-44.9 HA VAL 93 - QB ALA 88 far 0 90 0 - 7.9-8.9 HB3 CYS 125 - QB ALA 88 far 0 57 0 - 8.6-10.5 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 4.6-4.9 4.1/7195=86...(16) 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 2.8-3.6 7275=93, 7281/2793=83...(11) H ILE 129 - HA ARG 90 far 0 76 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 11297 from cnoeabs.peaks (8.44, 3.79, 59.97 ppm; 5.30 A): 1 out of 6 assignments used, quality = 1.00: H VAL 93 + HA ARG 90 OK 100 100 100 100 2.9-3.4 7262=100, 2918/9953=90...(13) H MET 11 - HA ARG 90 far 0 73 0 - 6.2-39.2 H SER 74 - HA ARG 90 far 0 57 0 - 6.5-7.1 H ASN 13 - HA ARG 90 far 0 100 0 - 8.7-36.7 H ALA 12 - HA ARG 90 far 0 99 0 - 8.8-36.9 H LEU 70 - HA ARG 90 far 0 60 0 - 9.8-10.6 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 = 0.98: HE ARG 90 + HB2 ARG 90 OK 93 93 100 100 1.8-4.4 4.8=100 QD PHE 87 + HB2 ARG 90 OK 75 85 100 88 5.1-6.0 3.7/2723=80, 9919/4.4=38 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 5.7-6.7 7209/7220=94...(7) Violated in 4 structures by 0.04 A. Peak 11302 from cnoeabs.peaks (8.68, 2.02, 28.15 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: H PHE 89 + HG2 ARG 90 OK 99 99 100 100 4.4-5.5 4.1/7219=99...(6) H LYS 39 + HB3 GLU 40 OK 76 76 100 100 5.2-5.5 6448/4.0=96, 6466/4.6=73...(4) H SER 60 + HG2 PRO 58 OK 53 53 100 100 4.0-4.5 10975/2.3=91, 10978=89...(13) H SER 50 - HB2 GLU 44 far 0 75 0 - 9.8-10.2 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 3 assignments used, quality = 1.00: QG2 VAL 77 + HG3 ARG 90 OK 100 100 100 100 2.5-3.3 9662/1.8=92, 2.1/9651=76...(31) QG2 THR 18 - HG3 ARG 90 far 0 98 0 - 7.7-29.9 QG2 THR 25 - HG3 ARG 90 far 0 99 0 - 9.5-20.3 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 14 assignments used, quality = 1.00: QG2 VAL 77 + HD3 ARG 90 OK 100 100 100 100 2.3-3.5 9662/3.0=60, 9676/2.9=51...(36) QG2 VAL 77 + HD2 ARG 90 OK 100 100 100 100 1.7-2.4 9662/3.0=60, 9676/2.9=51...(36) QG2 THR 25 - HD2 ARG 23 far 0 91 0 - 7.1-9.6 QG2 THR 25 - HD3 ARG 23 far 0 91 0 - 7.1-10.2 QG2 VAL 77 - HD3 ARG 23 far 0 93 0 - 7.4-24.4 QG2 THR 18 - HD3 ARG 90 far 0 97 0 - 7.4-30.7 QG2 THR 18 - HD2 ARG 23 far 0 88 0 - 7.5-10.9 HG12 ILE 32 - HD3 ARG 23 far 0 74 0 - 7.7-17.0 QG2 THR 18 - HD3 ARG 23 far 0 88 0 - 7.8-11.5 HG12 ILE 32 - HD2 ARG 23 far 0 74 0 - 7.8-16.3 QG2 THR 25 - HD3 ARG 90 far 0 99 0 - 7.9-20.9 QG2 THR 18 - HD2 ARG 90 far 0 97 0 - 8.4-29.9 QG2 VAL 77 - HD2 ARG 23 far 0 93 0 - 8.6-24.4 QG2 THR 25 - HD2 ARG 90 far 0 99 0 - 8.8-19.5 Violated in 0 structures by 0.00 A. Peak 11305 from cnoeabs.peaks (1.05, 3.17, 43.40 ppm; 3.89 A): 2 out of 6 assignments used, quality = 1.00: QG1 VAL 77 + HD3 ARG 90 OK 98 98 100 100 1.7-3.4 9651/3.0=61, 9652/3.0=55...(34) QG1 VAL 77 + HD2 ARG 90 OK 98 98 100 100 1.8-2.9 9651/3.0=61, 9652/3.0=55...(34) QG1 VAL 77 - HD3 ARG 23 far 0 89 0 - 5.9-22.0 QG1 VAL 77 - HD2 ARG 23 far 0 89 0 - 6.9-22.1 QG2 VAL 133 - HD2 ARG 90 far 0 96 0 - 7.1-8.5 QG2 VAL 133 - HD3 ARG 90 far 0 97 0 - 8.0-9.5 Violated in 0 structures by 0.00 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 2.7-3.7 2.1/11303=92, ~9662=80...(29) QG2 VAL 133 - HG3 ARG 90 far 0 100 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 11307 from cnoeabs.peaks (1.38, 3.98, 58.93 ppm; 6.80 A increased from 6.26 A): 0 out of 14 assignments used, quality = 0.00: QB ALA 15 - HA GLU 91 far 15 99 15 - 4.9-36.4 HG2 LYS 95 - HA GLU 91 lone 14 96 100 14 4.5-7.4 3000/4.9=10, 11309/3.0=2 QB ALA 12 - HA GLU 91 far 14 90 15 - 2.8-30.8 HG3 LYS 95 - HA GLU 91 lone 11 97 100 11 4.6-7.0 ~11309=8 QB ALA 15 - HA GLN 68 far 4 79 5 - 6.4-31.5 HB2 LEU 96 - HA GLN 127 far 0 75 0 - 7.9-8.5 HG LEU 96 - HA GLN 68 far 0 57 0 - 8.9-9.5 HB3 LEU 100 - HA GLN 68 far 0 80 0 - 9.2-9.7 QB ALA 12 - HA GLN 68 far 0 68 0 - 9.3-32.4 HG2 LYS 36 - HA GLN 68 far 0 80 0 - 9.6-12.5 HB2 LEU 96 - HA GLU 91 far 0 100 0 - 9.7-10.3 HG LEU 96 - HA GLU 91 far 0 78 0 - 9.7-10.6 QB ALA 16 - HA GLU 91 far 0 60 0 - 9.8-39.0 HB2 LEU 42 - HA GLN 68 far 0 81 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 11308 from cnoeabs.peaks (1.41, 1.99, 28.84 ppm; 5.12 A increased from 4.82 A): 1 out of 6 assignments used, quality = 0.89: QB ALA 92 + HB2 GLU 91 OK 89 89 100 100 3.7-5.1 3.0/7252=88, 9914/3.0=78...(21) HG2 LYS 95 - HB2 GLU 91 far 0 71 0 - 6.1-9.1 HG3 LYS 95 - HB2 GLU 91 far 0 65 0 - 6.5-9.1 HG2 LYS 86 - HB2 GLU 91 far 0 99 0 - 8.4-10.2 QB ALA 109 - HB3 PRO 56 far 0 34 0 - 8.7-9.9 QB ALA 16 - HB2 GLU 91 far 0 99 0 - 9.9-39.7 Violated in 0 structures by 0.00 A. Peak 11309 from cnoeabs.peaks (1.41, 2.03, 28.84 ppm; 5.23 A): 1 out of 4 assignments used, quality = 0.83: QB ALA 92 + HB3 GLU 91 OK 83 83 100 100 4.7-5.1 3.0/2875=85...(20) HG2 LYS 95 - HB3 GLU 91 poor 10 78 35 35 5.3-7.8 ~11307=16, ~11040=15 HG3 LYS 95 - HB3 GLU 91 far 4 73 5 - 5.7-7.8 QB ALA 15 - HB3 GLU 91 far 3 65 5 - 5.7-37.9 Violated in 0 structures by 0.00 A. Peak 11311 from cnoeabs.peaks (8.12, 4.05, 55.00 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: H GLU 91 + HA ALA 92 OK 100 100 100 100 5.3-5.4 7250/2.9=100...(6) Violated in 0 structures by 0.00 A. Peak 11312 from cnoeabs.peaks (8.26, 4.05, 55.00 ppm; 5.97 A): 1 out of 4 assignments used, quality = 0.93: H LEU 96 + HA ALA 92 OK 93 93 100 100 4.5-4.9 3.1/2894=90, 7311/4.9=68...(17) H VAL 126 - HA ALA 92 far 0 57 0 - 6.7-7.9 H ASP 131 - HA ALA 92 far 0 97 0 - 9.6-10.4 H LEU 123 - HA ALA 92 far 0 100 0 - 9.9-11.3 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 3.5-4.2 1.8/10444=82...(14) HG2 GLU 91 + QB ALA 92 OK 90 100 90 100 2.9-5.7 7254/7257=65, 9914=54...(21) HB3 LEU 96 + QB ALA 92 OK 88 99 90 98 4.3-4.9 10492/10491=66...(13) HB3 GLN 127 - QB ALA 92 far 0 100 0 - 6.6-8.1 HB3 GLU 97 - QB ALA 92 far 0 93 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 11316 from cnoeabs.peaks (2.05, 1.43, 18.02 ppm; 5.02 A increased from 4.23 A): 1 out of 7 assignments used, quality = 0.92: HB3 GLU 91 + QB ALA 92 OK 92 92 100 100 4.7-5.1 4.6/7257=75...(20) QE MET 11 - QB ALA 92 far 5 99 5 - 3.2-32.7 HB3 MET 11 - QB ALA 92 far 4 71 5 - 5.5-37.1 HG2 ARG 90 - QB ALA 92 far 0 71 0 - 6.6-7.0 HB2 GLN 127 - QB ALA 92 far 0 98 0 - 6.7-8.2 HG3 ARG 135 - QB ALA 92 far 0 92 0 - 8.0-8.9 HB2 GLN 134 - QB ALA 92 far 0 65 0 - 9.9-11.8 Violated in 3 structures by 0.01 A. Peak 11317 from cnoeabs.peaks (1.75, 1.43, 18.02 ppm; 4.64 A increased from 3.91 A): 1 out of 4 assignments used, quality = 1.00: HG13 ILE 129 + QB ALA 92 OK 100 100 100 100 2.3-4.8 2.1/10491=98...(16) HG3 ARG 90 - QB ALA 92 far 0 92 0 - 7.0-7.9 HG LEU 100 - QB ALA 92 far 0 57 0 - 9.2-10.2 HB ILE 80 - QB ALA 92 far 0 97 0 - 9.5-10.3 Violated in 3 structures by 0.02 A. Peak 11318 from cnoeabs.peaks (1.64, 1.43, 18.02 ppm; 4.53 A increased from 4.26 A): 3 out of 7 assignments used, quality = 0.97: QB ALA 88 + QB ALA 92 OK 85 87 100 98 3.6-4.7 11362/2897=40, ~7246=40...(15) HD3 LYS 95 + QB ALA 92 OK 72 90 80 100 4.5-5.9 3.7/9948=59, 9941/2.1=54...(21) HD2 LYS 95 + QB ALA 92 OK 34 97 35 99 3.1-6.5 3.7/9948=59, 9941/2.1=39...(21) HB2 LEU 69 - QB ALA 92 far 0 68 0 - 7.3-8.1 HB2 LEU 98 - QB ALA 92 far 0 98 0 - 8.3-8.7 HB2 LEU 123 - QB ALA 92 far 0 99 0 - 8.8-10.1 HG2 ARG 84 - QB ALA 92 far 0 99 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 11319 from cnoeabs.peaks (2.36, 1.43, 18.02 ppm; 4.43 A): 1 out of 4 assignments used, quality = 0.89: HG2 GLU 128 + QB ALA 92 OK 89 89 100 100 1.8-3.1 1.8/10447=94, 10446=83...(17) HG2 GLN 127 - QB ALA 92 far 0 100 0 - 5.5-8.9 HB VAL 77 - QB ALA 92 far 0 76 0 - 7.6-8.1 HB3 GLN 134 - QB ALA 92 far 0 63 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 11321 from cnoeabs.peaks (0.83, 3.25, 66.81 ppm; 5.56 A): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 129 + HA VAL 93 OK 100 100 100 100 3.6-4.2 4163/10461=97...(34) QD1 LEU 70 + HA VAL 93 OK 99 99 100 100 4.8-5.6 11088/4.9=65, ~9485=65...(17) QD1 LEU 122 - HA VAL 93 far 12 83 15 - 5.3-8.1 QD2 LEU 49 - HA VAL 93 far 0 57 0 - 7.1-7.5 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 8 assignments used, quality = 0.93: QD2 LEU 70 + QG1 VAL 93 OK 79 92 100 86 2.3-3.0 9485/2.1=28, 9495/3.2=19...(22) QD1 LEU 70 + QG1 VAL 93 OK 65 76 100 86 2.5-3.2 ~9485=20, ~9485=18...(23) QG2 ILE 129 - QG1 VAL 93 far 0 83 0 - 3.7-4.3 QD2 LEU 69 - QG1 VAL 93 far 0 63 0 - 6.4-6.8 QD1 LEU 98 - QG1 VAL 93 far 0 81 0 - 6.5-7.9 QG1 VAL 133 - QG1 VAL 93 far 0 100 0 - 8.5-9.0 QG2 ILE 80 - QG1 VAL 93 far 0 63 0 - 8.6-8.9 HG13 ILE 80 - QG1 VAL 93 far 0 87 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 11323 from cnoeabs.peaks (1.70, 0.75, 21.32 ppm; 5.07 A increased from 4.50 A): 3 out of 4 assignments used, quality = 1.00: HB2 LEU 70 + QG1 VAL 93 OK 93 93 100 100 4.6-5.1 ~9485=55, 3.2/11322=53...(18) HB3 LEU 70 + QG1 VAL 93 OK 84 89 95 100 5.1-5.7 ~9485=55, 3.2/11322=53...(17) HB2 LEU 69 + QG1 VAL 93 OK 54 60 100 90 4.5-5.1 ~9968=52, 11410=48...(8) HG LEU 98 - QG1 VAL 93 far 0 96 0 - 6.3-7.7 Violated in 0 structures by 0.00 A. Peak 11324 from cnoeabs.peaks (1.64, 0.75, 21.32 ppm; 5.54 A): 1 out of 11 assignments used, quality = 0.65: HB2 LEU 69 + QG1 VAL 93 OK 65 65 100 99 4.5-5.1 11407/2.1=88, ~9968=61...(9) HD3 LYS 95 - QG1 VAL 93 far 13 89 15 - 5.4-8.0 HD2 LYS 95 - QG1 VAL 93 far 10 96 10 - 6.0-8.2 HB2 LEU 98 - QG1 VAL 93 far 0 97 0 - 6.5-7.4 HD3 LYS 19 - QG1 VAL 93 far 0 99 0 - 6.7-32.9 HD2 LYS 19 - QG1 VAL 93 far 0 99 0 - 7.6-33.2 QB ALA 88 - QG1 VAL 93 far 0 85 0 - 7.7-8.3 HD2 LYS 24 - QG1 VAL 93 far 0 85 0 - 7.8-24.4 HD3 LYS 24 - QG1 VAL 93 far 0 87 0 - 8.0-23.0 HD2 LYS 86 - QG1 VAL 93 far 0 89 0 - 8.7-9.7 HD3 LYS 86 - QG1 VAL 93 far 0 89 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 11325 from cnoeabs.peaks (1.73, 0.29, 23.10 ppm; 4.55 A): 1 out of 10 assignments used, quality = 0.97: HG13 ILE 129 + QG2 VAL 93 OK 97 97 100 100 1.7-4.1 2.1/9967=97...(21) HG3 ARG 90 - QG2 VAL 93 far 15 100 15 - 3.9-6.3 HB2 LEU 70 - QG2 VAL 93 far 0 78 0 - 6.3-6.6 HB3 LEU 70 - QG2 VAL 93 far 0 85 0 - 6.5-6.8 HB ILE 80 - QG2 VAL 93 far 0 100 0 - 7.5-7.9 HG LEU 98 - QG2 VAL 93 far 0 73 0 - 8.4-9.4 HG2 ARG 135 - QG2 VAL 93 far 0 76 0 - 9.3-10.7 HB2 LYS 19 - QG2 VAL 93 far 0 89 0 - 9.4-33.6 HB2 LYS 39 - QG2 VAL 93 far 0 63 0 - 9.8-11.0 HB2 LEU 43 - QG2 VAL 93 far 0 99 0 - 9.9-10.4 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 1 assignment used, quality = 0.99: QE PHE 89 + QG2 VAL 93 OK 99 99 100 100 1.9-3.2 2.2/9924=79...(23) Violated in 0 structures by 0.00 A. Peak 11327 from cnoeabs.peaks (8.28, 0.29, 23.10 ppm; 5.38 A): 1 out of 8 assignments used, quality = 1.00: H LEU 96 + QG2 VAL 93 OK 100 100 100 100 4.7-4.9 11432/2.1=85...(28) H VAL 126 - QG2 VAL 93 far 0 97 0 - 6.1-6.6 H LEU 69 - QG2 VAL 93 far 0 85 0 - 6.9-7.4 H ASP 131 - QG2 VAL 93 far 0 98 0 - 7.1-7.6 H LEU 43 - QG2 VAL 93 far 0 99 0 - 8.4-8.8 H SER 99 - QG2 VAL 93 far 0 96 0 - 8.4-9.0 H LEU 123 - QG2 VAL 93 far 0 83 0 - 9.6-10.1 H LEU 49 - QG2 VAL 93 far 0 76 0 - 9.7-10.2 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 4.5-4.6 9566=98, 2.9/9955=92...(19) 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 4.3-4.7 2.9/11422=95...(16) 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 5 assignments used, quality = 0.99: H LEU 96 + QG1 VAL 93 OK 99 99 100 100 4.1-4.2 7311/3.2=77...(25) H SER 99 - QG1 VAL 93 far 0 71 0 - 7.0-7.7 H VAL 126 - QG1 VAL 93 far 0 73 0 - 7.1-7.5 H ASP 131 - QG1 VAL 93 far 0 100 0 - 9.6-10.1 H LEU 123 - QG1 VAL 93 far 0 99 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 11331 from cnoeabs.peaks (7.79, 0.75, 21.32 ppm; 5.85 A increased from 5.50 A): 2 out of 2 assignments used, quality = 1.00: H GLY 75 + QG1 VAL 93 OK 99 100 100 99 5.3-5.8 3.6/9590=86...(8) H ALA 92 + QG1 VAL 93 OK 68 68 100 100 5.4-5.6 9922/2.1=94, ~9970=77...(16) 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 4.2-4.4 3.4/7283=86, 3.6/9963=78...(28) H GLN 101 - QG1 VAL 93 far 0 98 0 - 8.3-8.7 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 1 assignment used, quality = 1.00: QE PHE 89 + QG1 VAL 93 OK 100 100 100 100 3.1-4.5 11424/2.1=95...(15) 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 4.8-5.9 2.2/11429=93, ~11424=81...(10) QD PHE 87 - QG1 VAL 93 far 0 100 0 - 9.0-9.6 Violated in 1 structures by 0.01 A. Peak 11335 from cnoeabs.peaks (0.89, 4.23, 61.64 ppm; 5.27 A): 3 out of 9 assignments used, quality = 1.00: QD2 LEU 123 + HA SER 124 OK 95 95 100 100 4.4-5.1 7766/2.9=82...(18) QD2 LEU 98 + HA SER 94 OK 93 97 100 97 3.6-5.2 11470/4.9=67...(6) QD1 LEU 98 + HA SER 94 OK 26 71 50 74 5.1-7.0 ~11438=46, 11469/4.9=32...(4) QD1 LEU 49 - HA SER 124 far 0 63 0 - 8.4-9.1 QD1 LEU 62 - HA SER 124 far 0 61 0 - 8.8-10.0 QG1 VAL 118 - HA SER 124 far 0 89 0 - 9.3-9.9 QD2 LEU 69 - HA SER 124 far 0 79 0 - 9.4-10.2 QG2 VAL 20 - HA SER 94 far 0 100 0 - 9.7-28.7 QG1 VAL 118 - HA SER 94 far 0 96 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 11336 from cnoeabs.peaks (0.76, 4.23, 61.64 ppm; 5.20 A): 2 out of 9 assignments used, quality = 0.99: QG1 VAL 93 + HA SER 94 OK 93 93 100 100 2.8-3.0 9963=89, 7283/2.9=87...(24) QD2 LEU 96 + HA SER 94 OK 91 92 100 99 4.3-5.8 3098/7334=56...(12) QD1 LEU 96 - HA SER 94 far 0 99 0 - 6.4-7.0 QD2 LEU 122 - HA SER 94 far 0 76 0 - 7.1-9.6 HG12 ILE 129 - HA SER 124 far 0 86 0 - 7.1-8.4 QD2 LEU 122 - HA SER 124 far 0 68 0 - 7.4-8.4 QD1 LEU 96 - HA SER 124 far 0 93 0 - 7.6-8.2 QD2 LEU 96 - HA SER 124 far 0 84 0 - 8.0-9.0 HG12 ILE 129 - HA SER 94 far 0 93 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 11338 from cnoeabs.peaks (1.48, 3.90, 62.72 ppm; 5.43 A increased from 5.11 A): 1 out of 3 assignments used, quality = 0.58: HB2 LEU 49 + HB3 SER 50 OK 58 60 100 97 4.0-5.5 6618/3.9=71, 1546=41...(10) QB ALA 52 - HB3 SER 50 far 0 73 0 - 6.3-7.3 HG3 LYS 86 - HB2 SER 94 far 0 99 0 - 9.4-13.2 Violated in 1 structures by 0.00 A. Peak 11339 from cnoeabs.peaks (0.92, 3.90, 62.72 ppm; 4.31 A): 1 out of 7 assignments used, quality = 0.65: QD1 LEU 123 + HB3 SER 50 OK 65 66 100 100 1.9-3.9 11874/3.0=76, ~11636=44...(28) QD1 LEU 49 - HB3 SER 50 far 11 73 15 - 4.7-6.7 QD2 LEU 48 - HB3 SER 50 far 0 71 0 - 6.5-8.6 QD1 LEU 48 - HB3 SER 50 far 0 70 0 - 7.5-9.4 QD1 LEU 62 - HB3 SER 50 far 0 73 0 - 8.1-8.9 QG1 VAL 20 - HB2 SER 94 far 0 99 0 - 9.0-31.1 QG2 VAL 20 - HB2 SER 94 far 0 73 0 - 10.0-28.7 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 11 assignments used, quality = 0.96: QD1 LEU 53 + HB3 SER 50 OK 73 73 100 100 3.7-5.6 9218/3.0=98...(23) QD2 LEU 49 + HB3 SER 50 OK 67 72 95 98 5.9-7.1 3.2/11338=83...(7) QD1 LEU 70 + HB2 SER 94 OK 55 65 100 84 5.4-6.7 11088/3.0=51, ~11104=33...(5) QD1 LEU 122 - HB3 SER 50 far 3 62 5 - 6.3-9.4 QG2 ILE 129 - HB2 SER 94 far 0 57 0 - 7.5-8.1 QD1 LEU 96 - HB3 SER 50 far 0 54 0 - 7.8-9.4 QD1 LEU 96 - HB2 SER 94 far 0 83 0 - 8.2-8.7 QD1 LEU 122 - HB2 SER 94 far 0 92 0 - 8.5-11.4 QG2 ILE 129 - HB3 SER 50 far 0 35 0 - 8.6-10.3 QD2 LEU 122 - HB2 SER 94 far 0 100 0 - 8.7-11.3 QD2 LEU 122 - HB3 SER 50 far 0 72 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 11341 from cnoeabs.peaks (8.50, 4.02, 59.62 ppm; 5.29 A): 1 out of 4 assignments used, quality = 1.00: H GLU 97 + HA LYS 95 OK 100 100 100 100 3.9-4.3 7330/3.6=90, 7335/2.9=76...(11) H SER 9 - HA LYS 95 far 0 97 0 - 6.1-43.5 H LEU 100 - HA LYS 95 far 0 96 0 - 6.3-7.0 H HIS 5 - HA LYS 95 far 0 57 0 - 9.9-56.3 Violated in 0 structures by 0.00 A. Peak 11343 from cnoeabs.peaks (0.86, 4.02, 59.62 ppm; 3.86 A): 1 out of 3 assignments used, quality = 0.96: QD2 LEU 98 + HA LYS 95 OK 96 96 100 100 2.0-3.4 11372=97, 2.1/11468=69...(24) QD1 LEU 98 - HA LYS 95 far 10 100 10 - 4.3-4.8 QD2 LEU 70 - HA LYS 95 far 0 99 0 - 6.4-6.8 Violated in 0 structures by 0.00 A. Peak 11350 from cnoeabs.peaks (0.81, 1.94, 32.34 ppm; 5.20 A): 2 out of 24 assignments used, quality = 0.90: QG2 ILE 80 + HB3 PRO 81 OK 82 82 100 100 4.1-4.8 11281/1.8=84...(32) QG2 ILE 80 + HB3 LYS 86 OK 42 42 100 100 2.6-3.7 11240=99, 9821/1.8=93...(38) QD1 LEU 122 - HB3 LYS 95 far 15 99 15 - 4.9-8.4 QD2 LEU 122 - HB3 LYS 95 poor 15 65 70 32 4.7-7.9 10382/11652=8...(8) QD1 LEU 122 - HB2 LYS 95 far 10 98 10 - 5.4-8.9 QD2 LEU 122 - HB2 LYS 95 poor 9 64 45 31 5.2-8.8 10387/11658=8...(8) HG13 ILE 80 - HB3 LYS 86 far 0 38 0 - 5.9-7.1 QD2 LEU 119 - HB2 PRO 58 far 0 76 0 - 6.0-7.0 QG1 VAL 133 - HB3 PRO 81 far 0 56 0 - 6.2-7.1 HG13 ILE 80 - HB3 PRO 81 far 0 77 0 - 6.3-7.4 QG2 ILE 129 - HB2 LYS 95 far 0 98 0 - 7.0-7.7 QD1 LEU 70 - HB2 LYS 95 far 0 99 0 - 7.5-8.0 QD2 LEU 22 - HB3 LYS 86 far 0 20 0 - 7.8-24.6 QD1 LEU 70 - HB3 LYS 95 far 0 100 0 - 8.0-8.6 QG2 ILE 129 - HB3 LYS 95 far 0 99 0 - 8.0-9.1 QG2 ILE 129 - HB3 LYS 86 far 0 39 0 - 8.4-9.1 QD2 LEU 49 - HB2 LYS 95 far 0 88 0 - 8.4-9.6 QD2 LEU 49 - HB3 LYS 95 far 0 89 0 - 8.6-9.8 QG1 VAL 133 - HB3 LYS 86 far 0 26 0 - 8.6-10.1 QD1 LEU 53 - HB3 LYS 95 far 0 83 0 - 8.8-11.3 QD1 LEU 53 - HB2 PRO 58 far 0 64 0 - 9.0-11.5 QD1 LEU 53 - HB2 LYS 95 far 0 82 0 - 9.0-12.0 QD1 LEU 122 - HB2 PRO 58 far 0 82 0 - 9.4-12.8 QD2 LEU 122 - HB2 PRO 58 far 0 49 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 11351 from cnoeabs.peaks (7.80, 2.88, 41.80 ppm; 4.93 A increased from 4.64 A): 2 out of 4 assignments used, quality = 0.95: H ALA 92 + HE3 LYS 95 OK 91 92 100 99 4.4-4.8 2.9/3044=46...(21) H ALA 92 + HE2 LYS 95 OK 45 92 50 99 4.8-6.4 2.9/3033=38, ~3044=33...(20) HD22 ASN 121 - HE2 LYS 95 far 0 71 0 - 7.8-10.3 HD22 ASN 121 - HE3 LYS 95 far 0 71 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 11352 from cnoeabs.peaks (8.01, 2.88, 41.80 ppm; 6.20 A increased from 5.51 A): 2 out of 4 assignments used, quality = 0.95: H SER 94 + HE3 LYS 95 OK 82 83 100 99 4.7-6.2 9225/3.0=44, 3.4/3043=43...(15) H SER 94 + HE2 LYS 95 OK 70 83 85 99 5.7-7.3 9225/3.0=44, 3.4/3043=43...(15) H ILE 129 - HE2 LYS 95 far 0 98 0 - 7.7-11.2 H ILE 129 - HE3 LYS 95 far 0 98 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 11353 from cnoeabs.peaks (3.77, 0.77, 23.84 ppm; 4.88 A): 2 out of 8 assignments used, quality = 1.00: HA GLU 97 + QD1 LEU 96 OK 99 99 100 100 3.0-3.9 11809/2.1=81, ~3098=56...(36) HB2 SER 99 + QD1 LEU 96 OK 77 98 95 82 4.4-6.3 3208/4.0=34, 4.5/3106=27...(13) HB2 SER 99 - QD1 LEU 103 far 3 65 5 - 5.2-7.5 HB3 SER 130 - QD1 LEU 96 far 0 99 0 - 8.0-9.4 HA ARG 90 - QD1 LEU 96 far 0 68 0 - 8.1-8.8 HA GLU 97 - QD1 LEU 103 far 0 67 0 - 8.5-9.4 HA SER 130 - QD1 LEU 96 far 0 93 0 - 8.7-9.6 HA LEU 43 - QD1 LEU 96 far 0 95 0 - 8.8-9.6 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 2.4-3.1 10492=99, 9982/3.8=79...(29) QD1 LEU 42 - HB3 LEU 96 far 0 100 0 - 7.4-8.2 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 5 assignments used, quality = 1.00: H SER 99 + HA GLU 97 OK 99 99 100 100 4.0-5.0 7375/3.6=85, 7374=49...(15) H LEU 96 + HA GLU 97 OK 97 97 100 100 5.1-5.3 7330/2.8=94...(15) H LEU 69 - HA GLU 97 far 0 93 0 - 7.6-8.1 H VAL 126 - HA GLU 97 far 0 99 0 - 7.9-8.8 H LEU 123 - HA GLU 97 far 0 71 0 - 8.6-10.3 Violated in 0 structures by 0.00 A. Peak 11358 from cnoeabs.peaks (4.23, 2.42, 35.12 ppm; 4.90 A): 1 out of 3 assignments used, quality = 1.00: HA SER 94 + HG3 GLU 97 OK 100 100 100 100 2.1-2.7 11457/1.8=97...(12) HA SER 99 - HG3 GLU 97 far 0 93 0 - 7.1-8.6 HA HIS 67 - HG3 GLU 97 far 0 93 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 11359 from cnoeabs.peaks (4.23, 2.27, 35.12 ppm; 4.19 A): 2 out of 7 assignments used, quality = 1.00: HA SER 94 + HG2 GLU 97 OK 99 100 100 99 2.3-3.7 11456/1.8=63...(15) HA GLU 30 + HG2 GLU 30 OK 69 69 100 100 2.0-3.9 3.8=100 HA ALA 28 - HG2 GLU 30 far 0 69 0 - 6.0-7.7 HA ALA 29 - HG2 GLU 30 far 0 70 0 - 6.1-7.5 HA GLN 27 - HG2 GLU 30 far 0 63 0 - 6.8-9.8 HA HIS 67 - HG2 GLU 97 far 0 93 0 - 6.9-8.0 HA SER 99 - HG2 GLU 97 far 0 93 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 11361 from cnoeabs.peaks (1.39, 2.27, 35.12 ppm; 4.97 A): 4 out of 12 assignments used, quality = 1.00: HG LEU 96 + HG2 GLU 97 OK 99 99 100 100 2.9-4.1 10010/1.8=78...(23) QB ALA 28 + HG2 GLU 30 OK 67 67 100 100 3.1-4.5 10791/3.0=85...(13) QB ALA 29 + HG2 GLU 30 OK 25 65 40 95 4.8-6.9 3.7/6320=64, 4.9/775=43...(11) HB2 LEU 96 + HG2 GLU 97 OK 24 97 25 100 5.3-6.1 4.4/3133=64, ~10010=49...(25) QB ALA 15 - HG2 GLU 97 far 5 98 5 - 5.1-33.3 HG3 LYS 31 - HG2 GLU 30 far 0 71 0 - 5.7-8.7 HG3 LYS 95 - HG2 GLU 97 far 0 99 0 - 6.1-8.1 HG2 LYS 95 - HG2 GLU 97 far 0 100 0 - 6.5-9.0 QB ALA 16 - HG2 GLU 97 far 0 95 0 - 6.6-36.5 HB3 LEU 100 - HG2 GLU 97 far 0 96 0 - 6.9-7.9 HG3 LYS 26 - HG2 GLU 30 far 0 66 0 - 7.3-12.7 HG2 LYS 24 - HG2 GLU 30 far 0 63 0 - 9.4-20.5 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 17 assignments used, quality = 0.98: HG LEU 96 + HB3 GLU 97 OK 95 95 100 100 4.0-5.1 11363/1.8=90...(32) QB ALA 92 + HB3 GLU 128 OK 57 57 100 100 3.5-4.2 10444/1.8=84...(13) QB ALA 15 - HB3 GLU 97 far 3 63 5 - 5.4-32.8 QB ALA 15 - HB2 GLN 82 far 2 41 5 - 5.0-38.2 HG2 LYS 86 - HB2 GLN 82 far 0 72 0 - 6.6-9.1 QB ALA 16 - HB3 GLU 97 far 0 99 0 - 6.6-36.2 QB ALA 108 - HB3 GLU 102 far 0 49 0 - 7.9-9.9 HG2 LYS 95 - HB3 GLU 128 far 0 50 0 - 8.0-10.0 HG3 LYS 95 - HB3 GLU 97 far 0 71 0 - 8.2-9.6 HG2 LYS 95 - HB3 GLU 97 far 0 76 0 - 8.4-10.2 QB ALA 16 - HB2 GLN 82 far 0 75 0 - 8.8-39.7 QB ALA 109 - HB3 GLU 102 far 0 57 0 - 9.0-10.9 QB ALA 92 - HB3 GLU 97 far 0 85 0 - 9.0-9.5 HG3 LYS 95 - HB3 GLU 128 far 0 46 0 - 9.0-11.1 HG LEU 96 - HB3 GLU 102 far 0 73 0 - 9.4-12.3 HG3 LYS 95 - HB3 GLU 102 far 0 51 0 - 9.5-12.3 QB ALA 16 - HB3 GLU 102 far 0 80 0 - 10.0-42.8 Violated in 0 structures by 0.00 A. Peak 11363 from cnoeabs.peaks (1.40, 2.14, 28.66 ppm; 4.96 A): 1 out of 8 assignments used, quality = 0.99: HG LEU 96 + HB2 GLU 97 OK 99 99 100 100 3.4-5.1 11106/11109=78...(24) HB3 LEU 100 - HB2 GLU 97 far 11 71 15 - 5.4-6.5 QB ALA 15 - HB2 GLU 97 far 4 78 5 - 4.6-32.9 HB2 LEU 96 - HB2 GLU 97 far 0 73 0 - 6.2-7.3 QB ALA 16 - HB2 GLU 97 far 0 100 0 - 6.7-36.1 HG3 LYS 95 - HB2 GLU 97 far 0 85 0 - 7.4-9.6 HG2 LYS 95 - HB2 GLU 97 far 0 89 0 - 7.8-10.0 QB ALA 92 - HB2 GLU 97 far 0 71 0 - 8.4-9.2 Violated in 4 structures by 0.01 A. Peak 11364 from cnoeabs.peaks (1.80, 2.21, 28.66 ppm; 4.47 A): 2 out of 15 assignments used, quality = 0.90: HB2 LEU 100 + HB3 GLU 97 OK 68 68 100 100 4.0-4.6 3.2/10030=51...(23) HB2 ARG 84 + HB2 GLN 82 OK 67 69 100 99 2.9-4.4 11407/2.9=62...(14) HB3 ARG 135 - HB2 GLN 82 poor 11 53 60 35 4.4-6.7 9799/9797=17...(3) HB3 LEU 98 - HB3 GLU 102 poor 6 75 30 29 4.6-8.4 11850/3.8=15...(6) HB3 LEU 98 - HB3 GLU 97 far 0 97 0 - 5.5-7.3 HB3 LEU 103 - HB3 GLU 102 far 0 81 0 - 5.5-6.4 HB2 LYS 86 - HB2 GLN 82 far 0 77 0 - 5.7-8.1 HG LEU 100 - HB3 GLU 97 far 0 85 0 - 5.9-6.6 HB2 LEU 100 - HB3 GLU 102 far 0 49 0 - 6.2-8.4 HG LEU 100 - HB3 GLU 102 far 0 63 0 - 7.1-9.1 HB3 LEU 122 - HB3 GLU 97 far 0 100 0 - 7.4-10.7 HB3 LYS 24 - HB3 GLU 97 far 0 87 0 - 8.6-32.3 HB3 LEU 122 - HB3 GLU 102 far 0 81 0 - 8.7-11.5 HB3 LEU 103 - HB3 GLU 97 far 0 100 0 - 9.0-9.8 HB3 LEU 123 - HB3 GLU 128 far 0 26 0 - 9.9-11.0 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 6 assignments used, quality = 0.75: HB3 ASN 85 + HB2 GLN 82 OK 75 75 100 100 2.2-5.7 3.5/9797=89...(18) HB2 ASN 13 - HB2 GLN 82 far 3 67 5 - 3.8-46.3 HB2 ASN 121 - HB3 GLU 102 far 0 42 0 - 6.9-8.5 HB2 ASN 116 - HB3 GLU 102 far 0 59 0 - 7.8-10.5 HB3 ASP 71 - HB3 GLU 97 far 0 93 0 - 9.0-10.9 HB2 ASN 121 - HB3 GLU 97 far 0 60 0 - 9.4-11.9 Violated in 0 structures by 0.00 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 3.7-5.4 9789/1.8=96, 3.5/9797=89...(17) HB2 ASN 85 - HB3 GLU 128 far 0 73 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 11368 from cnoeabs.peaks (1.22, 4.11, 57.89 ppm; 5.04 A): 2 out of 4 assignments used, quality = 0.97: QG2 THR 65 + HA LEU 48 OK 89 89 100 100 3.9-4.3 10991/3.0=74...(19) QG2 THR 65 + HA LEU 49 OK 75 75 100 100 2.3-3.1 10966/4.1=74...(17) QG2 THR 54 - HA LEU 49 far 0 51 0 - 6.1-6.7 QG2 THR 54 - HA LEU 48 far 0 64 0 - 6.3-7.4 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 = 0.98: QG2 THR 65 + HG LEU 48 OK 98 98 100 100 3.7-4.2 9441=91, 10991/3.0=77...(17) QG2 THR 54 - HG LEU 48 far 0 86 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 11371 from cnoeabs.peaks (4.02, 1.71, 26.74 ppm; 4.28 A): 1 out of 10 assignments used, quality = 1.00: HA LYS 95 + HG LEU 98 OK 100 100 100 100 2.9-3.5 11470/2.1=89...(21) HA GLU 44 - HG LEU 48 poor 20 66 30 - 4.7-5.9 HB3 SER 99 - HG LEU 98 far 9 89 10 - 4.7-8.1 HA LEU 96 - HG LEU 98 far 0 85 0 - 5.2-7.1 HA LEU 122 - HG LEU 98 far 0 65 0 - 7.2-9.5 HA GLU 102 - HG LEU 98 far 0 63 0 - 8.2-9.9 HA ALA 92 - HG LEU 98 far 0 71 0 - 8.4-8.9 HA GLN 68 - HG LEU 48 far 0 58 0 - 8.9-11.3 HA SER 50 - HG LEU 48 far 0 66 0 - 9.0-9.2 HA LEU 103 - HG LEU 98 far 0 99 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 11372 from cnoeabs.peaks (4.01, 0.86, 23.66 ppm; 3.86 A): 1 out of 10 assignments used, quality = 0.41: HA LYS 95 + QD2 LEU 98 OK 41 41 100 100 2.0-3.4 11440=97, 11468/2.1=69...(23) HA LYS 95 - QD1 LEU 98 far 10 98 10 - 4.3-4.8 HB3 SER 99 - QD1 LEU 98 far 0 100 0 - 4.6-7.4 HB3 SER 99 - QD2 LEU 98 far 0 43 0 - 5.8-7.2 HA LEU 103 - QD1 LEU 98 far 0 99 0 - 7.5-9.8 HA GLU 91 - QD1 LEU 98 far 0 57 0 - 8.6-9.9 HB2 SER 124 - QD2 LEU 98 far 0 36 0 - 9.0-11.1 HA LEU 103 - QD2 LEU 98 far 0 43 0 - 9.6-10.5 HA LEU 119 - QD1 LEU 98 far 0 92 0 - 9.7-12.5 HB2 SER 124 - QD1 LEU 98 far 0 92 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 11373 from cnoeabs.peaks (4.01, 0.88, 24.02 ppm; 3.86 A): 1 out of 11 assignments used, quality = 0.99: HA LYS 95 + QD2 LEU 98 OK 99 99 100 100 2.0-3.4 11343=92, 11468/2.1=69...(23) HA LYS 95 - QD1 LEU 98 far 4 43 10 - 4.3-4.8 HB3 SER 99 - QD1 LEU 98 far 0 42 0 - 4.6-7.4 HA LEU 96 - QD2 LEU 98 far 0 63 0 - 5.5-6.6 HB3 SER 99 - QD2 LEU 98 far 0 99 0 - 5.8-7.2 HA LEU 96 - QD1 LEU 98 far 0 22 0 - 6.2-7.3 HA LEU 103 - QD1 LEU 98 far 0 44 0 - 7.5-9.8 HB2 SER 124 - QD2 LEU 98 far 0 87 0 - 9.0-11.1 HA LEU 103 - QD2 LEU 98 far 0 100 0 - 9.6-10.5 HA LEU 119 - QD1 LEU 98 far 0 39 0 - 9.7-12.5 HB2 SER 124 - QD1 LEU 98 far 0 33 0 - 9.9-12.6 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 = 0.98: HG LEU 122 + HB2 SER 99 OK 94 99 95 100 2.0-5.8 ~11702=60, 11473/1.8=53...(28) HB2 LEU 122 + HB2 SER 99 OK 75 100 75 100 4.0-6.7 ~11702=48, 3.1/11479=46...(31) HG LEU 119 - HB2 SER 99 far 0 98 0 - 7.5-9.2 HG LEU 70 - HB2 SER 99 far 0 100 0 - 8.2-9.8 Violated in 1 structures by 0.03 A. Peak 11375 from cnoeabs.peaks (1.78, 4.00, 63.21 ppm; 5.76 A increased from 5.42 A): 4 out of 4 assignments used, quality = 1.00: HG LEU 100 + HB3 SER 99 OK 99 100 100 99 4.2-6.0 7399/7395=86...(12) HB3 LEU 122 + HB3 SER 99 OK 92 92 100 100 3.5-6.2 3.1/11702=76...(21) HB3 LEU 98 + HB3 SER 99 OK 81 99 85 96 5.1-7.2 ~11480=66, 7378/3.7=56...(10) HB3 LEU 103 + HB3 SER 99 OK 65 93 90 77 4.8-6.5 11916/10270=36...(8) 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 = 0.97: HG LEU 122 + HB3 SER 99 OK 89 89 100 100 2.5-4.7 2.1/11702=78...(24) HB2 LEU 122 + HB3 SER 99 OK 71 95 75 100 5.1-6.4 3.1/11702=72...(25) HG LEU 119 - HB3 SER 99 far 0 100 0 - 6.9-8.4 HB2 LEU 123 - HB3 SER 99 far 0 63 0 - 7.4-8.7 HG LEU 70 - HB3 SER 99 far 0 97 0 - 9.1-10.4 HG LEU 62 - HB3 SER 99 far 0 68 0 - 9.6-11.8 Violated in 0 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 100 100 100 100 1.8-3.9 2.1/11702=61...(26) QD1 LEU 122 + HB3 SER 99 OK 60 81 75 99 2.0-5.7 11702=56, 11479/1.8=34...(24) QD1 LEU 103 - HB3 SER 99 far 0 100 0 - 4.6-6.4 QD1 LEU 96 - HB3 SER 99 far 0 93 0 - 4.9-6.2 QD2 LEU 49 - HB3 SER 99 far 0 97 0 - 6.0-7.6 QD1 LEU 53 - HB3 SER 99 far 0 99 0 - 6.6-8.4 QG1 VAL 63 - HB3 SER 99 far 0 100 0 - 6.9-8.6 QD2 LEU 119 - HB3 SER 99 far 0 92 0 - 7.2-8.6 Violated in 0 structures by 0.00 A. Peak 11379 from cnoeabs.peaks (0.79, 3.76, 63.21 ppm; 3.91 A): 2 out of 9 assignments used, quality = 1.00: QD2 LEU 122 + HB2 SER 99 OK 100 100 100 100 1.8-3.7 11476/1.8=49...(36) QD1 LEU 122 + HB2 SER 99 OK 82 87 95 100 1.8-5.1 11702/1.8=52...(34) QD1 LEU 96 - HB2 SER 99 far 9 89 10 - 4.4-6.3 QD1 LEU 103 - HB2 SER 99 far 0 99 0 - 5.2-7.5 QD2 LEU 49 - HB2 SER 99 far 0 99 0 - 5.8-7.5 QD1 LEU 53 - HB2 SER 99 far 0 100 0 - 6.3-8.8 QG1 VAL 63 - HB2 SER 99 far 0 99 0 - 6.8-8.5 QD2 LEU 119 - HB2 SER 99 far 0 96 0 - 7.4-9.1 QD1 LEU 70 - HB2 SER 99 far 0 57 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 11380 from cnoeabs.peaks (0.86, 3.76, 63.21 ppm; 6.06 A increased from 5.38 A): 3 out of 5 assignments used, quality = 0.99: QD1 LEU 98 + HB2 SER 99 OK 88 100 90 98 4.2-7.1 3191/3.7=83, ~11480=56...(9) QD2 LEU 98 + HB2 SER 99 OK 87 93 100 93 4.8-6.6 ~11480=56, 3199/3.7=37...(9) QD2 LEU 70 + HB2 SER 99 OK 50 99 90 56 6.1-7.2 11916/11477=21...(7) QD2 LEU 123 - HB2 SER 99 far 0 78 0 - 8.7-9.8 QD2 LEU 69 - HB2 SER 99 far 0 99 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 11381 from cnoeabs.peaks (0.80, 4.22, 62.42 ppm; 4.98 A): 2 out of 8 assignments used, quality = 0.98: QD2 LEU 122 + HA SER 99 OK 89 89 100 100 3.7-4.7 11476/3.0=51...(39) QD1 LEU 122 + HA SER 99 OK 80 100 80 100 3.8-6.9 11702/3.0=70...(33) QD1 LEU 103 - HA SER 99 far 8 78 10 - 5.3-7.2 QG1 VAL 63 - HA SER 99 far 0 81 0 - 7.5-8.5 QD2 LEU 49 - HA SER 99 far 0 99 0 - 8.1-8.6 QD2 LEU 119 - HA SER 99 far 0 100 0 - 8.3-9.3 QD1 LEU 70 - HA SER 99 far 0 92 0 - 8.6-9.0 QD1 LEU 53 - HA SER 99 far 0 97 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. Peak 11384 from cnoeabs.peaks (0.80, 3.96, 57.71 ppm; 3.79 A): 3 out of 9 assignments used, quality = 1.00: QD2 LEU 122 + HA LEU 100 OK 92 97 100 95 2.0-3.8 11481/4.9=28...(24) QD1 LEU 122 + HA LEU 100 OK 86 97 95 93 2.3-5.0 9487/3266=37...(24) QG1 VAL 63 + HA LEU 100 OK 81 93 90 97 3.5-4.5 10974/3258=55...(19) QD1 LEU 103 - HA LEU 100 far 0 92 0 - 4.5-5.1 QD1 LEU 96 - HA LEU 100 far 0 71 0 - 4.6-5.5 QD2 LEU 49 - HA LEU 100 far 0 100 0 - 5.5-6.2 QD2 LEU 119 - HA LEU 100 far 0 100 0 - 6.4-8.0 QD1 LEU 53 - HA LEU 100 far 0 100 0 - 7.0-8.7 QD1 LEU 70 - HA LEU 100 far 0 78 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 11385 from cnoeabs.peaks (0.83, 1.82, 41.28 ppm; 4.12 A): 2 out of 8 assignments used, quality = 0.88: QD2 LEU 70 + HB2 LEU 100 OK 71 78 100 91 3.6-4.5 11107/3.2=50...(13) QD1 LEU 122 + HB2 LEU 100 OK 59 63 95 99 3.3-5.7 9487/3.2=63, ~3887=18...(37) QD1 LEU 122 - HB3 LEU 123 far 2 42 5 - 3.0-6.6 QD1 LEU 70 - HB2 LEU 100 far 0 90 0 - 4.7-5.5 QD1 LEU 98 - HB2 LEU 100 far 0 63 0 - 6.2-7.1 QG2 VAL 57 - HB3 LEU 123 far 0 42 0 - 6.8-7.7 QD2 LEU 70 - HB3 LEU 123 far 0 54 0 - 9.7-10.5 QG2 ILE 129 - HB2 LEU 100 far 0 95 0 - 9.9-10.7 Violated in 1 structures by 0.01 A. Peak 11386 from cnoeabs.peaks (0.78, 1.78, 26.11 ppm; 3.80 A): 3 out of 8 assignments used, quality = 1.00: QD2 LEU 122 + HG LEU 100 OK 99 100 100 99 1.9-3.1 ~9487=48, ~9487=34...(34) QD1 LEU 96 + HG LEU 100 OK 93 97 100 96 2.3-3.3 11388/2.1=32, ~11918=32...(22) QD1 LEU 122 + HG LEU 100 OK 69 71 100 97 1.7-3.5 2.1/3887=28...(33) QD2 LEU 49 - HG LEU 100 poor 19 92 95 21 4.0-4.5 11492/2.1=8, 11491/2.1=7...(4) QG1 VAL 63 - HG LEU 100 far 5 100 5 - 4.3-5.3 QD1 LEU 103 - HG LEU 100 far 0 100 0 - 5.7-6.8 QD1 LEU 53 - HG LEU 100 far 0 96 0 - 6.2-7.6 QD2 LEU 119 - HG LEU 100 far 0 85 0 - 7.1-8.6 Violated in 0 structures by 0.00 A. Peak 11387 from cnoeabs.peaks (0.78, 0.68, 23.54 ppm; 2.50 A): 2 out of 16 assignments used, quality = 0.96: QG1 VAL 63 + QD2 LEU 100 OK 92 100 100 92 2.0-2.8 10974=36, 3.2/9397=24...(23) QD1 LEU 122 + QD2 LEU 100 OK 41 71 80 73 1.8-3.3 11492/2.1=12, 3895/2.1=9...(26) QD1 LEU 53 - QD2 LEU 62 poor 20 59 45 74 1.7-3.6 2.1/10338=34...(12) QD2 LEU 49 - QD2 LEU 100 poor 18 92 20 - 3.0-3.7 QD2 LEU 122 - QD2 LEU 100 far 15 100 15 - 2.2-4.3 QD1 LEU 96 - QD2 LEU 100 far 0 97 0 - 3.1-3.8 QD2 LEU 49 - QD2 LEU 62 far 0 56 0 - 3.6-3.9 QD2 LEU 119 - QD2 LEU 62 far 0 50 0 - 3.7-3.9 QD1 LEU 122 - QD2 LEU 62 far 0 40 0 - 3.9-6.8 QD1 LEU 103 - QD2 LEU 100 far 0 100 0 - 4.6-5.2 QD2 LEU 122 - QD2 LEU 62 far 0 65 0 - 4.6-6.8 QD1 LEU 53 - QD2 LEU 100 far 0 96 0 - 4.9-6.8 QD1 LEU 103 - QD2 LEU 62 far 0 66 0 - 5.0-5.7 QD2 LEU 119 - QD2 LEU 100 far 0 85 0 - 5.6-7.2 QD1 LEU 96 - QD2 LEU 62 far 0 62 0 - 6.1-6.8 QG1 VAL 63 - QD2 LEU 62 far 0 66 0 - 6.5-6.7 Violated in 1 structures by 0.01 A. Peak 11388 from cnoeabs.peaks (0.78, 0.60, 25.62 ppm; 2.92 A): 3 out of 11 assignments used, quality = 0.97: QD1 LEU 96 + QD1 LEU 100 OK 81 99 100 82 1.8-1.9 2.1/3268=23...(22) QD2 LEU 122 + QD1 LEU 100 OK 70 99 75 95 2.8-4.2 2.1/9487=54, 3903/2.1=18...(34) QD1 LEU 122 + QD1 LEU 100 OK 52 63 95 87 1.9-3.6 11387/2.1=19, 9487=15...(33) QD2 LEU 49 - QD1 LEU 100 poor 20 87 55 41 3.2-3.8 9460/11037=8...(10) QG1 VAL 63 - QD1 LEU 100 far 0 100 0 - 3.9-4.2 QG1 VAL 93 - QD1 LEU 100 far 0 60 0 - 5.0-5.4 QD1 LEU 53 - QD1 LEU 100 far 0 92 0 - 6.0-7.3 QD1 LEU 103 - QD1 LEU 100 far 0 100 0 - 6.4-6.9 HG12 ILE 129 - QD1 LEU 100 far 0 60 0 - 6.9-9.1 QD2 LEU 119 - QD1 LEU 100 far 0 78 0 - 7.4-8.6 QD1 ILE 37 - QD1 LEU 100 far 0 100 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 11389 from cnoeabs.peaks (1.66, 0.60, 25.62 ppm; 4.55 A increased from 4.28 A): 1 out of 6 assignments used, quality = 0.77: HB2 LEU 69 + QD1 LEU 100 OK 77 97 100 80 4.3-4.6 6941/11094=56...(7) HB2 LEU 98 - QD1 LEU 100 far 0 99 0 - 6.4-7.0 HB2 LEU 123 - QD1 LEU 100 far 0 99 0 - 8.4-9.8 HG LEU 62 - QD1 LEU 100 far 0 97 0 - 8.6-9.6 HD3 LYS 95 - QD1 LEU 100 far 0 100 0 - 8.8-10.7 HD2 LYS 95 - QD1 LEU 100 far 0 100 0 - 9.0-10.7 Violated in 3 structures by 0.01 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 3.5-4.2 10001/2.1=100...(21) HB2 SER 99 + HG LEU 100 OK 100 100 100 100 3.9-5.8 4.5/7399=96...(17) Violated in 0 structures by 0.00 A. Peak 11392 from cnoeabs.peaks (8.48, 2.56, 33.80 ppm; 5.54 A): 1 out of 2 assignments used, quality = 0.98: H LEU 100 + HG3 GLN 101 OK 98 98 100 100 4.0-4.8 3.1/3314=96, ~3305=68...(18) H GLU 97 - HG3 GLN 101 far 0 78 0 - 6.6-8.1 Violated in 0 structures by 0.00 A. Peak 11394 from cnoeabs.peaks (3.98, 2.56, 33.80 ppm; 5.98 A increased from 5.32 A): 2 out of 6 assignments used, quality = 0.94: HA LEU 100 + HG3 GLN 101 OK 92 92 100 100 5.3-5.8 3.6/3314=97...(11) HB3 SER 99 + HG3 GLN 101 OK 26 60 60 71 6.1-7.0 4.5/11496=65...(5) HB2 SER 106 - HG3 GLN 101 far 0 97 0 - 7.8-9.9 HB3 SER 106 - HG3 GLN 101 far 0 100 0 - 8.5-9.9 HB3 SER 107 - HG3 GLN 101 far 0 90 0 - 9.1-11.8 HB3 SER 94 - HG3 GLN 101 far 0 100 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 11396 from cnoeabs.peaks (4.00, 2.21, 27.91 ppm; 4.35 A): 2 out of 7 assignments used, quality = 0.64: HA GLN 68 + HB2 GLN 68 OK 51 51 100 100 2.4-2.7 3.0=100 HA THR 65 + HB2 GLN 68 OK 28 30 95 99 3.1-5.2 2066/1.8=38...(18) HA LEU 103 - HB2 GLN 101 far 0 81 0 - 8.0-8.6 HB3 SER 99 - HB2 GLN 101 far 0 97 0 - 8.5-9.4 HB2 SER 106 - HB2 GLN 101 far 0 60 0 - 8.9-10.7 HA ILE 37 - HB2 GLN 68 far 0 30 0 - 9.3-12.4 HB3 SER 106 - HB2 GLN 101 far 0 89 0 - 9.4-10.8 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 8 assignments used, quality = 0.97: HB2 LEU 100 + HA GLN 101 OK 93 93 100 100 4.5-4.7 1.8/10048=74...(14) HB3 LEU 103 + HA GLN 101 OK 61 92 75 88 5.2-5.4 7488/3282=52...(9) HB3 LYS 19 - HA CYS 79 far 4 83 5 - 5.0-30.0 HB3 LYS 24 - HA CYS 79 far 0 82 0 - 6.5-22.2 HB3 ARG 23 - HA CYS 79 far 0 72 0 - 6.6-23.5 HB2 LYS 86 - HA CYS 79 far 0 75 0 - 7.1-9.1 HB3 LEU 98 - HA GLN 101 far 0 76 0 - 7.6-8.2 HB3 LEU 122 - HA GLN 101 far 0 93 0 - 8.5-11.3 Violated in 0 structures by 0.00 A. Peak 11400 from cnoeabs.peaks (0.89, 4.10, 58.80 ppm; 4.49 A): 0 out of 8 assignments used, quality = 0.00: QG2 VAL 63 - HA GLN 101 far 0 71 0 - 5.5-6.1 QG1 VAL 118 - HA GLN 101 far 0 93 0 - 5.8-6.6 QD2 LEU 98 - HA GLN 101 far 0 98 0 - 6.5-8.8 QD1 LEU 98 - HA GLN 101 far 0 76 0 - 6.6-7.1 QD2 LEU 70 - HA GLN 101 far 0 60 0 - 7.2-8.1 QG2 VAL 20 - HA CYS 79 far 0 82 0 - 7.2-21.8 QD1 LEU 22 - HA CYS 79 far 0 80 0 - 7.3-19.9 QG1 VAL 20 - HA CYS 79 far 0 59 0 - 8.1-24.2 Violated in 20 structures by 0.48 A. Peak 11401 from cnoeabs.peaks (0.79, 4.10, 58.80 ppm; 5.37 A increased from 4.52 A): 2 out of 11 assignments used, quality = 0.99: QG1 VAL 63 + HA GLN 101 OK 97 98 100 99 4.4-5.3 10964/10048=57...(17) QG2 ILE 80 + HA CYS 79 OK 59 59 100 100 5.2-5.6 ~9700=60, ~11166=46...(21) QD2 LEU 122 - HA GLN 101 far 0 100 0 - 6.3-7.3 QD1 LEU 122 - HA GLN 101 far 0 92 0 - 6.5-8.9 QD1 LEU 103 - HA GLN 101 far 0 97 0 - 7.2-7.4 QD1 LEU 70 - HA GLN 101 far 0 65 0 - 7.3-8.0 QD1 ILE 37 - HA CYS 79 far 0 75 0 - 7.3-9.2 QD1 LEU 96 - HA GLN 101 far 0 83 0 - 7.6-8.3 QD1 ILE 32 - HA CYS 79 far 0 72 0 - 8.5-12.0 QD2 LEU 49 - HA GLN 101 far 0 100 0 - 9.1-9.8 QD2 LEU 119 - HA GLN 101 far 0 98 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 11402 from cnoeabs.peaks (0.88, 2.21, 27.91 ppm; 4.91 A): 2 out of 9 assignments used, quality = 0.57: QD2 LEU 69 + HB2 GLN 68 OK 45 47 100 96 4.3-4.7 11044/10050=37...(12) QD1 LEU 98 + HB2 GLN 101 OK 22 89 25 100 5.4-5.9 10059/7436=61...(13) QD2 LEU 98 - HB2 GLN 101 far 0 100 0 - 5.5-8.0 QG1 VAL 118 - HB2 GLN 101 far 0 83 0 - 6.8-7.8 QD2 LEU 48 - HB2 GLN 68 far 0 24 0 - 6.8-8.2 QD2 LEU 70 - HB2 GLN 68 far 0 32 0 - 6.8-7.3 QD2 LEU 70 - HB2 GLN 101 far 0 76 0 - 7.3-8.7 QG2 VAL 20 - HB2 GLN 68 far 0 45 0 - 9.3-28.6 QG1 VAL 20 - HB2 GLN 101 far 0 63 0 - 9.8-32.3 Violated in 0 structures by 0.00 A. Peak 11403 from cnoeabs.peaks (0.98, 2.21, 27.91 ppm; 5.74 A): 2 out of 5 assignments used, quality = 0.96: QG1 VAL 105 + HB2 GLN 101 OK 89 89 100 100 3.3-4.4 11503/2.9=88, ~11501=62...(11) QG2 VAL 105 + HB2 GLN 101 OK 65 65 100 100 4.3-5.1 11501/1.8=82...(13) QG2 VAL 126 - HB2 GLN 68 far 0 44 0 - 7.1-8.1 QG1 VAL 126 - HB2 GLN 68 far 0 36 0 - 7.3-8.2 QD2 LEU 53 - HB2 GLN 68 far 0 47 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 11404 from cnoeabs.peaks (0.99, 2.30, 27.91 ppm; 6.19 A): 2 out of 4 assignments used, quality = 0.97: QG2 VAL 105 + HB3 GLN 101 OK 92 92 100 100 4.0-5.8 10054/2.9=91...(13) QG1 VAL 105 + HB3 GLN 101 OK 60 60 100 100 3.6-5.6 11503/2.9=87, ~10054=69...(10) QG2 VAL 118 - HB3 GLN 101 far 0 81 0 - 7.3-8.3 QG2 VAL 126 - HB3 GLN 101 far 0 71 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 11405 from cnoeabs.peaks (1.43, 2.42, 33.80 ppm; 6.80 A): 0 out of 2 assignments used, quality = 0.00: QB ALA 16 - HG2 GLN 101 far 4 71 5 - 7.3-38.9 HG2 LYS 86 - HG2 GLN 82 far 0 57 0 - 8.3-10.6 Violated in 20 structures by 2.36 A. Peak 11406 from cnoeabs.peaks (1.65, 2.42, 33.80 ppm; 4.59 A): 3 out of 7 assignments used, quality = 0.94: HG LEU 62 + HG3 GLN 61 OK 82 86 100 96 3.2-4.9 2.1/10033=71...(5) HG3 ARG 84 + HG2 GLN 82 OK 43 49 95 91 3.0-5.6 3.0/11407=64, ~11314=19...(11) HG2 ARG 84 + HG2 GLN 82 OK 38 49 85 91 2.7-6.7 3.0/11407=64, ~11314=19...(11) HB2 LEU 98 - HG2 GLN 101 far 10 100 10 - 5.0-7.3 QB ALA 88 - HG2 GLN 82 far 0 58 0 - 6.1-8.8 HD3 LYS 86 - HG2 GLN 82 far 0 59 0 - 8.6-10.2 HD2 LYS 86 - HG2 GLN 82 far 0 59 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 11407 from cnoeabs.peaks (1.80, 2.42, 33.80 ppm; 4.62 A): 1 out of 12 assignments used, quality = 0.48: HB2 ARG 84 + HG2 GLN 82 OK 48 56 95 90 3.3-5.3 11302/4.1=38...(13) HB3 ARG 135 - HG2 GLN 82 poor 16 45 35 - 3.4-6.4 HB2 LEU 100 - HG2 GLN 101 far 11 76 15 - 3.5-6.6 HB3 LEU 98 - HG2 GLN 101 far 9 93 10 - 4.1-6.2 HG LEU 100 - HG2 GLN 101 far 0 78 0 - 6.0-8.6 HB2 LEU 48 - HG3 GLN 61 far 0 70 0 - 6.1-7.0 HB3 LEU 103 - HG2 GLN 101 far 0 99 0 - 6.8-7.4 HB2 LYS 86 - HG2 GLN 82 far 0 60 0 - 7.5-9.9 HB3 LEU 122 - HG3 GLN 61 far 0 86 0 - 9.1-11.7 HB3 LEU 122 - HG2 GLN 101 far 0 100 0 - 9.2-12.6 HB3 LEU 123 - HG3 GLN 61 far 0 35 0 - 9.8-11.6 HB3 LEU 103 - HG3 GLN 61 far 0 85 0 - 10.0-10.9 Violated in 1 structures by 0.03 A. Peak 11408 from cnoeabs.peaks (0.97, 2.42, 33.80 ppm; 4.52 A): 3 out of 7 assignments used, quality = 0.95: QG1 VAL 105 + HG2 GLN 101 OK 78 93 85 98 4.1-5.8 ~10054=49, ~10054=48...(14) QG1 VAL 57 + HG3 GLN 61 OK 55 55 100 100 3.0-4.4 9377/1.8=73...(27) QG2 VAL 105 + HG2 GLN 101 OK 47 57 85 97 3.6-6.0 10054/1.8=64...(13) QD2 LEU 53 - HG3 GLN 61 far 0 85 0 - 5.6-7.4 QG2 VAL 126 - HG3 GLN 61 far 0 82 0 - 8.9-9.8 QG1 VAL 126 - HG3 GLN 61 far 0 72 0 - 9.0-9.8 QG2 VAL 126 - HG2 GLN 101 far 0 97 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 11409 from cnoeabs.peaks (0.81, 2.56, 33.80 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.90: QD1 LEU 122 + HG3 GLN 101 OK 64 100 85 75 6.0-9.0 10026/11392=41...(6) QD2 LEU 122 + HG3 GLN 101 OK 56 73 100 76 6.0-6.7 10026/11392=39...(7) QG1 VAL 63 + HG3 GLN 101 OK 37 63 75 80 6.9-7.8 11401/3278=38...(5) QD1 LEU 70 - HG3 GLN 101 poor 20 99 20 - 6.8-8.3 QD1 LEU 103 - HG3 GLN 101 far 0 60 0 - 7.7-8.0 QD2 LEU 49 - HG3 GLN 101 far 0 93 0 - 9.6-10.4 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 3 assignments used, quality = 0.97: HA SER 99 + HG3 GLU 102 OK 97 97 100 100 2.5-3.9 3207/3.0=83, 3206/3.0=82...(8) HB3 SER 38 - HG3 GLU 44 far 0 67 0 - 7.0-9.9 HA VAL 105 - HG3 GLU 102 far 0 90 0 - 7.6-8.6 Violated in 0 structures by 0.00 A. Peak 11412 from cnoeabs.peaks (1.00, 2.52, 34.65 ppm; 4.27 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 105 + HG3 GLU 102 OK 98 99 100 99 3.8-4.4 10086/3.7=69...(8) QG2 VAL 118 + HG3 GLU 102 OK 95 95 100 100 1.9-4.5 10267=91, 10266/1.8=84...(13) QD1 LEU 69 - HG3 GLU 44 far 0 73 0 - 7.1-8.0 Violated in 0 structures by 0.00 A. Peak 11413 from cnoeabs.peaks (1.00, 2.36, 34.65 ppm; 4.15 A): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 118 + HG2 GLU 102 OK 97 97 100 100 2.5-3.6 10266=95, 10267/1.8=77...(12) QG2 VAL 105 + HG2 GLU 102 OK 78 100 80 98 3.3-5.1 10086/3.7=66...(8) Violated in 0 structures by 0.00 A. Peak 11414 from cnoeabs.peaks (0.99, 2.23, 28.58 ppm; 4.83 A): 2 out of 12 assignments used, quality = 0.99: QG2 VAL 105 + HB3 GLU 102 OK 95 95 100 100 3.3-4.1 11508/3.0=88...(18) QG2 VAL 118 + HB3 GLU 102 OK 85 85 100 100 2.5-3.9 2.1/11546=78, 11545=72...(16) QD1 LEU 69 - HB2 GLN 68 far 0 47 0 - 5.8-6.5 QG2 VAL 126 - HB2 GLN 68 far 0 33 0 - 7.1-8.1 QG2 VAL 126 - HB3 GLU 97 far 0 46 0 - 7.2-8.1 QG2 VAL 126 - HB3 GLU 128 far 0 56 0 - 7.5-7.8 QD1 LEU 69 - HB3 GLU 97 far 0 65 0 - 8.2-9.3 QD1 LEU 69 - HB3 GLU 128 far 0 77 0 - 8.6-9.2 QG2 VAL 105 - HB3 GLU 97 far 0 73 0 - 9.0-10.2 QG2 VAL 118 - HB3 GLU 97 far 0 63 0 - 9.3-10.5 QD2 LEU 53 - HB3 GLU 102 far 0 73 0 - 9.8-11.4 QD2 LEU 53 - HB2 GLN 68 far 0 37 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 11415 from cnoeabs.peaks (8.08, 0.74, 25.24 ppm; 4.67 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 103 + QD2 LEU 103 OK 100 100 100 100 4.2-4.3 7477=100, 7474/3.1=81...(26) H ALA 108 - QD2 LEU 103 far 0 100 0 - 5.8-7.5 H ALA 109 - QD2 LEU 103 far 0 100 0 - 6.0-8.1 H ASN 120 - QD2 LEU 103 far 0 100 0 - 6.0-6.5 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 3.3-4.1 7491=100, 7488/3.1=81...(25) HD22 ASN 116 + QD2 LEU 103 OK 49 83 60 98 4.6-5.6 ~10219=63, ~11425=45...(11) H SER 106 - QD2 LEU 103 far 0 100 0 - 6.2-6.8 H THR 115 - QD2 LEU 103 far 0 99 0 - 7.7-10.2 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 = 0.99: QG2 VAL 118 + HA LEU 103 OK 90 90 100 100 2.8-3.1 2.1/11836=86...(17) QG2 VAL 105 + HA LEU 103 OK 89 97 100 91 3.8-4.2 10070/3.6=56...(7) QD2 LEU 53 - HA LEU 103 far 0 65 0 - 7.1-8.9 QG1 VAL 112 - HA LEU 103 far 0 68 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 11420 from cnoeabs.peaks (2.19, 1.79, 41.89 ppm; 4.54 A): 1 out of 13 assignments used, quality = 0.63: HB3 GLN 104 + HB3 LEU 103 OK 63 65 100 97 4.2-4.5 3.9/7488=64...(12) HB2 GLN 104 - HB3 LEU 103 far 0 99 0 - 5.4-5.7 HB3 GLU 97 - HB3 LEU 98 far 0 68 0 - 5.5-7.3 HB2 GLN 68 - HB2 LEU 48 far 0 44 0 - 6.8-8.4 HB2 GLN 101 - HB3 LEU 98 far 0 85 0 - 6.8-7.6 HB2 GLN 101 - HB3 LEU 103 far 0 97 0 - 7.1-7.4 HB3 GLU 97 - HB3 LEU 122 far 0 80 0 - 7.4-10.7 HB3 LEU 69 - HB3 LEU 122 far 0 57 0 - 7.5-8.2 HB3 LEU 69 - HB2 LEU 48 far 0 33 0 - 7.5-8.0 HB3 GLN 68 - HB2 LEU 48 far 0 56 0 - 7.6-8.8 HB3 GLU 97 - HB3 LEU 103 far 0 81 0 - 9.0-9.8 HB2 GLN 101 - HB3 LEU 122 far 0 96 0 - 9.5-12.8 HB3 GLN 104 - HB3 LEU 122 far 0 65 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 11421 from cnoeabs.peaks (1.38, 0.88, 25.36 ppm; 4.30 A): 0 out of 1 assignment used, quality = 0.00: HB2 LEU 96 - QD2 LEU 123 far 0 100 0 - 8.2-9.0 Violated in 20 structures by 4.57 A. Peak 11422 from cnoeabs.peaks (0.79, 0.88, 25.36 ppm; 3.23 A increased from 2.72 A): 1 out of 7 assignments used, quality = 0.92: QD1 LEU 53 + QD2 LEU 123 OK 92 100 100 92 2.3-3.4 11571/3.2=36...(17) QD1 LEU 122 - QD2 LEU 123 far 0 96 0 - 4.4-7.2 QD2 LEU 119 - QD2 LEU 123 far 0 99 0 - 5.6-6.4 QD2 LEU 49 - QD2 LEU 123 far 0 100 0 - 5.7-6.4 QD2 LEU 122 - QD2 LEU 123 far 0 99 0 - 5.9-7.4 QD1 LEU 96 - QD2 LEU 123 far 0 76 0 - 7.3-8.0 QD1 LEU 103 - QD2 LEU 123 far 0 95 0 - 7.4-8.5 Violated in 1 structures by 0.01 A. Peak 11423 from cnoeabs.peaks (3.86, 1.56, 26.63 ppm; 5.29 A): 3 out of 11 assignments used, quality = 0.92: HA LEU 123 + HG LEU 123 OK 79 79 100 100 3.6-3.7 3.7=100 HB2 SER 50 + HG LEU 123 OK 46 62 75 100 4.7-7.0 ~11339=73, ~11874=69...(21) HA LEU 62 + HG LEU 49 OK 31 33 100 95 4.0-4.6 11027/11025=68...(6) HB3 SER 50 - HG LEU 123 poor 12 46 25 - 4.6-7.1 HA LEU 123 - HG LEU 49 far 5 34 15 - 5.7-6.6 HB3 SER 33 - HG2 ARG 23 far 2 32 5 - 5.0-19.8 HA LEU 62 - HG LEU 103 far 0 93 0 - 6.6-7.7 HB2 SER 50 - HG LEU 49 far 0 25 0 - 6.7-8.0 HA2 GLY 114 - HG LEU 123 far 0 60 0 - 9.0-10.6 HA LEU 70 - HG LEU 49 far 0 25 0 - 9.8-10.3 HD2 PRO 117 - HG LEU 103 far 0 100 0 - 9.9-11.1 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 2 assignments used, quality = 0.99: HD21 ASN 59 + QD1 LEU 103 OK 99 99 100 100 2.2-3.2 9343=74, 1.7/11427=71...(17) HD21 ASN 59 - QD1 LEU 96 far 0 67 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 11425 from cnoeabs.peaks (7.00, 0.78, 24.12 ppm; 5.71 A): 1 out of 1 assignment used, quality = 0.93: HD21 ASN 116 + QD1 LEU 103 OK 93 93 100 100 1.8-4.3 10219=80, 11532/10265=68...(17) Violated in 0 structures by 0.00 A. Peak 11426 from cnoeabs.peaks (7.55, 0.78, 24.12 ppm; 5.59 A): 1 out of 6 assignments used, quality = 0.99: H LEU 119 + QD1 LEU 103 OK 99 99 100 100 3.0-3.7 7648/11548=87...(13) HE22 GLN 61 - QD1 LEU 103 far 5 98 5 - 6.0-11.6 H LEU 119 - QD1 LEU 96 far 0 66 0 - 8.5-9.4 H THR 54 - QD1 LEU 103 far 0 100 0 - 9.4-10.9 H VAL 77 - QD1 LEU 96 far 0 66 0 - 9.5-10.6 HE22 GLN 61 - QD1 LEU 96 far 0 65 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 11427 from cnoeabs.peaks (7.79, 0.78, 24.12 ppm; 4.63 A increased from 4.35 A): 1 out of 5 assignments used, quality = 1.00: HD22 ASN 59 + QD1 LEU 103 OK 100 100 100 100 3.3-4.5 1.7/11424=85, 9348=65...(14) HD22 ASN 121 - QD1 LEU 103 far 0 97 0 - 7.6-8.9 H ALA 92 - QD1 LEU 96 far 0 34 0 - 8.2-8.9 HD22 ASN 121 - QD1 LEU 96 far 0 63 0 - 8.4-9.1 H GLY 75 - QD1 LEU 96 far 0 69 0 - 8.5-9.5 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 1 assignment used, quality = 1.00: HD21 ASN 59 + HG LEU 103 OK 100 100 100 100 2.0-5.1 11424/2.1=92, ~11427=70...(13) 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 9 assignments used, quality = 1.00: HB3 LEU 103 + HA GLN 104 OK 99 100 100 99 4.2-4.5 7488/3.0=68...(19) HB3 LEU 98 + HA LEU 98 OK 52 52 100 100 2.2-2.7 3.0=100 HB2 LEU 48 + HA LEU 48 OK 45 45 100 100 2.5-2.7 3.0=100 HB2 LEU 100 - HA LEU 98 far 2 32 5 - 4.8-5.3 HG LEU 100 - HA LEU 98 far 0 43 0 - 6.7-7.2 HB3 LEU 122 - HA LEU 98 far 0 57 0 - 7.2-10.8 HB3 LEU 103 - HA LEU 98 far 0 57 0 - 7.9-8.8 HG LEU 100 - HA GLN 104 far 0 85 0 - 8.0-8.7 HB2 LEU 100 - HA GLN 104 far 0 68 0 - 8.2-8.6 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 14 assignments used, quality = 0.99: QG2 VAL 63 + HA GLN 104 OK 96 96 100 100 2.0-2.8 2.1/11433=88...(21) QD2 LEU 48 + HA LEU 48 OK 50 50 100 100 1.9-2.6 3.8=100 QD2 LEU 98 + HA LEU 98 OK 38 38 100 100 2.0-4.1 4.0=100 QD1 LEU 48 + HA LEU 48 OK 32 32 100 100 3.8-3.8 4.0=100 QD1 LEU 49 + HA LEU 48 OK 24 46 55 96 4.7-5.4 1581/4.9=33, 1583/3.0=28...(19) QD2 LEU 69 - HA LEU 48 far 0 26 0 - 5.7-6.1 QG1 VAL 118 - HA GLN 104 far 0 100 0 - 6.1-6.3 QG1 VAL 118 - HA LEU 98 far 0 58 0 - 6.2-7.0 QD1 LEU 62 - HA GLN 104 far 0 92 0 - 7.4-8.1 QD1 LEU 123 - HA LEU 48 far 0 26 0 - 7.5-8.0 QD2 LEU 123 - HA LEU 48 far 0 46 0 - 8.2-9.0 QD1 LEU 62 - HA LEU 48 far 0 45 0 - 8.5-9.1 QG2 VAL 63 - HA LEU 98 far 0 51 0 - 9.0-9.8 QG2 VAL 112 - HA GLN 104 far 0 71 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 11433 from cnoeabs.peaks (0.80, 4.09, 58.10 ppm; 3.70 A): 1 out of 19 assignments used, quality = 0.90: QG1 VAL 63 + HA GLN 104 OK 90 90 100 99 3.1-3.8 10979=43, 11522/3416=42...(19) QD1 LEU 103 - HA GLN 104 poor 18 89 20 - 3.9-5.0 QD1 LEU 122 - HA LEU 98 far 0 55 0 - 5.5-8.9 QD2 LEU 122 - HA LEU 98 far 0 51 0 - 5.5-7.2 QD1 LEU 70 - HA LEU 98 far 0 41 0 - 5.9-6.3 QD1 LEU 53 - HA LEU 48 far 0 53 0 - 6.2-6.8 QD1 LEU 122 - HA GLN 104 far 0 99 0 - 6.4-9.1 QD2 LEU 122 - HA GLN 104 far 0 96 0 - 6.5-8.9 QD2 LEU 49 - HA LEU 48 far 0 54 0 - 6.7-7.0 QD2 LEU 119 - HA GLN 104 far 0 100 0 - 6.8-8.0 QD1 LEU 96 - HA LEU 98 far 0 31 0 - 6.8-7.6 QD1 LEU 122 - HA LEU 48 far 0 52 0 - 8.2-11.4 QG1 VAL 63 - HA LEU 98 far 0 47 0 - 8.2-9.2 QD2 LEU 49 - HA GLN 104 far 0 100 0 - 8.7-9.6 QD1 LEU 103 - HA LEU 98 far 0 45 0 - 8.8-10.1 QD1 LEU 96 - HA LEU 48 far 0 29 0 - 9.3-9.6 QD1 LEU 96 - HA GLN 104 far 0 65 0 - 9.4-10.4 QD2 LEU 49 - HA LEU 98 far 0 57 0 - 9.4-10.0 QD1 LEU 53 - HA GLN 104 far 0 100 0 - 9.9-11.7 Violated in 2 structures by 0.01 A. Peak 11434 from cnoeabs.peaks (0.95, 2.19, 29.39 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.98: QG1 VAL 105 + HB2 GLN 104 OK 98 99 100 99 3.5-4.0 7531/7523=67...(9) Violated in 0 structures by 0.00 A. Peak 11435 from cnoeabs.peaks (0.78, 2.19, 29.39 ppm; 5.05 A): 1 out of 7 assignments used, quality = 1.00: QG1 VAL 63 + HB2 GLN 104 OK 100 100 100 100 3.0-3.3 11522/3.0=89...(28) QD1 LEU 103 - HB2 GLN 104 far 0 100 0 - 6.0-6.9 QD1 LEU 122 - HB2 GLN 104 far 0 73 0 - 7.4-10.0 QD2 LEU 122 - HB2 GLN 104 far 0 100 0 - 7.6-9.6 QD2 LEU 119 - HB2 GLN 104 far 0 87 0 - 8.8-10.0 QD2 LEU 49 - HB2 GLN 104 far 0 93 0 - 9.6-10.2 QD1 LEU 96 - HB2 GLN 104 far 0 97 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 11436 from cnoeabs.peaks (0.78, 2.22, 29.39 ppm; 4.68 A): 1 out of 8 assignments used, quality = 1.00: QG1 VAL 63 + HB3 GLN 104 OK 100 100 100 100 1.7-1.9 11522/3.0=82...(30) QD1 LEU 103 - HB3 GLN 104 far 5 100 5 - 5.2-6.0 QD1 LEU 122 - HB3 GLN 104 far 0 65 0 - 6.1-8.6 QD2 LEU 122 - HB3 GLN 104 far 0 99 0 - 6.3-8.5 QD2 LEU 119 - HB3 GLN 104 far 0 81 0 - 7.7-8.9 QD2 LEU 49 - HB3 GLN 104 far 0 89 0 - 8.1-8.8 QD1 LEU 96 - HB3 GLN 104 far 0 99 0 - 8.3-9.3 QD1 LEU 53 - HB3 GLN 104 far 0 93 0 - 9.9-11.6 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 5 assignments used, quality = 0.99: QG2 VAL 63 + HB3 GLN 104 OK 99 99 100 100 1.9-2.5 11521/3.0=78...(28) QG1 VAL 118 - HB3 GLN 104 far 0 87 0 - 6.4-6.9 QD1 LEU 62 - HB3 GLN 104 far 0 100 0 - 8.0-8.6 QD1 LEU 119 - HB3 GLN 104 far 0 73 0 - 9.3-10.3 QD1 LEU 49 - HB3 GLN 104 far 0 100 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 11438 from cnoeabs.peaks (0.99, 2.22, 29.39 ppm; 5.05 A increased from 4.76 A): 2 out of 5 assignments used, quality = 0.93: QG2 VAL 105 + HB3 GLN 104 OK 80 89 90 100 5.3-5.8 10070/7494=75...(8) QG1 VAL 105 + HB3 GLN 104 OK 65 65 100 99 4.6-4.9 11516/1.8=81, ~11439=52...(8) QG2 VAL 118 - HB3 GLN 104 far 0 76 0 - 7.7-8.2 QD2 LEU 53 - HB3 GLN 104 far 0 83 0 - 8.8-11.1 QG2 VAL 126 - HB3 GLN 104 far 0 76 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 11439 from cnoeabs.peaks (1.00, 2.38, 34.44 ppm; 4.47 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 105 + HG2 GLN 104 OK 100 100 100 100 3.4-4.5 11529=88, 10070/7495=60...(13) QG2 VAL 118 - HG2 GLN 104 far 0 97 0 - 6.2-7.2 QD1 LEU 69 - HG2 GLU 128 far 0 78 0 - 7.6-8.5 Violated in 1 structures by 0.00 A. Peak 11440 from cnoeabs.peaks (0.91, 2.38, 34.44 ppm; 3.79 A): 1 out of 7 assignments used, quality = 1.00: QG2 VAL 63 + HG2 GLN 104 OK 100 100 100 100 2.8-4.0 10960=93, 2.1/11522=73...(25) QG1 VAL 118 - HG2 GLN 104 far 0 92 0 - 5.3-6.1 QD1 LEU 123 - HG2 GLU 128 far 0 74 0 - 7.7-8.5 QD1 LEU 62 - HG2 GLN 104 far 0 100 0 - 8.3-9.4 QD1 LEU 119 - HG2 GLN 104 far 0 65 0 - 9.2-10.4 QD1 LEU 49 - HG2 GLU 128 far 0 83 0 - 9.4-10.3 QD1 LEU 49 - HG2 GLN 104 far 0 100 0 - 9.5-11.5 Violated in 2 structures by 0.01 A. Peak 11441 from cnoeabs.peaks (0.78, 2.38, 34.44 ppm; 3.84 A): 1 out of 16 assignments used, quality = 0.99: QG1 VAL 63 + HG2 GLN 104 OK 99 99 100 100 1.8-3.8 9400=99, 2.1/11440=71...(22) HG12 ILE 129 - HG2 GLU 128 poor 19 48 40 - 2.4-6.4 QD1 LEU 103 - HG2 GLN 104 far 0 100 0 - 5.3-5.9 QD2 LEU 122 - HG2 GLN 104 far 0 97 0 - 5.9-7.7 QD2 LEU 96 - HG2 GLU 128 far 0 45 0 - 6.2-7.6 QG1 VAL 93 - HG2 GLU 128 far 0 48 0 - 7.2-8.4 QD1 LEU 96 - HG2 GLN 104 far 0 100 0 - 7.7-8.9 QD1 LEU 96 - HG2 GLU 128 far 0 82 0 - 7.7-9.2 QD2 LEU 43 - HG2 GLU 128 far 0 58 0 - 7.8-9.1 QD2 LEU 49 - HG2 GLN 104 far 0 83 0 - 7.8-9.4 QD2 LEU 119 - HG2 GLN 104 far 0 73 0 - 7.9-9.5 QD2 LEU 122 - HG2 GLU 128 far 0 78 0 - 8.2-11.3 QD1 LEU 53 - HG2 GLU 128 far 0 68 0 - 9.2-12.2 QD2 LEU 49 - HG2 GLU 128 far 0 62 0 - 9.3-10.4 QD2 LEU 96 - HG2 GLN 104 far 0 63 0 - 9.8-11.1 QD1 LEU 53 - HG2 GLN 104 far 0 89 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 11442 from cnoeabs.peaks (0.92, 2.47, 34.44 ppm; 4.69 A increased from 3.75 A): 1 out of 3 assignments used, quality = 0.97: QG2 VAL 63 + HG3 GLN 104 OK 97 97 100 100 3.8-4.7 10961=96, 11521/1.8=95...(22) QG1 VAL 118 - HG3 GLN 104 far 0 81 0 - 6.3-7.5 QD1 LEU 62 - HG3 GLN 104 far 0 99 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 11443 from cnoeabs.peaks (0.79, 2.47, 34.44 ppm; 4.03 A increased from 3.79 A): 1 out of 7 assignments used, quality = 1.00: QG1 VAL 63 + HG3 GLN 104 OK 100 100 100 100 2.2-3.9 9401=93, 11522/1.8=85...(20) QD1 LEU 103 - HG3 GLN 104 far 0 100 0 - 6.4-7.2 QD1 LEU 122 - HG3 GLN 104 far 0 83 0 - 6.6-9.5 QD2 LEU 122 - HG3 GLN 104 far 0 100 0 - 7.2-9.0 QD1 LEU 96 - HG3 GLN 104 far 0 92 0 - 8.5-9.8 QD2 LEU 49 - HG3 GLN 104 far 0 97 0 - 8.6-10.2 QD2 LEU 119 - HG3 GLN 104 far 0 93 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 11445 from cnoeabs.peaks (1.38, 2.19, 29.39 ppm; 6.80 A increased from 6.70 A): 1 out of 5 assignments used, quality = 1.00: HB3 LEU 100 + HB2 GLN 104 OK 100 100 100 100 6.3-6.8 10964/11435=86...(10) QB ALA 108 - HB2 GLN 104 lone 1 100 40 3 6.8-7.9 QB ALA 109 - HB2 GLN 104 far 0 99 0 - 8.9-9.6 QB ALA 110 - HB2 GLN 104 far 0 100 0 - 9.0-11.3 QB ALA 15 - HB2 GLN 104 far 0 100 0 - 9.2-35.4 Violated in 0 structures by 0.00 A. Peak 11446 from cnoeabs.peaks (0.65, 2.38, 34.44 ppm; 5.69 A): 2 out of 4 assignments used, quality = 0.91: QD1 ILE 129 + HG2 GLU 128 OK 74 74 100 100 3.5-4.9 10493/1.8=84...(14) QD2 LEU 100 + HG2 GLN 104 OK 67 71 100 95 3.5-4.8 10974/11522=56...(6) QD1 LEU 42 - HG2 GLU 128 far 0 62 0 - 8.8-9.8 QD2 LEU 62 - HG2 GLN 104 far 0 78 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 11448 from cnoeabs.peaks (8.23, 0.96, 20.99 ppm; 5.60 A increased from 5.27 A): 1 out of 3 assignments used, quality = 0.97: H SER 107 + QG1 VAL 105 OK 97 99 100 98 5.0-5.6 7543/7538=86...(9) H SER 107 - QG1 VAL 112 far 0 66 0 - 8.7-10.4 H VAL 63 - QG1 VAL 105 far 0 71 0 - 8.9-9.4 Violated in 2 structures by 0.00 A. Peak 11449 from cnoeabs.peaks (8.06, 1.00, 20.13 ppm; 4.75 A): 1 out of 4 assignments used, quality = 0.71: H LEU 103 + QG2 VAL 105 OK 71 71 100 100 3.2-3.6 3.6/10086=84...(13) H ALA 108 - QG2 VAL 105 far 7 73 10 - 5.2-5.9 H ALA 109 - QG2 VAL 105 far 0 68 0 - 7.0-8.3 H ALA 16 - QG2 VAL 105 far 0 65 0 - 9.6-39.3 Violated in 0 structures by 0.00 A. Peak 11451 from cnoeabs.peaks (7.37, 1.00, 20.13 ppm; 5.32 A increased from 4.73 A): 1 out of 1 assignment used, quality = 0.92: HE22 GLN 101 + QG2 VAL 105 OK 92 98 100 93 4.8-5.3 7439/10054=65...(5) Violated in 0 structures by 0.00 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; 6.63 A increased from 5.58 A): 1 out of 1 assignment used, quality = 0.95: HE21 GLN 101 + QG2 VAL 105 OK 95 95 100 100 5.5-6.7 1.7/11451=100...(5) Violated in 1 structures by 0.00 A. Peak 11454 from cnoeabs.peaks (8.09, 4.19, 62.60 ppm; 5.48 A increased from 5.16 A): 1 out of 3 assignments used, quality = 0.96: H ALA 108 + HA VAL 105 OK 96 99 100 97 4.7-5.4 2.9/10081=69, ~10084=39...(7) H LEU 103 - HA VAL 105 far 0 99 0 - 6.3-6.7 H ALA 109 - HA VAL 105 far 0 100 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 11455 from cnoeabs.peaks (1.69, 1.00, 20.13 ppm; 4.28 A): 0 out of 1 assignment used, quality = 0.00: HG LEU 98 - QG2 VAL 105 far 0 85 0 - 8.4-10.0 Violated in 20 structures by 5.21 A. Peak 11456 from cnoeabs.peaks (2.10, 1.00, 20.13 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.93: HB2 GLU 102 + QG2 VAL 105 OK 93 93 100 100 3.4-4.2 3.0/10086=81...(15) Violated in 0 structures by 0.00 A. Peak 11457 from cnoeabs.peaks (2.39, 1.00, 20.13 ppm; 3.87 A): 2 out of 2 assignments used, quality = 0.93: HG2 GLN 104 + QG2 VAL 105 OK 87 93 95 98 3.4-4.5 11439=58, 10085/2.1=46...(13) HG2 GLN 101 + QG2 VAL 105 OK 45 57 85 92 3.6-6.0 1.8/10054=44...(12) Violated in 0 structures by 0.00 A. Peak 11458 from cnoeabs.peaks (4.45, 1.00, 20.13 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.99: HA SER 106 + QG2 VAL 105 OK 99 99 100 100 3.3-3.6 11466=99, 2.9/7539=86...(14) Violated in 0 structures by 0.00 A. Peak 11459 from cnoeabs.peaks (3.96, 1.00, 20.13 ppm; 4.26 A): 2 out of 5 assignments used, quality = 1.00: HB2 SER 106 + QG2 VAL 105 OK 99 100 100 99 3.4-4.0 3.0/11466=67...(16) HB3 SER 106 + QG2 VAL 105 OK 88 89 100 99 3.4-4.1 3.0/11466=67...(14) HB3 SER 107 - QG2 VAL 105 far 0 100 0 - 5.1-6.6 HA LEU 100 - QG2 VAL 105 far 0 100 0 - 5.7-6.1 HD3 PRO 117 - QG2 VAL 105 far 0 98 0 - 7.3-9.0 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 2 assignments used, quality = 0.00: H ALA 110 - HA SER 106 far 0 99 0 - 7.4-10.7 H GLY 111 - HA SER 106 far 0 100 0 - 9.2-12.2 Violated in 20 structures by 4.99 A. Peak 11461 from cnoeabs.peaks (8.06, 4.46, 58.89 ppm; 5.10 A increased from 4.80 A): 1 out of 3 assignments used, quality = 0.84: H ALA 108 + HA SER 106 OK 84 85 100 98 3.0-5.0 2.9/11465=83...(8) H ALA 109 - HA SER 106 poor 16 81 20 - 4.6-7.3 H LEU 103 - HA SER 106 far 0 83 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. Peak 11462 from cnoeabs.peaks (7.60, 3.97, 63.90 ppm; 6.29 A): 3 out of 3 assignments used, quality = 0.91: H VAL 105 + HB2 SER 106 OK 72 78 100 91 4.5-6.5 7535/4.0=77...(4) H VAL 105 + HB3 SER 106 OK 56 62 100 92 5.1-6.1 7535/4.0=77...(4) H VAL 105 + HB3 SER 107 OK 28 53 100 54 4.1-6.1 4.7/7481=32...(3) 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 3 assignments used, quality = 0.92: H VAL 105 + HB3 SER 106 OK 83 90 100 92 5.1-6.1 7535/4.0=81...(5) H VAL 105 + HB2 SER 106 OK 54 73 80 92 4.5-6.5 7535/4.0=81...(4) H VAL 105 - HB3 SER 107 poor 18 37 100 48 4.1-6.1 7499/7481=25...(3) 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 3 assignments used, quality = 0.85: QB ALA 108 + HA SER 106 OK 85 93 100 91 3.3-3.9 11883=53, 2.9/11461=47...(8) QB ALA 109 - HA SER 106 far 0 87 0 - 5.5-7.5 QB ALA 110 - HA SER 106 far 0 96 0 - 8.3-10.8 Violated in 0 structures by 0.00 A. Peak 11466 from cnoeabs.peaks (1.00, 4.46, 58.89 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 105 + HA SER 106 OK 100 100 100 100 3.3-3.6 11530=93, 7539/2.9=65...(14) QG2 VAL 118 - HA SER 106 far 0 99 0 - 5.8-6.8 Violated in 0 structures by 0.00 A. Peak 11467 from cnoeabs.peaks (0.90, 4.46, 58.89 ppm; 4.64 A): 0 out of 4 assignments used, quality = 0.00: QG2 VAL 63 - HA SER 106 far 0 95 0 - 7.0-8.2 QG1 VAL 118 - HA SER 106 far 0 100 0 - 7.1-7.9 QG2 VAL 112 - HA SER 106 far 0 68 0 - 8.1-10.0 QD1 LEU 62 - HA SER 106 far 0 90 0 - 9.9-11.3 Violated in 20 structures by 1.88 A. Peak 11468 from cnoeabs.peaks (0.73, 4.46, 58.89 ppm; 5.80 A): 0 out of 1 assignment used, quality = 0.00: QD2 LEU 103 - HA SER 106 far 0 99 0 - 7.9-8.6 Violated in 20 structures by 2.39 A. Peak 11470 from cnoeabs.peaks (1.14, 3.96, 63.62 ppm; 5.09 A): 0 out of 6 assignments used, quality = 0.00: QG2 THR 115 - HB3 SER 107 far 10 100 10 - 5.5-7.5 HB3 LEU 62 - HB3 SER 107 far 5 98 5 - 5.7-8.9 QG2 THR 115 - HB3 SER 106 far 2 46 5 - 5.5-8.6 QG2 THR 115 - HB2 SER 106 far 0 76 0 - 5.7-8.2 HB3 LEU 62 - HB3 SER 106 far 0 43 0 - 9.3-13.2 HB3 LEU 62 - HB2 SER 106 far 0 72 0 - 9.9-12.4 Violated in 17 structures by 0.43 A. Peak 11473 from cnoeabs.peaks (2.06, 3.96, 63.62 ppm; 6.60 A increased from 5.28 A): 6 out of 17 assignments used, quality = 1.00: HB VAL 118 + HB3 SER 107 OK 99 100 100 99 4.2-6.9 11548/10106=75...(13) HB VAL 118 + HB2 SER 106 OK 76 76 100 100 4.8-7.2 2.1/10105=100...(13) HB2 LEU 62 + HB3 SER 107 OK 61 100 85 72 5.8-8.2 9395/10106=56...(3) HB VAL 118 + HB3 SER 106 OK 39 46 85 100 5.1-7.5 ~10105=98, ~11854=32...(11) HB2 GLU 102 + HB2 SER 106 OK 26 45 90 66 4.7-7.7 11695/10105=22...(11) HG2 PRO 117 + HB2 SER 106 OK 25 76 80 41 6.4-8.1 11530/10105=34...(3) HB2 GLU 102 - HB3 SER 106 poor 14 25 100 55 5.2-6.7 ~2130=18, ~10091=11...(8) HB2 GLU 102 - HB3 SER 107 far 3 68 5 - 7.1-10.6 HG2 PRO 117 - HB3 SER 106 lone 3 46 65 9 6.6-7.6 3750/10270=4, 10202/10210=2 HG3 PRO 117 - HB3 SER 106 far 0 45 0 - 7.3-8.4 HG3 PRO 117 - HB2 SER 106 far 0 75 0 - 7.5-8.8 HG2 PRO 58 - HB3 SER 107 far 0 60 0 - 7.8-10.8 HG2 PRO 117 - HB3 SER 107 far 0 100 0 - 7.8-10.9 HG3 PRO 58 - HB3 SER 107 far 0 90 0 - 8.8-12.0 HG3 PRO 117 - HB3 SER 107 far 0 100 0 - 9.2-12.3 HB2 LEU 62 - HB3 SER 106 far 0 46 0 - 9.4-12.9 HB2 LEU 62 - HB2 SER 106 far 0 76 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 11475 from cnoeabs.peaks (6.59, 4.39, 58.42 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.98: HD21 ASN 59 + HA SER 107 OK 98 99 100 99 1.9-5.0 11786=77, 11482/3.6=61...(10) Violated in 0 structures by 0.00 A. Peak 11479 from cnoeabs.peaks (8.02, 2.12, 32.23 ppm; 4.30 A): 0 out of 1 assignment used, quality = 0.00: H VAL 57 - HB VAL 112 far 0 89 0 - 6.5-8.0 Violated in 20 structures by 3.19 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 5.3-6.6 11492/2.1=94...(5) Violated in 4 structures by 0.01 A. Peak 11488 from cnoeabs.peaks (0.79, 1.38, 19.17 ppm; 3.30 A increased from 3.10 A): 1 out of 29 assignments used, quality = 0.83: QD1 ILE 32 + QB ALA 29 OK 83 84 100 99 2.9-3.3 3.2/10790=44...(25) QD1 ILE 32 - QB ALA 28 far 13 86 15 - 3.8-4.9 QD2 LEU 119 - QB ALA 109 far 4 86 5 - 3.6-4.6 QD1 LEU 70 - QB ALA 15 far 3 70 5 - 2.0-26.0 QD1 LEU 103 - QB ALA 109 far 0 81 0 - 4.0-4.9 QG2 ILE 80 - QB ALA 15 far 0 82 0 - 5.0-28.9 QD1 LEU 103 - QB ALA 108 far 0 96 0 - 5.8-6.3 QD1 ILE 37 - QB ALA 15 far 0 91 0 - 5.9-23.6 QD2 LEU 119 - QB ALA 110 far 0 99 0 - 6.6-8.1 QD1 LEU 96 - QB ALA 15 far 0 77 0 - 6.7-30.2 QG2 ILE 129 - QB ALA 15 far 0 62 0 - 7.0-30.0 QD1 LEU 103 - QB ALA 110 far 0 95 0 - 7.1-8.4 QD1 ILE 37 - QB ALA 29 far 0 88 0 - 7.2-9.2 QD2 LEU 119 - QB ALA 108 far 0 99 0 - 7.4-8.0 QG1 VAL 63 - QB ALA 108 far 0 97 0 - 7.6-8.5 QD2 LEU 122 - QB ALA 109 far 0 86 0 - 7.9-10.4 QG1 VAL 63 - QB ALA 109 far 0 82 0 - 7.9-8.8 QD1 LEU 122 - QB ALA 109 far 0 79 0 - 8.2-10.7 QD1 LEU 122 - QB ALA 15 far 0 94 0 - 8.3-31.7 QD2 LEU 122 - QB ALA 15 far 0 98 0 - 8.4-31.9 QD1 LEU 53 - QB ALA 109 far 0 88 0 - 8.4-10.4 HG13 ILE 80 - QB ALA 15 far 0 56 0 - 8.5-33.7 QG1 VAL 63 - QB ALA 110 far 0 96 0 - 8.5-10.4 QD2 LEU 49 - QB ALA 15 far 0 100 0 - 8.5-31.8 QG1 VAL 63 - QB ALA 15 far 0 96 0 - 8.7-29.2 QD1 ILE 32 - QB ALA 15 far 0 88 0 - 8.7-20.8 QD2 LEU 122 - QB ALA 108 far 0 99 0 - 9.3-11.7 QD1 LEU 122 - QB ALA 108 far 0 95 0 - 9.4-11.8 QD2 LEU 49 - QB ALA 109 far 0 88 0 - 9.9-10.7 Violated in 0 structures by 0.00 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 2 assignments used, quality = 0.00: H GLY 114 - QG2 VAL 112 far 0 99 0 - 6.3-7.2 H HIS 5 - QG2 VAL 112 far 0 60 0 - 8.0-55.4 Violated in 20 structures by 2.27 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 4.7-5.0 11518=87, 7591/11563=83...(11) Violated in 0 structures by 0.00 A. Peak 11493 from cnoeabs.peaks (4.29, 0.92, 20.16 ppm; 4.27 A): 3 out of 5 assignments used, quality = 0.99: HA ALA 109 + QG2 VAL 112 OK 93 93 100 100 2.6-3.4 2.1/11548=94, 11771=74...(13) HB THR 115 + QG2 VAL 112 OK 89 89 100 100 3.3-4.8 2.1/11553=93...(19) HA ALA 110 + QG2 VAL 112 OK 27 99 35 78 4.4-5.5 3.6/10121=37...(8) HA ALA 108 - QG2 VAL 112 far 0 93 0 - 6.3-7.2 HA GLN 61 - QG2 VAL 112 far 0 97 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 11494 from cnoeabs.peaks (1.93, 4.42, 59.99 ppm; 4.55 A increased from 4.28 A): 2 out of 3 assignments used, quality = 1.00: HG2 PRO 113 + HA VAL 112 OK 100 100 100 100 4.4-4.4 11568=99, 2.3/3569=98...(37) HB2 PRO 113 + HA VAL 112 OK 89 89 100 100 4.8-4.8 3.0/3569=91, 3.0/3567=90...(39) HB2 PRO 58 - HA VAL 112 far 0 78 0 - 7.8-9.2 Violated in 0 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 = 0.87: HG2 PRO 113 + QG1 VAL 112 OK 81 81 100 100 3.7-3.8 2.3/10125=84...(37) HB2 PRO 113 + QG1 VAL 112 OK 35 100 35 100 4.6-4.7 3.0/10125=73...(40) HB2 MET 11 - QG1 VAL 105 far 0 62 0 - 9.3-30.9 Violated in 0 structures by 0.00 A. Peak 11496 from cnoeabs.peaks (1.39, 0.92, 20.16 ppm; 3.20 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 109 + QG2 VAL 112 OK 100 100 100 100 1.7-2.0 10732=99, 2.1/11771=45...(20) QB ALA 110 - QG2 VAL 112 poor 20 100 20 - 3.5-4.4 QB ALA 108 - QG2 VAL 112 far 0 100 0 - 5.4-6.2 Violated in 0 structures by 0.00 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 1.8-2.9 10185=87, 11499/2.1=85...(21) HB3 LEU 62 - HB VAL 112 far 0 97 0 - 8.9-11.5 Violated in 0 structures by 0.00 A. Peak 11498 from cnoeabs.peaks (1.12, 4.42, 59.99 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.89: QG2 THR 115 + HA VAL 112 OK 89 89 100 100 4.1-4.7 11553/3557=84...(20) Violated in 0 structures by 0.00 A. Peak 11499 from cnoeabs.peaks (1.13, 0.97, 20.69 ppm; 3.07 A): 1 out of 3 assignments used, quality = 1.00: QG2 THR 115 + QG1 VAL 112 OK 100 100 100 100 1.6-2.9 10194=67, 11553/2.1=60...(20) QG2 THR 115 - QG1 VAL 105 far 0 69 0 - 9.4-11.1 HB3 LEU 62 - QG1 VAL 112 far 0 97 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 11500 from cnoeabs.peaks (1.13, 0.92, 20.16 ppm; 3.25 A): 1 out of 2 assignments used, quality = 0.99: QG2 THR 115 + QG2 VAL 112 OK 99 100 100 99 2.4-3.3 11499/2.1=69...(18) HB3 LEU 62 - QG2 VAL 112 far 0 97 0 - 8.0-10.6 Violated in 2 structures by 0.01 A. Peak 11503 from cnoeabs.peaks (0.98, 3.94, 50.95 ppm; 4.25 A): 2 out of 7 assignments used, quality = 0.96: QG1 VAL 112 + HD3 PRO 113 OK 93 93 100 100 2.9-3.0 11557/1.8=91, 10124=89...(33) QG2 VAL 118 + HD3 PRO 117 OK 36 39 100 92 3.2-3.6 4.0/7638=39...(13) QG1 VAL 112 - HD3 PRO 117 far 0 64 0 - 7.2-8.4 QG2 VAL 105 - HD3 PRO 117 far 0 51 0 - 7.3-9.0 QD2 LEU 53 - HD3 PRO 117 far 0 63 0 - 8.3-9.4 QD2 LEU 53 - HD3 PRO 113 far 0 92 0 - 9.0-11.0 QG1 VAL 105 - HD3 PRO 117 far 0 51 0 - 9.8-11.3 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 2 assignments used, quality = 0.93: QG1 VAL 112 + HD2 PRO 113 OK 93 93 100 100 1.6-1.7 10125=90, 10124/1.8=79...(32) QD2 LEU 53 - HD2 PRO 113 far 0 92 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 11506 from cnoeabs.peaks (0.93, 4.37, 63.85 ppm; 5.31 A increased from 4.72 A): 2 out of 5 assignments used, quality = 1.00: QG2 VAL 112 + HA PRO 113 OK 99 99 100 100 5.8-5.8 10137/3.6=86...(14) QD1 LEU 119 + HA PRO 113 OK 96 97 100 98 3.1-5.2 10160/7591=92...(6) QD1 LEU 62 - HA PRO 113 lone 0 87 25 2 4.7-7.2 QG1 VAL 57 - HA PRO 113 far 0 89 0 - 6.3-8.5 QG2 VAL 63 - HA PRO 113 far 0 81 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 11507 from cnoeabs.peaks (0.97, 4.37, 63.85 ppm; 4.72 A): 1 out of 3 assignments used, quality = 0.99: QG1 VAL 112 + HA PRO 113 OK 99 99 100 100 4.1-4.3 10125/3.6=78...(14) QD2 LEU 53 - HA PRO 113 far 0 98 0 - 6.3-8.4 QG1 VAL 57 - HA PRO 113 far 0 65 0 - 6.3-8.5 Violated in 0 structures by 0.00 A. Peak 11508 from cnoeabs.peaks (4.43, 2.27, 31.81 ppm; 5.86 A): 2 out of 6 assignments used, quality = 1.00: HA VAL 112 + HB3 PRO 113 OK 99 99 100 100 5.5-5.5 3566/3.0=99, 3568/3.0=99...(40) HA THR 115 + HB3 PRO 113 OK 62 63 100 99 4.9-6.3 ~10189=62, ~10189=55...(12) HA THR 54 - HB3 PRO 113 far 0 100 0 - 7.6-10.3 HA PRO 58 - HB3 PRO 113 far 0 68 0 - 8.8-11.0 HA HIS 5 - HB VAL 105 far 0 68 0 - 9.0-51.1 HA ASN 120 - HB3 PRO 113 far 0 100 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 11509 from cnoeabs.peaks (4.42, 1.93, 27.46 ppm; 4.87 A): 1 out of 3 assignments used, quality = 1.00: HA VAL 112 + HG2 PRO 113 OK 100 100 100 100 4.4-4.4 3569/2.3=100...(37) HA THR 115 - HG2 PRO 113 far 0 81 0 - 5.6-7.3 HA THR 54 - HG2 PRO 113 far 0 100 0 - 9.5-12.2 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 14 assignments used, quality = 1.00: HA VAL 112 + HG3 PRO 113 OK 100 100 100 100 4.3-4.4 3566/2.3=100...(33) HA THR 115 + HG3 PRO 113 OK 87 87 100 100 4.0-5.6 3.0/10189=81, 11939=59...(10) HA HIS 5 - HB2 GLN 127 far 0 64 0 - 6.1-62.2 HA HIS 5 - HG3 PRO 117 far 0 81 0 - 6.9-60.1 HA HIS 5 - HG2 PRO 117 far 0 87 0 - 6.9-58.5 HA THR 115 - HG3 PRO 117 far 0 67 0 - 7.7-8.5 HA THR 115 - HG2 PRO 117 far 0 73 0 - 8.3-8.8 HA VAL 112 - HG3 PRO 58 far 0 59 0 - 8.6-10.0 HA ASN 120 - HG2 PRO 117 far 0 88 0 - 8.7-8.9 HA ASN 120 - HB2 GLN 127 far 0 66 0 - 9.0-9.4 HA ASN 120 - HG3 PRO 117 far 0 82 0 - 9.6-9.8 HA SER 9 - HB2 GLN 127 far 0 41 0 - 9.6-54.3 HA THR 54 - HB2 GLN 127 far 0 66 0 - 9.8-11.7 HA THR 54 - HG3 PRO 113 far 0 100 0 - 9.8-12.4 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 3 assignments used, quality = 1.00: HB VAL 112 + HD2 PRO 113 OK 100 100 100 100 3.6-3.8 10130=100, 2.1/10125=86...(39) HB2 PRO 56 - HD2 PRO 113 far 0 83 0 - 7.0-8.7 HB VAL 57 - HD2 PRO 113 far 0 68 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 11512 from cnoeabs.peaks (2.13, 3.94, 50.95 ppm; 4.83 A increased from 4.29 A): 1 out of 3 assignments used, quality = 0.94: HB VAL 112 + HD3 PRO 113 OK 94 95 100 100 4.7-4.8 4.8=100 HB2 PRO 56 - HD3 PRO 113 far 5 100 5 - 5.3-7.1 HB VAL 112 - HD3 PRO 117 far 0 66 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 11515 from cnoeabs.peaks (4.37, 4.12, 45.18 ppm; 4.44 A increased from 4.18 A): 2 out of 4 assignments used, quality = 1.00: HA PRO 113 + HA3 GLY 114 OK 100 100 100 100 4.3-4.4 10150=96, 7591/2.9=93...(8) HA THR 115 + HA3 GLY 114 OK 65 68 95 100 4.5-5.2 5.0=70, ~7603=54...(11) HA PRO 117 - HA3 GLY 114 far 0 99 0 - 5.1-7.2 HA SER 107 - HA3 GLY 114 far 0 95 0 - 8.9-12.1 Violated in 0 structures by 0.00 A. Peak 11516 from cnoeabs.peaks (4.37, 3.88, 45.18 ppm; 4.79 A increased from 3.83 A): 2 out of 4 assignments used, quality = 1.00: HA PRO 113 + HA2 GLY 114 OK 100 100 100 100 4.4-4.8 7591/2.9=97...(8) HA THR 115 + HA2 GLY 114 OK 60 60 100 100 4.4-4.6 3.0/7603=88, 5.0=88...(13) HA PRO 117 - HA2 GLY 114 far 0 100 0 - 5.8-6.4 HA SER 107 - HA2 GLY 114 far 0 90 0 - 9.1-11.1 Violated in 0 structures by 0.00 A. Peak 11520 from cnoeabs.peaks (8.37, 4.40, 61.68 ppm; 4.67 A): 0 out of 1 assignment used, quality = 0.00: H HIS 3 - HA THR 115 far 0 96 0 - 6.1-69.3 Violated in 20 structures by 34.52 A. Peak 11521 from cnoeabs.peaks (8.36, 4.27, 69.69 ppm; 5.41 A): 0 out of 1 assignment used, quality = 0.00: H HIS 3 - HB THR 115 far 0 93 0 - 8.5-67.3 Violated in 20 structures by 33.86 A. 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 4.5-5.2 5.0=97, 1.8/10175=86...(11) Violated in 4 structures by 0.02 A. Peak 11523 from cnoeabs.peaks (0.96, 4.40, 61.68 ppm; 4.42 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 112 + HA THR 115 OK 100 100 100 100 3.4-4.3 11499/3645=83...(23) QD1 LEU 119 + HA THR 115 OK 73 73 100 100 4.3-4.7 10230/3638=41, ~10195=41...(16) QD2 LEU 53 - HA THR 115 far 0 100 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 11525 from cnoeabs.peaks (0.95, 4.97, 51.55 ppm; 4.85 A): 1 out of 4 assignments used, quality = 0.99: QD1 LEU 119 + HA ASN 116 OK 99 99 100 100 3.3-3.5 10295/3.0=82...(34) QG1 VAL 112 - HA ASN 116 far 0 83 0 - 5.5-6.5 QG2 VAL 112 - HA ASN 116 far 0 73 0 - 6.6-7.2 QD2 LEU 53 - HA ASN 116 far 0 85 0 - 7.8-9.1 Violated in 0 structures by 0.00 A. Peak 11526 from cnoeabs.peaks (1.87, 2.85, 38.95 ppm; 6.56 A): 1 out of 1 assignment used, quality = 1.00: HB3 LEU 119 + HB2 ASN 116 OK 100 100 100 100 4.8-6.0 3.0/10227=99...(26) Violated in 0 structures by 0.00 A. Peak 11527 from cnoeabs.peaks (2.04, 2.85, 38.95 ppm; 6.32 A): 3 out of 5 assignments used, quality = 1.00: HG3 PRO 117 + HB2 ASN 116 OK 100 100 100 100 6.4-6.8 2.3/10240=89, ~10239=85...(24) HG2 PRO 117 + HB2 ASN 116 OK 99 99 100 100 5.8-6.2 2.3/10240=89, ~10239=85...(27) HB VAL 118 + HB2 ASN 116 OK 97 97 100 100 4.3-4.7 11624/10227=81...(15) HG3 PRO 113 - HB2 ASN 116 far 0 92 0 - 7.0-9.6 HB2 LEU 62 - HB2 ASN 116 far 0 97 0 - 7.8-8.7 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 4 assignments used, quality = 0.99: QG2 VAL 118 + HB3 PRO 117 OK 99 100 100 99 4.0-4.2 3748/4.3=63, 3750/2.3=37...(17) QG2 VAL 105 - HB VAL 63 far 0 42 0 - 7.9-8.7 QG2 VAL 118 - HB VAL 63 far 0 43 0 - 8.6-9.5 QG2 VAL 105 - HB3 PRO 117 far 0 100 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 11529 from cnoeabs.peaks (1.13, 2.05, 27.30 ppm; 5.39 A): 3 out of 11 assignments used, quality = 0.98: QG2 THR 115 + HG3 PRO 113 OK 84 84 100 100 3.8-6.0 2.1/10189=83...(9) QG1 VAL 132 + HG3 ARG 135 OK 65 65 100 100 2.2-3.2 11875/4.0=81...(43) QG2 VAL 132 + HG3 ARG 135 OK 64 64 100 100 4.0-4.7 3.2/10526=71, ~10527=63...(42) HG2 LYS 39 - HG3 PRO 81 poor 13 100 40 32 3.7-9.0 11778/10574=22, 1174=4...(7) HG3 LYS 39 - HG3 PRO 81 far 7 73 10 - 5.0-7.8 QG1 VAL 132 - HG3 PRO 81 far 5 100 5 - 5.9-8.3 QG2 THR 115 - HG2 PRO 117 far 0 100 0 - 6.6-7.0 QG2 THR 115 - HG3 PRO 117 far 0 100 0 - 6.6-7.1 QG2 VAL 132 - HG3 PRO 81 far 0 99 0 - 8.0-10.0 HG2 LYS 39 - HG3 ARG 135 far 0 65 0 - 8.2-10.8 HG3 LYS 39 - HG3 ARG 135 far 0 41 0 - 8.6-9.7 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 10 assignments used, quality = 0.99: QG2 VAL 118 + HG3 PRO 117 OK 85 89 100 95 4.2-4.5 11590/2.3=63...(11) QG2 VAL 118 + HG2 PRO 117 OK 84 88 100 96 2.6-2.9 11590/2.3=63...(14) QG1 VAL 112 + HG3 PRO 113 OK 53 53 100 100 2.9-3.0 11557/2.3=76...(38) QG2 VAL 105 - HG2 PRO 117 far 0 96 0 - 7.6-8.9 QD2 LEU 53 - HG2 PRO 117 far 0 67 0 - 8.6-9.5 QG2 VAL 105 - HG3 PRO 117 far 0 97 0 - 8.7-10.1 QD2 LEU 53 - HG3 PRO 113 far 0 51 0 - 8.9-11.3 QG1 VAL 112 - HG2 PRO 117 far 0 70 0 - 9.1-10.2 QG1 VAL 112 - HG3 PRO 117 far 0 71 0 - 9.2-10.2 QD2 LEU 53 - HG3 PRO 117 far 0 68 0 - 9.4-10.5 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 2.8-5.3 1.7/10204=99, ~10278=93...(16) 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 2.9-4.5 1.7/10278=100, ~10204=74...(12) Violated in 0 structures by 0.00 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 3.2-3.8 1.7/10332=98...(33) HE21 GLN 61 - QG2 VAL 118 far 0 97 0 - 9.9-14.8 Violated in 0 structures by 0.00 A. Peak 11534 from cnoeabs.peaks (8.28, 1.01, 22.19 ppm; 5.97 A increased from 5.30 A): 1 out of 6 assignments used, quality = 0.99: H SER 99 + QG2 VAL 118 OK 99 99 100 100 5.3-5.9 2.9/10271=97, ~11599=77...(6) H LEU 123 - QG2 VAL 118 far 0 73 0 - 7.3-7.9 H ALA 110 - QG2 VAL 118 far 0 89 0 - 9.0-11.5 H LEU 96 - QG2 VAL 118 far 0 98 0 - 9.0-9.7 H GLY 111 - QG2 VAL 118 far 0 85 0 - 9.1-11.3 H VAL 126 - QG2 VAL 118 far 0 99 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 11535 from cnoeabs.peaks (7.91, 0.90, 21.66 ppm; 4.79 A increased from 4.26 A): 2 out of 5 assignments used, quality = 1.00: HD22 ASN 116 + QG1 VAL 118 OK 99 99 100 100 3.7-5.1 10204/2.1=76...(12) H GLN 104 + QG1 VAL 118 OK 93 95 100 99 4.3-4.8 3.6/11836=73...(10) H SER 106 - QG1 VAL 118 far 5 97 5 - 5.3-6.0 H THR 115 - QG1 VAL 118 far 0 100 0 - 8.0-9.6 H VAL 112 - QG1 VAL 118 far 0 71 0 - 8.5-10.5 Violated in 0 structures by 0.00 A. Peak 11537 from cnoeabs.peaks (4.04, 0.90, 21.66 ppm; 3.74 A): 2 out of 9 assignments used, quality = 0.97: HA LEU 119 + QG1 VAL 118 OK 87 95 100 93 3.3-3.7 ~7648=32, ~3753=31...(13) HA LEU 103 + QG1 VAL 118 OK 78 78 100 100 2.7-3.3 11836=66, 3.0/11705=40...(17) HA GLU 102 - QG1 VAL 118 far 0 96 0 - 4.7-5.6 HA LEU 122 - QG1 VAL 118 far 0 97 0 - 4.7-5.4 HA LEU 96 - QG1 VAL 118 far 0 100 0 - 5.4-6.0 HA SER 60 - QG1 VAL 118 far 0 60 0 - 6.9-8.3 HA LYS 95 - QG1 VAL 118 far 0 85 0 - 7.5-8.2 HB3 SER 124 - QG1 VAL 118 far 0 98 0 - 8.1-8.7 HB THR 65 - QG1 VAL 118 far 0 65 0 - 8.1-9.1 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 1 assignment used, quality = 1.00: HB3 ASN 121 + QG1 VAL 118 OK 100 100 100 100 2.8-3.3 1.8/11602=96...(27) Violated in 0 structures by 0.00 A. Peak 11539 from cnoeabs.peaks (2.79, 0.90, 21.66 ppm; 4.87 A): 1 out of 4 assignments used, quality = 0.93: HB2 ASN 121 + QG1 VAL 118 OK 93 93 100 100 3.1-3.6 1.8/11601=89...(34) HB3 ASN 120 - QG1 VAL 118 far 0 90 0 - 6.1-6.4 HB2 ASN 120 - QG1 VAL 118 far 0 90 0 - 6.9-7.4 HB3 ASP 64 - QG1 VAL 118 far 0 89 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 11540 from cnoeabs.peaks (2.96, 1.01, 22.19 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.98: HB3 ASN 121 + QG2 VAL 118 OK 96 96 100 100 3.7-4.7 1.8/11604=79...(28) HB3 ASN 116 + QG2 VAL 118 OK 59 60 100 98 3.3-3.9 3.5/10278=65...(13) Violated in 0 structures by 0.00 A. Peak 11541 from cnoeabs.peaks (2.80, 1.01, 22.19 ppm; 4.63 A increased from 4.36 A): 1 out of 3 assignments used, quality = 1.00: HB2 ASN 121 + QG2 VAL 118 OK 100 100 100 100 3.9-4.6 11602/2.1=80...(30) HB3 ASN 120 - QG2 VAL 118 far 0 100 0 - 6.3-6.6 HB2 ASN 120 - QG2 VAL 118 far 0 100 0 - 7.4-7.9 Violated in 1 structures by 0.00 A. Peak 11542 from cnoeabs.peaks (4.38, 2.06, 31.53 ppm; 5.84 A increased from 4.67 A): 2 out of 4 assignments used, quality = 0.99: HA PRO 117 + HB VAL 118 OK 93 93 100 100 5.6-5.8 3.6/3736=95, ~11590=78...(10) HA SER 107 + HB VAL 118 OK 83 99 95 88 4.5-6.5 10272/2.1=45...(11) HA THR 115 - HB VAL 118 far 0 83 0 - 9.1-9.3 HA PRO 113 - HB VAL 118 far 0 98 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 11543 from cnoeabs.peaks (2.97, 2.06, 31.53 ppm; 5.96 A): 1 out of 1 assignment used, quality = 0.99: HB3 ASN 121 + HB VAL 118 OK 99 99 100 100 4.7-5.7 11601/2.1=98...(27) Violated in 0 structures by 0.00 A. Peak 11544 from cnoeabs.peaks (2.82, 2.06, 31.53 ppm; 6.17 A increased from 5.48 A): 1 out of 3 assignments used, quality = 0.90: HB2 ASN 121 + HB VAL 118 OK 90 90 100 100 4.8-6.0 11602/2.1=96...(30) HB3 ASN 120 - HB VAL 118 far 14 93 15 - 6.7-6.9 HB2 ASN 120 - HB VAL 118 far 0 93 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 11545 from cnoeabs.peaks (2.22, 1.01, 22.19 ppm; 4.02 A increased from 3.78 A): 1 out of 6 assignments used, quality = 0.95: HB3 GLU 102 + QG2 VAL 118 OK 95 96 100 100 2.5-3.9 3.0/10266=67...(16) HB2 GLN 101 - QG2 VAL 118 far 0 97 0 - 7.1-8.5 HB3 GLN 104 - QG2 VAL 118 far 0 100 0 - 7.7-8.2 HB2 GLN 104 - QG2 VAL 118 far 0 63 0 - 8.2-8.7 HB3 GLU 97 - QG2 VAL 118 far 0 100 0 - 9.3-10.5 HB3 LEU 96 - QG2 VAL 118 far 0 85 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 11546 from cnoeabs.peaks (2.22, 0.90, 21.66 ppm; 4.70 A increased from 4.17 A): 1 out of 5 assignments used, quality = 1.00: HB3 GLU 102 + QG1 VAL 118 OK 100 100 100 100 4.0-4.7 11545/2.1=87...(23) HB3 GLN 104 - QG1 VAL 118 far 0 100 0 - 6.4-6.9 HB2 GLN 101 - QG1 VAL 118 far 0 87 0 - 6.8-7.8 HB3 LEU 96 - QG1 VAL 118 far 0 96 0 - 7.7-8.3 HB3 GLU 97 - QG1 VAL 118 far 0 99 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 11547 from cnoeabs.peaks (0.78, 3.81, 65.23 ppm; 5.33 A): 3 out of 8 assignments used, quality = 1.00: QD1 LEU 103 + HA VAL 118 OK 100 100 100 100 4.2-5.3 10265/3749=95...(29) QD2 LEU 122 + HA VAL 118 OK 99 100 100 99 3.5-5.4 10307/3734=47...(22) QD1 LEU 122 + HA VAL 118 OK 50 78 65 98 4.3-6.5 4.3/7718=54...(20) QD2 LEU 119 - HA VAL 118 far 0 90 0 - 6.2-6.5 QD1 LEU 53 - HA VAL 118 far 0 98 0 - 6.8-8.2 QD1 LEU 96 - HA VAL 118 far 0 95 0 - 7.4-8.2 QD2 LEU 49 - HA VAL 118 far 0 96 0 - 7.8-8.7 QG1 VAL 63 - HA VAL 118 far 0 100 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 11548 from cnoeabs.peaks (0.78, 2.06, 31.53 ppm; 3.56 A): 1 out of 8 assignments used, quality = 1.00: QD1 LEU 103 + HB VAL 118 OK 100 100 100 100 1.9-2.7 10265/2.1=68, 10069=59...(33) QD2 LEU 122 - HB VAL 118 far 15 99 15 - 3.7-6.3 QD2 LEU 119 - HB VAL 118 far 0 81 0 - 4.5-4.9 QD1 LEU 122 - HB VAL 118 far 0 65 0 - 5.2-6.7 QD1 LEU 53 - HB VAL 118 far 0 93 0 - 7.1-8.4 QG1 VAL 63 - HB VAL 118 far 0 100 0 - 7.5-8.2 QD2 LEU 49 - HB VAL 118 far 0 89 0 - 7.8-8.6 QD1 LEU 96 - HB VAL 118 far 0 99 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 11549 from cnoeabs.peaks (0.79, 0.90, 21.66 ppm; 3.02 A): 3 out of 9 assignments used, quality = 1.00: QD1 LEU 103 + QG1 VAL 118 OK 98 99 100 99 1.8-3.0 10265/2.1=49...(25) QD2 LEU 122 + QG1 VAL 118 OK 81 100 100 81 1.7-3.6 11481/11482=20...(21) QD1 LEU 122 + QG1 VAL 118 OK 47 89 70 76 2.8-4.6 4.3/11748=20...(20) QD2 LEU 119 - QG1 VAL 118 far 0 97 0 - 4.4-4.8 QD1 LEU 96 - QG1 VAL 118 far 0 87 0 - 5.2-5.8 QG1 VAL 63 - QG1 VAL 118 far 0 99 0 - 5.3-5.9 QD1 LEU 53 - QG1 VAL 118 far 0 100 0 - 5.4-6.4 QD2 LEU 49 - QG1 VAL 118 far 0 99 0 - 5.4-6.2 QD1 LEU 70 - QG1 VAL 118 far 0 60 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 11551 from cnoeabs.peaks (7.95, 1.87, 40.68 ppm; 5.54 A): 0 out of 2 assignments used, quality = 0.00: H VAL 112 - HB3 LEU 119 far 0 92 0 - 7.5-9.4 H SER 124 - HB3 LEU 119 far 0 100 0 - 7.6-8.2 Violated in 20 structures by 1.55 A. Peak 11552 from cnoeabs.peaks (8.26, 1.87, 40.68 ppm; 4.79 A): 0 out of 2 assignments used, quality = 0.00: H LEU 123 - HB3 LEU 119 far 0 100 0 - 5.9-6.3 H SER 107 - HB3 LEU 119 far 0 57 0 - 9.1-10.9 Violated in 20 structures by 1.34 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 3.1-3.9 10222=85, 3.5/10295=56...(15) H THR 115 + QD1 LEU 119 OK 78 78 100 99 2.3-3.8 10166=44, 3.6/10163=43...(14) H VAL 112 - QD1 LEU 119 poor 12 99 40 30 4.5-6.1 11501/10194=10...(5) H SER 106 - QD1 LEU 119 far 0 63 0 - 7.9-9.1 H SER 124 - QD1 LEU 119 far 0 85 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 11554 from cnoeabs.peaks (2.96, 1.87, 40.68 ppm; 5.80 A): 1 out of 2 assignments used, quality = 0.65: HB3 ASN 116 + HB3 LEU 119 OK 65 65 100 100 4.2-6.2 1.8/10224=87, ~10294=77...(23) HB3 ASN 121 - HB3 LEU 119 poor 19 93 25 80 6.3-7.5 7700/10317=32...(9) Violated in 1 structures by 0.02 A. Peak 11556 from cnoeabs.peaks (4.40, 0.94, 25.07 ppm; 4.68 A increased from 4.41 A): 3 out of 7 assignments used, quality = 1.00: HA THR 115 + QD1 LEU 119 OK 100 100 100 100 4.3-4.7 3636/10296=70...(16) HA PRO 113 + QD1 LEU 119 OK 53 63 100 84 3.1-5.2 3.6/10160=64...(5) HA SER 107 + QD1 LEU 119 OK 34 96 45 80 4.7-5.8 3.0/10110=42, ~10111=32...(8) HA VAL 112 - QD1 LEU 119 far 4 78 5 - 5.2-6.3 HA ASN 120 - QD1 LEU 119 far 0 71 0 - 5.4-5.6 HA THR 54 - QD1 LEU 119 far 0 73 0 - 7.3-9.0 HA HIS 5 - QD1 LEU 119 far 0 97 0 - 9.8-49.9 Violated in 0 structures by 0.00 A. Peak 11557 from cnoeabs.peaks (2.06, 0.94, 25.07 ppm; 4.40 A increased from 4.14 A): 1 out of 9 assignments used, quality = 0.98: HB VAL 118 + QD1 LEU 119 OK 98 99 100 99 3.6-4.4 10258/2.1=69...(15) HG3 PRO 113 - QD1 LEU 119 far 0 100 0 - 5.1-7.0 HG2 PRO 117 - QD1 LEU 119 far 0 97 0 - 5.4-5.9 HB2 LEU 62 - QD1 LEU 119 far 0 99 0 - 5.7-6.3 HG3 PRO 117 - QD1 LEU 119 far 0 93 0 - 6.1-6.4 HB VAL 57 - QD1 LEU 119 far 0 71 0 - 7.3-8.0 HB2 GLU 102 - QD1 LEU 119 far 0 89 0 - 7.7-10.7 HG3 PRO 58 - QD1 LEU 119 far 0 99 0 - 9.4-10.3 HB3 GLU 55 - QD1 LEU 119 far 0 76 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 11558 from cnoeabs.peaks (7.92, 0.80, 23.00 ppm; 5.55 A): 3 out of 5 assignments used, quality = 1.00: HD22 ASN 116 + QD2 LEU 119 OK 100 100 100 100 3.4-5.0 10222/2.1=98...(13) H THR 115 + QD2 LEU 119 OK 96 97 100 100 3.9-5.8 10166/2.1=60...(12) H VAL 112 + QD2 LEU 119 OK 36 85 100 42 3.6-5.5 11501/10195=27...(3) H GLN 104 - QD2 LEU 119 far 0 85 0 - 6.6-8.3 H SER 106 - QD2 LEU 119 far 0 89 0 - 7.7-9.3 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 1.6-1.9 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 3.3-3.7 7738=100, 3.9/3813=53...(16) H VAL 126 - HA ASN 120 far 0 57 0 - 7.5-7.7 Violated in 0 structures by 0.00 A. Peak 11561 from cnoeabs.peaks (2.80, 4.37, 64.81 ppm; 3.55 A): 1 out of 3 assignments used, quality = 0.98: HB3 ASN 120 + HA PRO 117 OK 98 100 100 98 3.2-3.5 11625=88, 3.8/11562=36...(8) HB2 ASN 120 - HA PRO 117 far 0 100 0 - 4.8-5.1 HB2 ASN 121 - HA PRO 117 far 0 100 0 - 5.1-7.5 Violated in 0 structures by 0.00 A. Peak 11563 from cnoeabs.peaks (4.36, 2.80, 37.77 ppm; 3.97 A): 1 out of 8 assignments used, quality = 1.00: HA PRO 117 + HB3 ASN 120 OK 100 100 100 100 3.2-3.5 11561=100, 11562/3.8=46...(8) HA PRO 117 - HB2 ASN 120 far 0 100 0 - 4.8-5.1 HA PRO 117 - HB2 ASN 121 far 0 99 0 - 5.1-7.5 HA CYS 125 - HB2 ASN 121 far 0 98 0 - 6.9-9.1 HA PRO 113 - HB3 ASN 120 far 0 98 0 - 8.9-10.8 HA CYS 125 - HB2 ASN 120 far 0 99 0 - 9.0-9.8 HA SER 107 - HB2 ASN 121 far 0 70 0 - 9.2-11.9 HA ASN 59 - HB2 ASN 121 far 0 59 0 - 10.0-11.6 Violated in 0 structures by 0.00 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 3.0-4.2 3927=100, 1.8/3813=88...(16) HB3 LEU 119 + HA ASN 120 OK 95 96 100 99 4.1-4.3 7665/2.9=72...(15) 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 5 assignments used, quality = 0.94: QD2 LEU 123 + HA ASN 120 OK 94 95 100 100 2.7-3.3 11632=57, 3.2/3813=53...(16) QD1 LEU 62 - HA ASN 120 far 0 90 0 - 4.9-5.8 QG1 VAL 118 - HA ASN 120 far 0 100 0 - 6.2-6.5 QD1 LEU 49 - HA ASN 120 far 0 92 0 - 8.9-9.4 QG2 VAL 63 - HA ASN 120 far 0 95 0 - 9.8-10.2 Violated in 0 structures by 0.00 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 2.1-2.6 3918=100, 1.8/3927=83...(15) HG LEU 119 - HA ASN 120 far 0 71 0 - 6.4-6.5 HG LEU 62 - HA ASN 120 far 0 100 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 11567 from cnoeabs.peaks (4.42, 1.57, 26.72 ppm; 5.35 A): 1 out of 7 assignments used, quality = 1.00: HA ASN 120 + HG LEU 123 OK 100 100 100 100 3.7-4.3 11628/2.1=99...(14) HA SER 33 - HG2 ARG 23 far 2 46 5 - 5.9-18.9 HA THR 54 - HG LEU 123 far 0 100 0 - 6.6-8.4 HA HIS 5 - HG LEU 123 far 0 97 0 - 8.1-60.0 HA ASP 71 - HG2 ARG 23 far 0 74 0 - 8.9-23.8 HA SER 9 - HG2 ARG 23 far 0 41 0 - 9.1-36.5 HA ASN 120 - HG LEU 49 far 0 77 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 11568 from cnoeabs.peaks (4.42, 0.93, 23.65 ppm; 5.23 A increased from 4.92 A): 2 out of 6 assignments used, quality = 1.00: HA ASN 120 + QD1 LEU 123 OK 100 100 100 100 4.7-5.0 11628/2.1=98...(16) HA THR 54 + QD1 LEU 123 OK 30 100 30 100 5.6-6.4 9277/2.1=80, ~11583=63...(7) HA HIS 5 - QD1 LEU 123 far 0 97 0 - 6.7-50.3 HA ASN 120 - QD1 LEU 49 far 0 53 0 - 8.9-9.4 HA ASP 71 - QD1 LEU 49 far 0 52 0 - 9.1-9.9 HA THR 54 - QD2 LEU 48 far 0 43 0 - 9.9-10.9 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 4 assignments used, quality = 1.00: HA ASN 120 + QD2 LEU 123 OK 95 95 100 100 2.7-3.3 11565=84, 3813/3.2=62...(16) HA THR 54 + QD2 LEU 123 OK 94 96 100 98 3.6-5.0 1698/11583=77, 9277=61...(8) HA HIS 5 - QD2 LEU 123 far 0 100 0 - 7.7-50.2 HA THR 115 - QD2 LEU 123 far 0 97 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 11571 from cnoeabs.peaks (0.78, 1.65, 41.23 ppm; 3.83 A): 1 out of 7 assignments used, quality = 0.89: QD1 LEU 53 + HB2 LEU 123 OK 89 97 95 96 2.7-4.6 11639/3.2=62...(16) QD1 LEU 122 - HB2 LEU 123 far 4 76 5 - 3.8-6.9 QD2 LEU 49 - HB2 LEU 123 far 0 95 0 - 5.3-6.5 QD2 LEU 122 - HB2 LEU 123 far 0 100 0 - 5.4-6.4 QD2 LEU 119 - HB2 LEU 123 far 0 89 0 - 6.5-7.5 QD1 LEU 96 - HB2 LEU 123 far 0 96 0 - 6.8-7.8 QD1 LEU 103 - HB2 LEU 123 far 0 100 0 - 7.8-9.0 Violated in 1 structures by 0.04 A. Peak 11573 from cnoeabs.peaks (4.22, 1.65, 41.23 ppm; 4.90 A increased from 4.61 A): 1 out of 4 assignments used, quality = 0.89: HA SER 124 + HB2 LEU 123 OK 89 89 100 100 4.3-4.8 2.9/7763=84, ~7764=60...(15) HA SER 51 - HB2 LEU 123 far 0 99 0 - 8.2-9.7 HA SER 99 - HB2 LEU 123 far 0 99 0 - 9.6-11.1 HA GLU 128 - HB2 LEU 123 far 0 65 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 11574 from cnoeabs.peaks (8.07, 0.88, 25.36 ppm; 4.52 A): 0 out of 3 assignments used, quality = 0.00: H ASN 120 - QD2 LEU 123 far 5 99 5 - 5.0-5.7 H CYS 125 - QD2 LEU 123 far 0 68 0 - 5.7-6.2 H LEU 48 - QD2 LEU 123 far 0 73 0 - 8.8-9.5 Violated in 20 structures by 0.55 A. Peak 11575 from cnoeabs.peaks (6.80, 0.88, 25.36 ppm; 5.13 A increased from 4.83 A): 2 out of 2 assignments used, quality = 0.90: HE21 GLN 127 + QD2 LEU 123 OK 76 76 100 100 4.8-5.1 ~10434=81, ~10433=65...(9) HD22 ASN 120 + QD2 LEU 123 OK 60 68 95 93 4.4-6.7 4.4/11565=63...(7) Violated in 0 structures by 0.00 A. Peak 11576 from cnoeabs.peaks (7.46, 0.93, 23.65 ppm; 4.70 A): 1 out of 7 assignments used, quality = 0.95: HE22 GLN 127 + QD1 LEU 123 OK 95 95 100 100 1.8-2.4 10434=87, 1.7/10431=82...(13) HE22 GLN 127 - QD1 LEU 49 far 2 46 5 - 5.2-9.1 H LEU 62 - QD1 LEU 49 far 0 25 0 - 7.6-8.1 H LEU 42 - QD1 LEU 49 far 0 35 0 - 8.8-9.5 HE22 GLN 127 - QD2 LEU 48 far 0 37 0 - 9.3-11.7 H LEU 42 - QD2 LEU 48 far 0 28 0 - 9.4-11.1 H LEU 62 - QD1 LEU 123 far 0 60 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 11577 from cnoeabs.peaks (6.80, 0.93, 23.65 ppm; 5.85 A): 2 out of 6 assignments used, quality = 0.82: HE21 GLN 127 + QD1 LEU 123 OK 76 76 100 100 2.8-3.8 1.7/11576=99...(12) QE TYR 72 + QD1 LEU 49 OK 26 49 85 63 5.9-6.9 2.2/11137=34...(7) HE21 GLN 127 - QD1 LEU 49 far 2 34 5 - 4.2-10.4 HD22 ASN 120 - QD1 LEU 123 far 0 68 0 - 6.8-8.0 QE TYR 72 - QD2 LEU 48 far 0 39 0 - 7.1-8.2 HE21 GLN 127 - QD2 LEU 48 far 0 27 0 - 8.0-12.9 Violated in 0 structures by 0.00 A. Peak 11578 from cnoeabs.peaks (2.48, 0.93, 23.65 ppm; 3.93 A): 1 out of 8 assignments used, quality = 1.00: HG3 GLN 127 + QD1 LEU 123 OK 100 100 100 100 1.8-2.1 10437=99, 1.8/11579=79...(19) HG3 GLU 44 - QD2 LEU 48 far 0 21 0 - 6.3-8.5 HG3 GLN 127 - QD1 LEU 49 far 0 52 0 - 6.3-8.2 HG2 GLU 55 - QD2 LEU 48 far 0 34 0 - 6.7-8.1 HG2 GLU 55 - QD1 LEU 123 far 0 90 0 - 7.8-9.4 HG3 GLU 44 - QD1 LEU 49 far 0 27 0 - 8.6-9.3 HG2 GLU 55 - QD1 LEU 49 far 0 43 0 - 9.0-11.1 HG3 GLN 127 - QD2 LEU 48 far 0 42 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 11579 from cnoeabs.peaks (2.36, 0.93, 23.65 ppm; 3.75 A): 1 out of 8 assignments used, quality = 1.00: HG2 GLN 127 + QD1 LEU 123 OK 100 100 100 100 3.1-3.5 10727=88, 1.8/10437=77...(19) HG2 GLN 127 - QD1 LEU 49 far 0 52 0 - 6.0-8.3 HG2 GLU 44 - QD2 LEU 48 far 0 28 0 - 6.6-8.7 HG2 GLU 44 - QD1 LEU 49 far 0 35 0 - 7.2-9.7 HG2 GLU 128 - QD1 LEU 123 far 0 92 0 - 7.7-8.5 HG2 GLN 127 - QD2 LEU 48 far 0 42 0 - 8.9-12.3 HG2 GLU 128 - QD1 LEU 49 far 0 44 0 - 9.4-10.3 HG2 GLN 104 - QD1 LEU 49 far 0 35 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 11580 from cnoeabs.peaks (2.78, 0.88, 25.36 ppm; 4.91 A): 2 out of 3 assignments used, quality = 0.81: HB2 ASN 120 + QD2 LEU 123 OK 68 68 100 100 3.8-4.8 3.0/11565=76, ~11567=41...(23) HB3 ASN 120 + QD2 LEU 123 OK 41 68 60 100 4.9-5.6 3.0/11565=76...(22) HB2 ASN 121 - QD2 LEU 123 far 0 73 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 11581 from cnoeabs.peaks (2.48, 0.88, 25.36 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.97: HG3 GLN 127 + QD2 LEU 123 OK 97 97 100 100 3.9-4.6 11637/2.1=97, ~11579=75...(21) HG2 GLU 55 - QD2 LEU 123 far 0 97 0 - 6.5-8.3 Violated in 0 structures by 0.00 A. Peak 11582 from cnoeabs.peaks (2.34, 0.88, 25.36 ppm; 6.04 A increased from 5.08 A): 1 out of 2 assignments used, quality = 0.90: HG2 GLN 127 + QD2 LEU 123 OK 90 90 100 100 5.4-6.0 1.8/11581=98, ~10437=94...(19) HB2 PRO 117 - QD2 LEU 123 far 0 76 0 - 9.4-10.0 Violated in 1 structures by 0.00 A. Peak 11583 from cnoeabs.peaks (1.25, 0.88, 25.36 ppm; 3.45 A): 1 out of 2 assignments used, quality = 0.88: QG2 THR 54 + QD2 LEU 123 OK 88 99 100 89 2.1-3.5 9275=45, 11640/2.1=39...(8) QG2 THR 65 - QD2 LEU 123 far 0 87 0 - 7.4-8.0 Violated in 2 structures by 0.00 A. Peak 11584 from cnoeabs.peaks (1.25, 0.93, 23.65 ppm; 3.20 A): 3 out of 6 assignments used, quality = 0.79: QG2 THR 54 + QD1 LEU 123 OK 56 99 70 81 3.1-4.3 11583/2.1=58, 9275=22...(9) QG2 THR 65 + QD1 LEU 49 OK 38 39 100 97 1.7-1.8 9431/2.1=46...(24) QG2 THR 65 + QD2 LEU 48 OK 22 31 80 87 3.0-4.0 9441/2.1=33...(17) QG2 THR 65 - QD1 LEU 123 far 0 85 0 - 6.5-7.1 QG2 THR 54 - QD2 LEU 48 far 0 41 0 - 6.6-7.8 QG2 THR 54 - QD1 LEU 49 far 0 51 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 11587 from cnoeabs.peaks (0.89, 4.24, 61.64 ppm; 5.77 A): 3 out of 9 assignments used, quality = 1.00: QD2 LEU 123 + HA SER 124 OK 100 100 100 100 4.4-5.1 7766/2.9=90, ~7765=70...(18) QD2 LEU 98 + HA SER 94 OK 86 87 100 98 3.6-5.2 11438/3.0=74...(6) QD1 LEU 98 + HA SER 94 OK 42 58 90 80 5.1-7.0 ~11438=54, 11469/4.9=33...(4) QD1 LEU 49 - HA SER 124 far 0 76 0 - 8.4-9.1 QD1 LEU 62 - HA SER 124 far 0 73 0 - 8.8-10.0 QG1 VAL 118 - HA SER 124 far 0 97 0 - 9.3-9.9 QD2 LEU 69 - HA SER 124 far 0 83 0 - 9.4-10.2 QG2 VAL 20 - HA SER 94 far 0 95 0 - 9.7-28.7 QG1 VAL 118 - HA SER 94 far 0 91 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 11588 from cnoeabs.peaks (0.76, 4.24, 61.64 ppm; 5.70 A): 2 out of 9 assignments used, quality = 0.99: QG1 VAL 93 + HA SER 94 OK 89 89 100 100 2.8-3.0 7283/2.9=94, 9963=93...(24) QD2 LEU 96 + HA SER 94 OK 87 87 100 100 4.3-5.8 3098/7334=66...(12) QD1 LEU 96 - HA SER 94 far 0 91 0 - 6.4-7.0 QD2 LEU 122 - HA SER 94 far 0 63 0 - 7.1-9.6 HG12 ILE 129 - HA SER 124 far 0 96 0 - 7.1-8.4 QD2 LEU 122 - HA SER 124 far 0 71 0 - 7.4-8.4 QD1 LEU 96 - HA SER 124 far 0 97 0 - 7.6-8.2 QD2 LEU 96 - HA SER 124 far 0 95 0 - 8.0-9.0 HG12 ILE 129 - HA SER 94 far 0 89 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 11589 from cnoeabs.peaks (4.00, 4.35, 62.64 ppm; 4.29 A increased from 4.03 A): 1 out of 6 assignments used, quality = 0.92: HB2 SER 124 + HA CYS 125 OK 92 98 100 94 4.0-4.3 7780/2.9=63, 11813=51...(5) HB3 SER 124 - HA CYS 125 far 0 71 0 - 5.4-5.7 HA LYS 95 - HA CYS 125 far 0 92 0 - 7.0-7.9 HB3 SER 99 - HA CYS 125 far 0 100 0 - 8.4-9.5 HA GLU 91 - HA CYS 125 far 0 73 0 - 8.5-9.5 HA SER 50 - HA CYS 125 far 0 99 0 - 8.8-9.8 Violated in 2 structures by 0.00 A. Peak 11590 from cnoeabs.peaks (4.20, 4.35, 62.64 ppm; 4.38 A): 0 out of 3 assignments used, quality = 0.00: HA GLU 128 - HA CYS 125 far 0 99 0 - 5.3-5.7 HA ALA 88 - HA CYS 125 far 0 100 0 - 9.0-10.1 HA SER 94 - HA CYS 125 far 0 60 0 - 9.1-9.7 Violated in 20 structures by 1.05 A. Peak 11591 from cnoeabs.peaks (1.65, 4.35, 62.64 ppm; 5.69 A): 0 out of 6 assignments used, quality = 0.00: HD2 LYS 95 - HA CYS 125 poor 20 99 20 - 4.6-8.5 HD3 LYS 95 - HA CYS 125 poor 19 95 20 - 5.1-8.3 HB2 LEU 123 - HA CYS 125 far 0 100 0 - 7.2-7.6 QB ALA 88 - HA CYS 125 far 0 92 0 - 7.5-8.5 HB2 LEU 69 - HA CYS 125 far 0 76 0 - 8.8-9.3 HB2 LEU 98 - HA CYS 125 far 0 99 0 - 8.8-10.2 Violated in 15 structures by 0.12 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 85 87 100 98 4.7-6.5 ~11597=41, ~11658=40...(15) HB2 LYS 95 + HA CYS 125 OK 80 81 100 100 4.1-5.2 9948/10376=81...(15) HG LEU 53 - HA CYS 125 far 0 78 0 - 9.1-10.9 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 3.7-4.9 11698=100, 3.0/3986=95...(15) HG3 GLU 97 - HA CYS 125 far 0 100 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 11594 from cnoeabs.peaks (2.36, 4.35, 62.64 ppm; 6.17 A): 2 out of 2 assignments used, quality = 0.98: HG2 GLU 128 + HA CYS 125 OK 97 97 100 100 3.2-5.2 1.8/11698=100...(15) HG2 GLN 127 + HA CYS 125 OK 34 98 40 88 4.3-8.3 4067/7839=54, ~10359=32...(9) Violated in 0 structures by 0.00 A. Peak 11595 from cnoeabs.peaks (1.63, 2.74, 27.12 ppm; 5.42 A increased from 5.10 A): 2 out of 6 assignments used, quality = 0.92: HB2 LEU 122 + HB2 CYS 125 OK 87 87 100 100 4.0-5.5 1.8/11653=62...(21) HG LEU 122 + HB2 CYS 125 OK 43 78 55 99 5.5-7.2 ~9498=56, ~9498=56...(13) HD2 LYS 95 - HB2 CYS 125 far 7 65 10 - 5.0-8.3 HB2 LEU 123 - HB2 CYS 125 far 0 76 0 - 6.1-7.8 HB2 LEU 98 - HB2 CYS 125 far 0 71 0 - 6.9-8.6 HG LEU 70 - HB2 CYS 125 far 0 92 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 11596 from cnoeabs.peaks (1.92, 2.74, 27.12 ppm; 5.43 A): 2 out of 5 assignments used, quality = 0.98: HB2 LYS 95 + HB2 CYS 125 OK 87 89 100 98 3.2-5.0 11597/1.8=52, ~11658=36...(16) HB3 LYS 95 + HB2 CYS 125 OK 81 83 100 98 3.9-5.4 11597/1.8=44, ~11597=41...(16) HB3 LEU 123 - HB2 CYS 125 far 0 47 0 - 6.8-8.5 HB3 LEU 49 - HB2 CYS 125 far 0 100 0 - 6.9-7.9 HG LEU 53 - HB2 CYS 125 far 0 90 0 - 7.4-10.3 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 = 0.96: HB2 LYS 95 + HB3 CYS 125 OK 86 93 95 97 3.6-5.5 11447=38, 1.8/11447=35...(17) HB3 LYS 95 + HB3 CYS 125 OK 73 89 85 97 4.4-6.0 1.8/11447=37, 11447=36...(19) HB3 LEU 123 - HB3 CYS 125 far 0 42 0 - 6.8-8.4 HB3 LEU 49 - HB3 CYS 125 far 0 99 0 - 6.9-8.7 HG LEU 53 - HB3 CYS 125 far 0 95 0 - 7.7-10.3 HB2 MET 11 - HB3 CYS 125 far 0 100 0 - 9.3-45.4 HB3 ARG 90 - HB3 CYS 125 far 0 63 0 - 9.7-12.5 Violated in 0 structures by 0.00 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 3.8-4.2 7855/4006=84...(20) H GLN 68 - HA VAL 126 far 0 71 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 11599 from cnoeabs.peaks (8.44, 0.96, 22.68 ppm; 5.57 A): 1 out of 3 assignments used, quality = 0.89: H ASP 47 + QG1 VAL 126 OK 89 89 100 100 4.2-4.4 3.7/10409=96...(13) H LEU 70 - QG1 VAL 126 far 0 71 0 - 6.2-6.8 H VAL 93 - QG1 VAL 126 far 0 99 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 11600 from cnoeabs.peaks (8.52, 0.96, 22.68 ppm; 4.65 A): 1 out of 4 assignments used, quality = 0.97: H ALA 46 + QG1 VAL 126 OK 97 97 100 100 4.2-4.6 3.1/10409=91, ~11680=44...(18) H GLU 97 - QG1 VAL 126 far 0 73 0 - 7.9-8.5 H HIS 5 - QG1 VAL 126 far 0 100 0 - 9.3-49.3 H HIS 4 - QG1 VAL 126 far 0 100 0 - 10.0-52.2 Violated in 0 structures by 0.00 A. Peak 11601 from cnoeabs.peaks (8.66, 0.96, 22.68 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: H SER 50 + QG1 VAL 126 OK 100 100 100 100 2.5-3.1 11785=100, 6620/11615=34...(16) H HIS 67 - QG1 VAL 126 far 0 100 0 - 7.1-7.5 H HIS 8 - QG1 VAL 126 far 0 100 0 - 9.9-46.2 Violated in 0 structures by 0.00 A. Peak 11602 from cnoeabs.peaks (8.02, 0.96, 22.68 ppm; 4.18 A): 3 out of 5 assignments used, quality = 0.99: H SER 130 + QG1 VAL 126 OK 93 95 100 98 3.9-4.2 10497=61, 7883/11618=43...(12) H ILE 129 + QG1 VAL 126 OK 65 83 80 98 4.2-5.0 3.8/11691=52...(11) H LEU 48 + QG1 VAL 126 OK 43 76 60 95 4.5-4.9 3.6/11665=40...(11) H CYS 125 - QG1 VAL 126 far 0 81 0 - 5.6-5.7 H ALA 52 - QG1 VAL 126 far 0 99 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 11603 from cnoeabs.peaks (8.03, 0.96, 23.84 ppm; 4.66 A increased from 4.14 A): 1 out of 5 assignments used, quality = 0.97: H CYS 125 + QG2 VAL 126 OK 97 97 100 100 4.3-4.6 7792/4021=79...(20) H SER 130 - QG2 VAL 126 far 0 100 0 - 5.6-6.1 H LEU 48 - QG2 VAL 126 far 0 96 0 - 6.6-6.8 H ALA 52 - QG2 VAL 126 far 0 100 0 - 7.2-7.9 H TYR 76 - QG2 VAL 126 far 0 97 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 11604 from cnoeabs.peaks (4.05, 0.96, 22.68 ppm; 5.89 A increased from 4.96 A): 2 out of 7 assignments used, quality = 0.99: HA LEU 122 + QG1 VAL 126 OK 99 100 100 99 5.5-6.3 10397/2.1=63...(12) HB THR 65 + QG1 VAL 126 OK 43 93 100 47 5.5-6.0 9422/11613=44...(3) HA LEU 96 - QG1 VAL 126 far 0 97 0 - 6.5-6.9 HA GLU 44 - QG1 VAL 126 far 0 100 0 - 7.1-7.4 HB3 SER 124 - QG1 VAL 126 far 0 78 0 - 7.9-8.2 HA LEU 119 - QG1 VAL 126 far 0 68 0 - 8.4-8.9 HA ALA 92 - QG1 VAL 126 far 0 100 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 11605 from cnoeabs.peaks (4.21, 3.97, 58.71 ppm; 4.73 A increased from 4.45 A): 2 out of 5 assignments used, quality = 0.97: HA GLU 128 + HA GLN 127 OK 88 89 100 100 4.7-4.7 4.9=92, ~4048=38...(13) HA ALA 88 + HA GLU 91 OK 71 71 100 100 5.0-5.3 2868/3.0=74, 2860/3.0=74...(10) HA SER 124 - HA GLN 127 far 0 65 0 - 5.7-6.0 HA SER 94 - HA GLU 91 far 0 58 0 - 6.1-6.4 HA SER 51 - HA GLN 127 far 0 100 0 - 8.2-9.6 Violated in 0 structures by 0.00 A. Peak 11606 from cnoeabs.peaks (4.24, 2.35, 33.92 ppm; 3.76 A increased from 3.54 A): 3 out of 17 assignments used, quality = 0.99: HA GLN 27 + HG2 GLN 27 OK 85 85 100 100 2.1-3.7 3.7=100 HA GLN 27 + HG3 GLN 27 OK 84 84 100 100 2.8-4.2 3.7=100 HA SER 124 + HG2 GLN 127 OK 38 100 40 94 2.7-6.0 4049/4062=51...(11) HA ALA 29 - HG2 GLN 27 poor 19 75 25 - 3.9-7.3 HA LYS 26 - HG2 GLN 27 poor 13 52 25 - 3.2-6.5 HA LYS 26 - HG3 GLN 27 poor 10 51 20 - 4.0-7.5 HA ALA 29 - HG3 GLN 27 far 7 74 10 - 4.1-8.4 HA ALA 28 - HG2 GLN 27 far 4 84 5 - 4.3-6.6 HA LEU 22 - HG3 GLN 27 far 0 53 0 - 4.5-17.6 HA ALA 28 - HG3 GLN 27 far 0 83 0 - 4.6-7.1 HA GLU 30 - HG3 GLN 27 far 0 69 0 - 5.1-11.3 HA LEU 22 - HG2 GLN 27 far 0 54 0 - 5.3-16.1 HA GLU 30 - HG2 GLN 27 far 0 70 0 - 6.0-10.2 HA SER 51 - HG2 GLN 127 far 0 68 0 - 7.0-10.4 HA LYS 19 - HG3 GLN 27 far 0 55 0 - 7.1-19.2 HA LYS 19 - HG2 GLN 27 far 0 56 0 - 7.8-20.1 HA ALA 34 - HG2 GLN 27 far 0 68 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 11607 from cnoeabs.peaks (4.24, 2.49, 33.92 ppm; 4.96 A increased from 4.66 A): 1 out of 2 assignments used, quality = 0.99: HA SER 124 + HG3 GLN 127 OK 99 100 100 100 1.8-4.9 4049/3.0=80, 3966/3.0=67...(9) HA SER 51 - HG3 GLN 127 far 0 68 0 - 6.7-9.4 Violated in 0 structures by 0.00 A. Peak 11608 from cnoeabs.peaks (3.84, 2.49, 33.92 ppm; 5.30 A): 2 out of 3 assignments used, quality = 1.00: HA LEU 123 + HG3 GLN 127 OK 99 100 100 99 3.9-4.5 4.0/10437=81...(9) HB2 SER 50 + HG3 GLN 127 OK 99 99 100 99 1.9-4.6 4037/3.8=58...(14) HB2 SER 130 - HG3 GLN 127 far 0 78 0 - 6.3-9.4 Violated in 0 structures by 0.00 A. Peak 11609 from cnoeabs.peaks (3.85, 2.35, 33.92 ppm; 5.01 A): 2 out of 4 assignments used, quality = 1.00: HB2 SER 50 + HG2 GLN 127 OK 97 99 100 98 2.0-5.2 4037/4060=54...(14) HA LEU 123 + HG2 GLN 127 OK 86 100 90 95 5.0-5.9 4.0/11579=73...(8) HB2 SER 130 - HG2 GLN 127 far 11 73 15 - 4.8-8.3 HB3 SER 33 - HG3 GLN 27 far 0 82 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 11610 from cnoeabs.peaks (0.91, 2.23, 27.80 ppm; 5.35 A): 2 out of 6 assignments used, quality = 0.96: QD1 LEU 123 + HB3 GLN 127 OK 89 89 100 100 1.8-2.4 10436/1.8=97...(14) QD2 LEU 123 + HB3 GLN 127 OK 68 68 100 100 4.4-5.0 ~10436=76, ~10437=67...(22) QD1 LEU 49 - HB3 GLN 127 far 0 100 0 - 6.2-7.4 QD1 LEU 62 - HB3 GLN 127 far 0 100 0 - 8.5-9.8 QD2 LEU 48 - HB3 GLN 127 far 0 100 0 - 9.3-11.4 QD1 LEU 48 - HB3 GLN 127 far 0 95 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 11611 from cnoeabs.peaks (0.94, 3.97, 58.71 ppm; 4.52 A): 2 out of 8 assignments used, quality = 1.00: QD1 LEU 123 + HA GLN 127 OK 97 97 100 100 3.9-4.1 11579/4060=64...(15) QG1 VAL 126 + HA GLN 127 OK 85 85 100 100 3.2-3.5 10394=64, 4020/2.9=56...(20) QG2 VAL 126 - HA GLN 127 far 0 68 0 - 5.4-5.4 QD1 LEU 49 - HA GLN 127 far 0 71 0 - 5.6-6.5 QD2 LEU 53 - HA GLN 127 far 0 60 0 - 8.1-9.1 QD2 LEU 48 - HA GLN 127 far 0 60 0 - 8.8-10.3 QD1 LEU 48 - HA GLN 127 far 0 93 0 - 9.2-10.2 QD1 LEU 62 - HA GLN 127 far 0 73 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 11613 from cnoeabs.peaks (0.81, 0.96, 22.68 ppm; 3.17 A increased from 2.98 A): 2 out of 11 assignments used, quality = 0.92: QD2 LEU 49 + QG1 VAL 126 OK 89 97 100 92 2.7-3.1 11681/2.1=55...(13) QD1 LEU 53 + QG1 VAL 126 OK 23 93 60 42 3.5-5.1 6621/11785=14...(9) QD1 LEU 122 - QG1 VAL 126 far 0 100 0 - 4.0-5.7 QG2 ILE 129 - QG1 VAL 126 far 0 93 0 - 4.5-5.0 QD2 LEU 122 - QG1 VAL 126 far 0 81 0 - 5.3-6.6 QG1 VAL 133 - QG1 VAL 126 far 0 60 0 - 7.2-8.1 QD1 LEU 70 - QG1 VAL 126 far 0 97 0 - 7.5-8.0 QG1 VAL 63 - QG1 VAL 126 far 0 71 0 - 8.5-9.0 QD2 LEU 119 - QG1 VAL 126 far 0 99 0 - 8.6-9.1 QD1 LEU 103 - QG1 VAL 126 far 0 68 0 - 9.0-9.7 QD1 ILE 37 - QG1 VAL 126 far 0 60 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 11614 from cnoeabs.peaks (0.80, 0.96, 23.84 ppm; 2.79 A): 3 out of 11 assignments used, quality = 0.95: QD2 LEU 49 + QG2 VAL 126 OK 86 100 100 86 1.8-1.9 11676/2.1=41...(13) QD1 LEU 96 + QG2 VAL 126 OK 48 68 100 70 1.7-2.0 4.0/11689=19...(19) QD1 LEU 122 + QG2 VAL 126 OK 36 98 65 56 2.4-3.7 3.8/10397=22...(9) QD2 LEU 122 - QG2 VAL 126 poor 16 97 25 67 3.1-4.8 3.9/10397=21...(10) QD1 LEU 53 - QG2 VAL 126 far 5 100 5 - 3.4-5.1 QG2 ILE 129 - QG2 VAL 126 far 0 73 0 - 4.7-5.1 QD1 LEU 70 - QG2 VAL 126 far 0 81 0 - 5.9-6.4 QG1 VAL 63 - QG2 VAL 126 far 0 92 0 - 7.0-7.5 QD1 LEU 103 - QG2 VAL 126 far 0 90 0 - 7.5-8.0 QD2 LEU 119 - QG2 VAL 126 far 0 100 0 - 7.7-8.2 QD1 ILE 37 - QG2 VAL 126 far 0 85 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 11615 from cnoeabs.peaks (1.57, 0.96, 22.68 ppm; 4.13 A increased from 3.89 A): 1 out of 4 assignments used, quality = 0.99: HG LEU 49 + QG1 VAL 126 OK 99 100 100 99 3.9-4.2 2.1/11676=76, ~11681=45...(12) HG LEU 123 - QG1 VAL 126 far 0 100 0 - 6.5-6.8 HB3 LEU 42 - QG1 VAL 126 far 0 76 0 - 7.8-8.4 HB2 LEU 119 - QG1 VAL 126 far 0 78 0 - 9.1-9.7 Violated in 1 structures by 0.00 A. Peak 11616 from cnoeabs.peaks (1.34, 0.96, 23.84 ppm; 4.51 A increased from 3.80 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 46 + QG2 VAL 126 OK 100 100 100 100 4.1-4.3 9175/2.1=99, 9187/3.2=60...(11) Violated in 0 structures by 0.00 A. Peak 11617 from cnoeabs.peaks (1.36, 2.10, 31.38 ppm; 6.03 A): 2 out of 2 assignments used, quality = 0.98: QB ALA 46 + HB VAL 126 OK 89 89 100 100 4.8-5.1 10409/2.1=95...(13) HB2 LEU 96 + HB VAL 126 OK 78 78 100 100 4.5-5.1 ~11689=72, ~10397=71...(15) Violated in 0 structures by 0.00 A. Peak 11618 from cnoeabs.peaks (1.99, 0.96, 22.68 ppm; 4.33 A increased from 3.85 A): 1 out of 2 assignments used, quality = 0.96: HB ILE 129 + QG1 VAL 126 OK 96 96 100 100 3.6-4.2 4007/3.2=57...(31) HB3 LEU 53 - QG1 VAL 126 far 0 100 0 - 5.9-8.3 Violated in 0 structures by 0.00 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 3.1-3.7 10489=69, 11639/3.2=55...(33) QD2 LEU 100 - QG2 VAL 126 far 7 68 10 - 4.3-5.3 QD2 LEU 62 - QG2 VAL 126 far 0 76 0 - 5.4-6.0 QD1 LEU 42 - QG2 VAL 126 far 0 85 0 - 5.9-6.6 Violated in 0 structures by 0.00 A. Peak 11620 from cnoeabs.peaks (2.21, 0.96, 22.68 ppm; 4.66 A increased from 4.38 A): 1 out of 7 assignments used, quality = 0.95: HB3 GLN 127 + QG1 VAL 126 OK 95 96 100 99 4.0-4.7 3.0/10394=85...(10) HG2 GLN 68 - QG1 VAL 126 far 4 89 5 - 5.2-6.2 HB3 LEU 96 - QG1 VAL 126 far 0 78 0 - 5.7-6.2 HB3 GLU 128 - QG1 VAL 126 far 0 97 0 - 7.1-7.5 HB2 GLN 68 - QG1 VAL 126 far 0 100 0 - 7.3-8.2 HB VAL 133 - QG1 VAL 126 far 0 73 0 - 7.6-8.3 HB3 GLU 97 - QG1 VAL 126 far 0 100 0 - 9.4-10.4 Violated in 2 structures by 0.00 A. Peak 11621 from cnoeabs.peaks (2.49, 0.96, 22.68 ppm; 5.58 A): 1 out of 3 assignments used, quality = 1.00: HG3 GLN 127 + QG1 VAL 126 OK 100 100 100 100 4.4-5.7 3.8/10394=91...(8) HG3 GLU 44 - QG1 VAL 126 far 0 73 0 - 8.8-9.1 HG2 GLU 55 - QG1 VAL 126 far 0 83 0 - 9.6-11.3 Violated in 3 structures by 0.01 A. Peak 11622 from cnoeabs.peaks (0.97, 2.08, 28.41 ppm; 4.96 A): 2 out of 10 assignments used, quality = 0.84: QG1 VAL 105 + HB2 GLU 102 OK 74 87 85 100 5.0-6.0 2.1/11456=79, ~10086=63...(20) QG1 VAL 57 + HB2 GLN 61 OK 39 39 100 100 3.7-4.5 10937/3.0=79...(30) QG1 VAL 126 - HB2 GLU 128 far 0 90 0 - 6.0-6.4 QG2 VAL 126 - HB2 GLU 128 far 0 98 0 - 6.1-6.6 QD2 LEU 53 - HB2 GLN 61 far 0 61 0 - 7.7-9.3 QG1 VAL 126 - HB3 GLU 44 far 0 86 0 - 7.9-9.0 QD2 LEU 53 - HB2 GLU 102 far 0 93 0 - 8.6-12.2 QD2 LEU 53 - HB2 GLU 128 far 0 99 0 - 9.6-10.8 QG2 VAL 126 - HB3 GLU 44 far 0 95 0 - 9.7-10.9 QG2 VAL 126 - HB2 GLU 102 far 0 91 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 11623 from cnoeabs.peaks (0.83, 2.08, 28.41 ppm; 4.85 A): 2 out of 17 assignments used, quality = 0.56: QG2 ILE 80 + HB3 GLN 82 OK 34 35 100 98 2.9-5.2 11261/4.0=62...(11) QG2 VAL 57 + HB2 GLN 61 OK 32 34 95 100 4.9-5.6 ~9377=54, ~10937=53...(29) QD1 LEU 98 - HB2 GLU 102 lone 4 58 55 14 3.9-6.6 10056/4093=10, ~11364=2 QD1 LEU 122 - HB2 GLU 102 far 3 53 5 - 5.3-8.7 QG2 ILE 129 - HB2 GLU 128 far 0 93 0 - 5.5-6.3 QG1 VAL 133 - HB3 GLN 82 far 0 53 0 - 6.0-9.1 HG13 ILE 80 - HB3 GLN 82 far 0 47 0 - 6.1-9.1 QD1 LEU 122 - HB2 GLU 128 far 0 60 0 - 7.5-10.1 QG1 VAL 133 - HB3 GLU 44 far 0 98 0 - 7.9-8.6 QD1 LEU 122 - HB2 GLN 61 far 0 31 0 - 8.7-12.3 QD2 LEU 70 - HB2 GLU 128 far 0 81 0 - 8.9-9.6 QG1 VAL 133 - HB2 GLU 128 far 0 100 0 - 9.3-10.7 QD2 LEU 70 - HB2 GLU 102 far 0 72 0 - 9.4-10.5 QG2 ILE 129 - HB3 GLU 44 far 0 90 0 - 9.5-10.6 QG2 ILE 129 - HB3 GLN 82 far 0 45 0 - 9.5-12.2 QD2 LEU 22 - HB3 GLN 82 far 0 52 0 - 9.8-27.9 QD1 LEU 70 - HB2 GLU 102 far 0 80 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 11624 from cnoeabs.peaks (0.99, 2.22, 28.41 ppm; 5.85 A): 3 out of 9 assignments used, quality = 0.99: QG2 VAL 105 + HB3 GLU 102 OK 88 88 100 100 3.3-4.1 11508/3.0=99...(19) QG2 VAL 118 + HB3 GLU 102 OK 80 80 100 100 2.5-3.9 2.1/11546=97...(17) QD1 LEU 69 + HB2 GLN 68 OK 72 80 90 100 5.8-6.5 2.1/11021=83, ~11048=76...(13) QD1 LEU 69 - HB3 GLU 97 far 0 64 0 - 8.2-9.3 QD1 LEU 69 - HB3 GLU 128 far 0 92 0 - 8.6-9.2 QG2 VAL 105 - HB3 GLU 97 far 0 70 0 - 9.0-10.2 QG2 VAL 118 - HB3 GLU 97 far 0 62 0 - 9.3-10.5 QD2 LEU 53 - HB3 GLU 102 far 0 56 0 - 9.8-11.4 QD2 LEU 53 - HB2 GLN 68 far 0 55 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 11625 from cnoeabs.peaks (0.87, 2.22, 28.41 ppm; 4.47 A): 3 out of 15 assignments used, quality = 0.97: QD2 LEU 69 + HB2 GLN 68 OK 85 91 100 93 4.3-4.7 4.9/2139=37, 2218/1.8=31...(13) QD2 LEU 70 + HB3 GLU 97 OK 62 62 100 100 2.3-3.5 11109/1.8=78...(32) QG1 VAL 118 + HB3 GLU 102 OK 56 56 100 100 4.0-4.7 2.1/11545=82, ~10266=48...(20) QD2 LEU 98 - HB3 GLU 97 poor 20 74 40 66 3.0-6.8 3192/7359=53...(3) QD1 LEU 98 - HB3 GLU 97 poor 17 70 40 60 4.3-6.5 3184/7359=45...(3) QD1 LEU 98 - HB3 GLU 102 far 9 88 10 - 5.0-7.0 QD2 LEU 98 - HB3 GLU 102 far 0 93 0 - 6.1-8.4 QD2 LEU 70 - HB2 GLN 68 far 0 78 0 - 6.8-7.3 QG1 VAL 118 - HB3 GLU 97 far 0 42 0 - 7.8-8.9 QD2 LEU 123 - HB3 GLU 128 far 0 96 0 - 8.6-9.7 QD2 LEU 69 - HB3 GLU 97 far 0 75 0 - 8.6-10.0 QD2 LEU 70 - HB3 GLU 102 far 0 80 0 - 8.6-11.1 QG2 VAL 20 - HB2 GLN 68 far 0 73 0 - 9.3-28.6 QG2 VAL 20 - HB3 GLU 97 far 0 57 0 - 9.5-28.3 QD2 LEU 69 - HB3 GLU 128 far 0 100 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 11626 from cnoeabs.peaks (0.78, 2.22, 28.41 ppm; 5.71 A increased from 4.81 A): 4 out of 25 assignments used, quality = 0.99: QD1 LEU 103 + HB3 GLU 102 OK 92 93 100 99 5.7-6.1 10265/11545=87...(9) QD1 LEU 96 + HB3 GLU 97 OK 69 69 100 100 4.9-5.8 ~11363=73, ~11461=69...(29) QD2 LEU 122 + HB3 GLU 97 OK 42 74 80 71 5.7-7.7 11388/10030=20...(10) QD2 LEU 122 + HB3 GLU 102 OK 33 93 40 90 5.4-7.6 11481/3207=71...(8) QD2 LEU 49 - HB2 GLN 68 poor 16 82 20 - 6.1-7.6 QD1 LEU 122 - HB3 GLU 97 poor 14 48 30 - 5.6-8.3 QD1 LEU 122 - HB3 GLU 102 far 3 64 5 - 5.8-9.7 QD1 ILE 37 - HB2 GLN 68 far 0 91 0 - 6.8-9.2 QD1 LEU 96 - HB2 GLN 68 far 0 86 0 - 7.0-7.9 QG1 VAL 63 - HB2 GLN 68 far 0 92 0 - 7.0-8.8 QG1 VAL 63 - HB3 GLU 102 far 0 93 0 - 7.4-9.0 QD1 LEU 122 - HB2 GLN 68 far 0 62 0 - 7.4-9.9 QD2 LEU 49 - HB3 GLU 97 far 0 65 0 - 7.7-8.7 QG1 VAL 63 - HB3 GLU 97 far 0 75 0 - 7.8-8.4 QD1 LEU 96 - HB3 GLU 102 far 0 87 0 - 8.1-10.2 QD2 LEU 43 - HB3 GLU 128 far 0 63 0 - 8.6-8.9 QD1 LEU 96 - HB3 GLU 128 far 0 97 0 - 8.6-9.2 QD2 LEU 119 - HB3 GLU 102 far 0 77 0 - 8.7-10.1 QD1 LEU 53 - HB3 GLU 128 far 0 97 0 - 8.8-11.3 QD1 LEU 122 - HB3 GLU 128 far 0 73 0 - 8.9-11.5 QD2 LEU 122 - HB2 GLN 68 far 0 91 0 - 9.1-10.8 QD2 LEU 122 - HB3 GLU 128 far 0 100 0 - 9.3-11.3 QD1 LEU 53 - HB2 GLN 68 far 0 86 0 - 9.3-10.6 QD2 LEU 49 - HB3 GLU 128 far 0 93 0 - 9.6-10.1 QD2 LEU 49 - HB3 GLU 102 far 0 83 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 11627 from cnoeabs.peaks (1.13, 2.42, 34.22 ppm; 3.60 A): 1 out of 2 assignments used, quality = 0.94: QG2 VAL 132 + HG3 GLU 128 OK 94 97 100 97 2.4-3.7 11658/10447=44...(14) QG1 VAL 132 - HG3 GLU 128 far 0 100 0 - 4.6-6.2 Violated in 2 structures by 0.01 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 0 92 0 - 6.9-7.6 Violated in 20 structures by 2.27 A. Peak 11629 from cnoeabs.peaks (4.34, 2.38, 34.44 ppm; 5.19 A): 1 out of 2 assignments used, quality = 0.69: HA CYS 125 + HG2 GLU 128 OK 69 69 100 100 3.2-5.2 4087/3.0=77...(15) HA ASN 59 - HG2 GLN 104 far 0 100 0 - 8.4-9.5 Violated in 1 structures by 0.00 A. Peak 11630 from cnoeabs.peaks (8.47, 2.42, 34.22 ppm; 6.13 A): 1 out of 2 assignments used, quality = 1.00: H VAL 132 + HG3 GLU 128 OK 100 100 100 100 4.0-5.2 4.0/11697=94...(9) H SER 9 - HG3 GLU 128 far 0 85 0 - 6.8-50.7 Violated in 0 structures by 0.00 A. Peak 11631 from cnoeabs.peaks (3.43, 0.82, 16.92 ppm; 3.94 A): 3 out of 7 assignments used, quality = 1.00: HA VAL 126 + QG2 ILE 129 OK 100 100 100 100 4.0-4.4 10402/4163=63...(30) HA ILE 129 + QG2 ILE 129 OK 60 60 100 100 2.0-2.4 3.2=100 HA VAL 77 + QG2 ILE 80 OK 58 58 100 100 3.9-4.4 9725/3.1=68, 9728/3.2=36...(42) HA VAL 77 - QG2 ILE 129 far 0 92 0 - 5.6-5.9 HA LYS 39 - QG2 ILE 129 far 0 60 0 - 6.7-7.5 HA LYS 39 - QG2 ILE 80 far 0 35 0 - 7.1-8.2 HA ILE 129 - QG2 ILE 80 far 0 35 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 11632 from cnoeabs.peaks (8.14, 0.82, 16.92 ppm; 5.01 A increased from 4.72 A): 2 out of 9 assignments used, quality = 1.00: H VAL 133 + QG2 ILE 129 OK 99 99 100 100 4.2-5.1 11894/10486=66...(17) H PHE 87 + QG2 ILE 80 OK 45 45 100 100 4.5-5.0 3.6/9819=67, 4.3/9813=65...(15) H GLU 91 - QG2 ILE 129 far 0 93 0 - 5.6-6.8 H VAL 133 - QG2 ILE 80 far 0 68 0 - 6.4-7.1 H ASP 71 - QG2 ILE 129 far 0 100 0 - 7.7-8.5 H ALA 15 - QG2 ILE 80 far 0 69 0 - 7.8-33.5 H GLU 91 - QG2 ILE 80 far 0 60 0 - 7.9-8.6 H PHE 87 - QG2 ILE 129 far 0 76 0 - 7.9-8.8 H LEU 22 - QG2 ILE 80 far 0 65 0 - 9.0-26.2 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 4.2-5.0 2.2/10456=100, ~10457=87...(18) 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 2.5-3.1 2.2/10457=89...(34) QD PHE 89 + QG2 ILE 80 OK 62 65 95 100 4.6-5.2 9747/3.1=62, ~9749=42...(29) HE ARG 135 - QG2 ILE 80 far 0 45 0 - 6.0-8.9 HE ARG 135 - QG2 ILE 129 far 0 76 0 - 7.8-10.3 HZ PHE 87 - QG2 ILE 80 far 0 47 0 - 8.4-10.9 Violated in 0 structures by 0.00 A. Peak 11635 from cnoeabs.peaks (1.63, 0.64, 14.39 ppm; 4.69 A): 0 out of 9 assignments used, quality = 0.00: HD2 LYS 95 - QD1 ILE 129 far 4 85 5 - 5.1-7.9 QB ALA 88 - QD1 ILE 129 far 0 68 0 - 5.6-6.6 HB2 LEU 122 - QD1 ILE 129 far 0 68 0 - 5.7-7.1 HD3 LYS 95 - QD1 ILE 129 far 0 73 0 - 5.7-7.7 HG LEU 70 - QD1 ILE 129 far 0 76 0 - 6.8-7.7 HG LEU 122 - QD1 ILE 129 far 0 57 0 - 7.4-8.8 HB2 LEU 98 - QD1 ILE 129 far 0 89 0 - 7.9-8.6 HB2 LEU 123 - QD1 ILE 129 far 0 92 0 - 8.1-9.1 HG LEU 43 - QD1 ILE 129 far 0 99 0 - 8.5-9.4 Violated in 15 structures by 0.14 A. Peak 11636 from cnoeabs.peaks (1.34, 0.64, 14.39 ppm; 4.96 A increased from 4.41 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 46 + QD1 ILE 129 OK 100 100 100 100 4.5-4.9 11245/4163=83...(14) QB ALA 12 - QD1 ILE 129 far 0 76 0 - 8.1-26.8 Violated in 0 structures by 0.00 A. Peak 11637 from cnoeabs.peaks (1.52, 0.64, 14.39 ppm; 5.00 A increased from 4.45 A): 1 out of 3 assignments used, quality = 0.99: HG LEU 69 + QD1 ILE 129 OK 99 99 100 100 4.3-4.9 2.1/11038=83...(14) HB2 LEU 49 - QD1 ILE 129 far 0 73 0 - 6.6-7.5 HB3 LEU 42 - QD1 ILE 129 far 0 76 0 - 7.8-8.5 Violated in 0 structures by 0.00 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 4.6-5.3 2.1/11692=93...(31) HB2 GLU 128 + QD1 ILE 129 OK 60 60 100 99 3.6-4.9 4.5/7873=61...(14) HG3 GLU 91 + QD1 ILE 129 OK 26 100 35 76 5.2-8.2 9911/10491=43...(4) HB2 GLU 97 - QD1 ILE 129 far 0 63 0 - 6.3-7.9 HG3 GLN 134 - QD1 ILE 129 far 0 63 0 - 8.8-10.2 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 2.1-2.9 10402=78, 3.2/11692=50...(26) HA VAL 77 - QD1 ILE 129 far 0 63 0 - 7.5-8.5 HA LYS 39 - QD1 ILE 129 far 0 90 0 - 9.5-10.2 HB3 HIS 67 - QD1 ILE 129 far 0 93 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 11640 from cnoeabs.peaks (8.28, 3.77, 62.61 ppm; 4.88 A): 1 out of 4 assignments used, quality = 0.95: H ASP 131 + HB3 SER 130 OK 95 95 100 100 2.6-3.3 4.6=100 H LEU 43 - HB3 SER 130 far 0 100 0 - 6.3-7.4 H VAL 126 - HB3 SER 130 far 0 99 0 - 7.1-8.4 H LEU 49 - HB3 SER 130 far 0 85 0 - 7.9-9.5 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 2 assignments used, quality = 1.00: QB ALA 46 + HB2 SER 130 OK 100 100 100 100 1.9-3.9 10508/1.8=97...(12) QB ALA 46 + HB2 SER 50 OK 41 73 70 81 4.8-6.3 9213/3.9=50...(5) 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 10 assignments used, quality = 1.00: QD2 LEU 43 + HB2 SER 130 OK 100 100 100 100 1.8-3.7 10509/1.8=84...(24) HG12 ILE 129 - HB2 SER 130 far 0 99 0 - 5.8-7.1 QD2 LEU 96 - HB2 SER 130 far 0 99 0 - 6.7-9.1 HG12 ILE 129 - HB2 SER 50 far 0 70 0 - 7.0-10.3 QD2 LEU 43 - HB2 SER 50 far 0 72 0 - 7.2-8.7 QD1 LEU 96 - HB2 SER 50 far 0 61 0 - 7.4-9.0 QD1 LEU 96 - HB2 SER 130 far 0 92 0 - 7.7-10.4 QD2 LEU 96 - HB2 SER 50 far 0 69 0 - 7.7-10.6 QG1 VAL 93 - HB2 SER 130 far 0 99 0 - 9.1-10.8 QD2 LEU 103 - HB2 SER 50 far 0 60 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 11643 from cnoeabs.peaks (0.97, 3.77, 62.61 ppm; 6.36 A): 2 out of 2 assignments used, quality = 0.98: QG1 VAL 126 + HB3 SER 130 OK 97 97 100 100 3.7-5.2 9175/10508=98...(7) QG2 VAL 126 + HB3 SER 130 OK 56 100 60 93 5.9-7.4 11680/10508=88...(4) Violated in 0 structures by 0.00 A. Peak 11644 from cnoeabs.peaks (8.15, 2.77, 40.87 ppm; 5.62 A increased from 5.29 A): 1 out of 3 assignments used, quality = 0.99: H VAL 133 + HB2 ASP 131 OK 99 99 100 100 5.1-5.3 3.3/7914=94...(13) H VAL 133 - HB2 TYR 76 far 0 74 0 - 8.0-9.2 H ASP 71 - HB2 TYR 76 far 0 64 0 - 8.5-8.8 Violated in 0 structures by 0.00 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 4.5-4.8 3.3/7915=95...(15) Violated in 0 structures by 0.00 A. Peak 11646 from cnoeabs.peaks (8.04, 2.87, 40.87 ppm; 5.80 A increased from 5.16 A): 1 out of 1 assignment used, quality = 1.00: H SER 130 + HB3 ASP 131 OK 100 100 100 100 5.4-5.5 7891/7904=96...(11) Violated in 0 structures by 0.00 A. Peak 11648 from cnoeabs.peaks (8.28, 2.28, 31.51 ppm; 5.49 A increased from 5.16 A): 1 out of 3 assignments used, quality = 0.99: H ASP 131 + HB VAL 132 OK 99 99 100 100 5.2-5.5 3.3/7917=96...(13) H LEU 43 - HB VAL 132 far 0 97 0 - 9.3-10.1 H GLY 111 - HB3 PRO 113 far 0 43 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 11650 from cnoeabs.peaks (7.06, 2.28, 31.51 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 89 + HB VAL 132 OK 100 100 100 100 1.9-2.9 10546/2.1=53...(28) HE ARG 135 - HB VAL 132 far 5 98 5 - 4.4-7.4 Violated in 0 structures by 0.00 A. Peak 11651 from cnoeabs.peaks (8.28, 1.13, 22.77 ppm; 4.84 A): 1 out of 7 assignments used, quality = 0.52: H ASP 131 + QG2 VAL 132 OK 52 52 100 100 3.6-4.2 7904/10518=74...(23) H ASP 131 - QG1 VAL 132 far 0 99 0 - 5.8-6.2 H VAL 126 - QG2 VAL 132 far 0 45 0 - 7.7-8.2 H LEU 96 - QG2 VAL 132 far 0 53 0 - 8.3-8.9 H LEU 43 - QG2 VAL 132 far 0 48 0 - 8.8-9.7 H LEU 43 - QG1 VAL 132 far 0 97 0 - 9.6-10.3 H LEU 96 - QG1 VAL 132 far 0 100 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 11652 from cnoeabs.peaks (8.02, 1.13, 22.77 ppm; 5.15 A): 2 out of 9 assignments used, quality = 0.67: H SER 130 + QG2 VAL 132 OK 47 47 100 99 4.1-4.9 7910/4.0=61...(13) H ILE 129 + QG2 VAL 132 OK 37 37 100 100 3.7-4.3 3.6/10442=71...(18) H ILE 129 - QG1 VAL 132 far 0 81 0 - 6.2-6.8 H SER 130 - QG1 VAL 132 far 0 96 0 - 6.6-7.1 H CYS 125 - QG2 VAL 132 far 0 38 0 - 8.3-8.8 H CYS 79 - QG1 VAL 132 far 0 83 0 - 8.3-9.1 H TYR 76 - QG1 VAL 132 far 0 83 0 - 9.1-9.9 H TYR 76 - QG2 VAL 132 far 0 38 0 - 9.6-10.2 H CYS 79 - QG2 VAL 132 far 0 38 0 - 9.9-10.5 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 - 5.3-8.4 H ILE 80 - QG1 VAL 132 far 0 97 0 - 7.1-7.9 HE21 GLN 82 - QG2 VAL 132 far 0 26 0 - 7.4-10.5 H ILE 80 - QG2 VAL 132 far 0 49 0 - 8.9-9.5 Violated in 20 structures by 1.66 A. Peak 11655 from cnoeabs.peaks (6.48, 1.13, 22.77 ppm; 6.30 A increased from 5.60 A): 3 out of 4 assignments used, quality = 1.00: QE TYR 76 + QG1 VAL 132 OK 99 100 100 99 5.3-6.2 9746/11656=89...(8) QD TYR 76 + QG1 VAL 132 OK 51 71 100 72 5.8-6.6 9746/11656=46...(5) QE TYR 76 + QG2 VAL 132 OK 30 52 75 77 6.4-7.5 10550/4.4=34...(8) QD TYR 76 - QG2 VAL 132 poor 19 31 60 - 6.6-7.4 Violated in 0 structures by 0.00 A. Peak 11656 from cnoeabs.peaks (0.27, 1.13, 22.77 ppm; 3.54 A): 1 out of 4 assignments used, quality = 0.99: QD1 ILE 80 + QG1 VAL 132 OK 99 100 100 99 2.7-3.4 9722/2.1=46...(28) QD1 ILE 80 - QG2 VAL 132 far 0 53 0 - 4.4-4.9 QG2 VAL 93 - QG2 VAL 132 far 0 42 0 - 4.4-5.0 QG2 VAL 93 - QG1 VAL 132 far 0 89 0 - 5.3-6.0 Violated in 0 structures by 0.00 A. Peak 11657 from cnoeabs.peaks (2.40, 1.14, 23.15 ppm; 3.65 A): 2 out of 4 assignments used, quality = 0.91: HG2 GLU 128 + QG2 VAL 132 OK 76 78 100 97 2.5-4.0 1.8/11697=74...(12) HG3 GLU 128 + QG2 VAL 132 OK 62 65 100 95 2.4-3.7 11697=52, 9949/9947=38...(11) HG3 GLU 128 - QG1 VAL 132 far 0 28 0 - 4.6-6.2 HG2 GLU 128 - QG1 VAL 132 far 0 35 0 - 4.9-6.0 Violated in 0 structures by 0.00 A. Peak 11658 from cnoeabs.peaks (1.44, 1.13, 22.77 ppm; 3.85 A): 1 out of 4 assignments used, quality = 0.52: QB ALA 92 + QG2 VAL 132 OK 52 52 100 100 3.1-3.7 9947=98, 10447/11627=54...(20) QB ALA 92 - QG1 VAL 132 far 0 99 0 - 4.5-5.2 HG2 LYS 86 - QG1 VAL 132 far 0 92 0 - 5.5-6.8 HG2 LYS 86 - QG2 VAL 132 far 0 44 0 - 7.4-8.4 Violated in 0 structures by 0.00 A. Peak 11659 from cnoeabs.peaks (1.79, 1.13, 22.77 ppm; 4.93 A increased from 4.38 A): 2 out of 6 assignments used, quality = 0.85: HB3 ARG 135 + QG1 VAL 132 OK 65 65 100 100 4.1-4.8 1.8/11786=73...(33) HB2 ARG 84 + QG1 VAL 132 OK 56 87 85 75 5.0-6.6 4.7/10545=57...(5) HB2 LYS 86 - QG1 VAL 132 far 0 100 0 - 5.6-6.2 HB3 ARG 135 - QG2 VAL 132 far 0 28 0 - 5.7-6.4 HB2 ARG 84 - QG2 VAL 132 far 0 41 0 - 7.3-8.9 HB2 LYS 86 - QG2 VAL 132 far 0 53 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 11660 from cnoeabs.peaks (2.83, 1.13, 22.77 ppm; 4.69 A): 1 out of 4 assignments used, quality = 1.00: HB3 ASN 85 + QG1 VAL 132 OK 100 100 100 100 1.9-3.2 9794=98, 3.6/10545=65...(23) HB3 ASN 85 - QG2 VAL 132 far 8 53 15 - 4.4-5.8 HB2 ASN 13 - QG1 VAL 132 far 0 97 0 - 8.8-38.3 HB2 ASN 13 - QG2 VAL 132 far 0 49 0 - 9.2-38.9 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 5 assignments used, quality = 0.83: QB ALA 88 + HB VAL 132 OK 83 83 100 100 3.9-4.5 9857/3.0=55, ~9860=49...(16) HD2 LYS 39 - HB VAL 132 far 0 100 0 - 9.7-10.9 HD2 LYS 86 - HB VAL 132 far 0 78 0 - 9.8-10.4 HD3 LYS 86 - HB VAL 132 far 0 78 0 - 9.9-10.4 HD2 LYS 95 - HB VAL 132 far 0 65 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 11662 from cnoeabs.peaks (0.84, 2.28, 31.51 ppm; 4.73 A): 1 out of 5 assignments used, quality = 0.92: QG2 ILE 129 + HB VAL 132 OK 92 92 100 100 3.5-4.3 3.2/4126=66...(19) QG1 VAL 133 - HB VAL 132 far 10 100 10 - 5.1-5.6 QG2 ILE 80 - HB VAL 132 far 0 76 0 - 5.3-6.2 HG13 ILE 80 - HB VAL 132 far 0 95 0 - 5.6-6.3 QG2 VAL 57 - HB3 PRO 113 far 0 43 0 - 6.4-8.8 Violated in 0 structures by 0.00 A. Peak 11663 from cnoeabs.peaks (8.57, 1.14, 23.15 ppm; 5.09 A increased from 4.52 A): 2 out of 2 assignments used, quality = 0.99: H ARG 90 + QG2 VAL 132 OK 98 100 100 98 4.9-5.6 7248/9933=51...(12) H ARG 90 + QG1 VAL 132 OK 52 53 100 99 4.4-5.2 11183/11738=54...(12) Violated in 0 structures by 0.00 A. Peak 11665 from cnoeabs.peaks (8.28, 0.84, 22.13 ppm; 4.83 A): 2 out of 3 assignments used, quality = 1.00: H LEU 43 + QG1 VAL 133 OK 97 97 100 100 3.7-4.1 6510/11777=77...(19) H GLU 40 + QG1 VAL 133 OK 97 100 100 97 4.6-5.4 3.6/10578=68...(13) H ASP 131 - QG1 VAL 133 far 5 99 5 - 5.1-6.6 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 3.7-4.1 10552/2.1=98...(16) Violated in 0 structures by 0.00 A. Peak 11667 from cnoeabs.peaks (4.35, 1.04, 23.73 ppm; 5.77 A increased from 5.43 A): 1 out of 6 assignments used, quality = 0.99: HA GLN 134 + QG2 VAL 133 OK 99 99 100 100 5.0-5.5 11761/2.1=94...(20) HA PRO 81 - QG2 VAL 133 far 0 97 0 - 7.0-8.3 HA LEU 69 - QG2 VAL 133 far 0 90 0 - 7.5-7.9 HA ASP 47 - QG2 VAL 133 far 0 100 0 - 8.6-9.8 HA2 GLY 75 - QG2 VAL 133 far 0 60 0 - 8.6-9.5 HA CYS 125 - QG2 VAL 133 far 0 99 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 11668 from cnoeabs.peaks (4.33, 0.84, 22.13 ppm; 5.05 A): 1 out of 7 assignments used, quality = 0.83: HA GLN 134 + QG1 VAL 133 OK 83 83 100 100 2.9-4.0 3.0/4250=85...(18) HA ASP 131 - QG1 VAL 133 poor 18 71 25 - 4.8-6.2 HA TYR 76 - QG1 VAL 133 far 0 81 0 - 6.3-7.5 HA PRO 81 - QG1 VAL 133 far 0 100 0 - 6.7-7.9 HA LEU 69 - QG1 VAL 133 far 0 100 0 - 8.6-9.2 HA ASP 47 - QG1 VAL 133 far 0 97 0 - 8.6-9.8 HA2 GLY 75 - QG1 VAL 133 far 0 92 0 - 9.9-10.9 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 = 0.95: HB VAL 132 + QG2 VAL 133 OK 95 96 100 100 3.0-4.3 7929/7935=64...(20) HG2 GLU 40 - QG2 VAL 133 far 0 78 0 - 7.6-9.9 Violated in 1 structures by 0.00 A. Peak 11670 from cnoeabs.peaks (2.29, 0.84, 22.13 ppm; 4.39 A): 0 out of 2 assignments used, quality = 0.00: HB VAL 132 - QG1 VAL 133 far 0 98 0 - 5.1-5.6 HG2 GLU 40 - QG1 VAL 133 far 0 71 0 - 5.7-8.3 Violated in 20 structures by 0.74 A. Peak 11671 from cnoeabs.peaks (1.76, 1.04, 23.73 ppm; 5.14 A increased from 4.57 A): 2 out of 4 assignments used, quality = 1.00: HB2 LYS 39 + QG2 VAL 133 OK 100 100 100 100 4.4-5.3 ~10578=55, 4.9/10571=55...(19) HB ILE 80 + QG2 VAL 133 OK 70 73 95 100 5.0-5.8 3.2/10588=86...(28) HG13 ILE 129 - QG2 VAL 133 poor 18 89 20 - 5.5-6.6 HG3 ARG 90 - QG2 VAL 133 far 0 60 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 11672 from cnoeabs.peaks (1.74, 0.84, 22.13 ppm; 4.08 A): 3 out of 5 assignments used, quality = 0.96: HB2 LYS 39 + QG1 VAL 133 OK 84 85 100 98 2.1-4.0 3.0/10578=56...(16) HD3 LYS 39 + QG1 VAL 133 OK 59 60 100 99 2.3-4.1 1.8/10572=44...(19) HB2 LEU 43 + QG1 VAL 133 OK 41 92 45 100 4.1-5.0 3.2/11679=74...(29) HB ILE 80 - QG1 VAL 133 far 0 100 0 - 5.8-7.3 HG13 ILE 129 - QG1 VAL 133 far 0 100 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 11673 from cnoeabs.peaks (1.51, 0.84, 22.13 ppm; 5.47 A increased from 4.61 A): 1 out of 2 assignments used, quality = 0.65: HG LEU 42 + QG1 VAL 133 OK 65 65 100 100 5.2-5.5 2.1/10585=100, ~10587=86...(22) HG LEU 69 - QG1 VAL 133 far 0 100 0 - 8.7-9.4 Violated in 3 structures by 0.00 A. Peak 11674 from cnoeabs.peaks (0.76, 2.19, 31.57 ppm; 4.23 A): 1 out of 5 assignments used, quality = 0.99: QD2 LEU 43 + HB VAL 133 OK 99 99 100 100 1.8-2.9 9128=98, 11777/2.1=91...(23) HG12 ILE 129 - HB VAL 133 far 0 96 0 - 6.9-9.0 QD2 LEU 96 - HB VAL 133 far 0 95 0 - 8.4-9.7 QG1 VAL 93 - HB VAL 133 far 0 96 0 - 8.8-10.4 QD1 LEU 96 - HB VAL 133 far 0 97 0 - 9.9-11.7 Violated in 0 structures by 0.00 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 3.1-3.5 2.1/10587=74, 9084=40...(27) QD1 ILE 129 - QG2 VAL 133 far 0 100 0 - 5.0-5.7 Violated in 0 structures by 0.00 A. Peak 11677 from cnoeabs.peaks (0.70, 0.84, 22.13 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 43 + QG1 VAL 133 OK 100 100 100 100 2.0-3.5 2.1/10572=57, 11775=48...(31) Violated in 1 structures by 0.00 A. Peak 11678 from cnoeabs.peaks (0.77, 1.04, 23.73 ppm; 3.67 A increased from 3.27 A): 1 out of 7 assignments used, quality = 0.92: QD2 LEU 43 + QG2 VAL 133 OK 92 92 100 100 2.3-3.6 11090=87, 11679/2.1=77...(31) HG12 ILE 129 - QG2 VAL 133 far 0 83 0 - 5.9-6.8 QD2 LEU 96 - QG2 VAL 133 far 0 81 0 - 6.6-7.4 QG1 VAL 93 - QG2 VAL 133 far 0 83 0 - 6.7-7.1 QD1 ILE 37 - QG2 VAL 133 far 0 98 0 - 7.3-8.0 QD1 LEU 96 - QG2 VAL 133 far 0 100 0 - 8.3-9.1 QD2 LEU 49 - QG2 VAL 133 far 0 65 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 11679 from cnoeabs.peaks (0.78, 0.84, 22.13 ppm; 3.12 A increased from 2.77 A): 1 out of 3 assignments used, quality = 0.71: QD2 LEU 43 + QG1 VAL 133 OK 71 71 100 100 1.9-3.1 2.1/11775=55...(27) QD1 ILE 37 - QG1 VAL 133 far 0 100 0 - 7.6-8.5 QD1 LEU 96 - QG1 VAL 133 far 0 99 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 11680 from cnoeabs.peaks (1.14, 0.84, 22.13 ppm; 3.33 A): 2 out of 4 assignments used, quality = 0.99: HG2 LYS 39 + QG1 VAL 133 OK 95 100 100 96 1.8-3.4 4.0/10578=29...(22) HG3 LYS 39 + QG1 VAL 133 OK 85 87 100 98 1.7-2.1 11073/11777=35...(26) QG1 VAL 132 - QG1 VAL 133 far 0 99 0 - 5.4-5.8 QG2 VAL 132 - QG1 VAL 133 far 0 100 0 - 5.7-6.0 Violated in 0 structures by 0.00 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 3.6-5.2 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 7 assignments used, quality = 1.00: QD2 LEU 43 + HA GLN 134 OK 100 100 100 100 3.8-4.9 2.1/11899=77...(20) QD2 LEU 43 - HA ASP 47 far 0 91 0 - 5.5-6.3 QD1 ILE 32 - HA LYS 24 far 0 28 0 - 6.7-12.1 HG12 ILE 129 - HA ASP 47 far 0 91 0 - 8.1-11.1 QG1 VAL 93 - HA LYS 24 far 0 48 0 - 8.5-22.3 QD2 LEU 96 - HA ASP 47 far 0 91 0 - 8.5-9.9 QD1 LEU 96 - HA ASP 47 far 0 70 0 - 8.6-9.0 Violated in 2 structures by 0.01 A. Peak 11683 from cnoeabs.peaks (1.72, 4.35, 56.69 ppm; 4.47 A): 2 out of 13 assignments used, quality = 0.87: HD3 LYS 39 + HA GLN 134 OK 82 97 100 84 3.0-5.0 ~10606=27...(8) HB2 LYS 24 + HA LYS 24 OK 29 29 100 100 2.3-3.0 3.0=100 HG2 ARG 135 - HA GLN 134 far 14 95 15 - 5.0-6.7 HG LEU 48 - HA ASP 47 far 0 86 0 - 5.7-6.2 HB2 LEU 43 - HA ASP 47 far 0 90 0 - 6.5-8.0 HB2 LYS 31 - HA LYS 24 far 0 34 0 - 6.7-18.9 HB2 LEU 70 - HA LYS 24 far 0 43 0 - 6.8-26.6 HB2 LEU 43 - HA GLN 134 far 0 100 0 - 7.0-8.0 HG13 ILE 129 - HA ASP 47 far 0 68 0 - 8.1-11.7 HB2 LYS 19 - HA LYS 24 far 0 25 0 - 8.2-14.3 HB3 LEU 70 - HA LYS 24 far 0 45 0 - 8.3-27.5 HB2 LYS 26 - HA LYS 24 far 0 25 0 - 8.3-9.7 HB ILE 80 - HA LYS 24 far 0 41 0 - 9.9-25.9 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 1.9-3.5 9121=97, 2.1/9124=79...(23) Violated in 0 structures by 0.00 A. Peak 11685 from cnoeabs.peaks (0.74, 2.08, 35.91 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.87: QD2 LEU 43 + HG3 GLN 134 OK 87 87 100 100 2.5-3.9 10596/1.8=67...(29) HG12 ILE 129 - HG3 GLN 134 far 0 95 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 11686 from cnoeabs.peaks (7.05, 1.82, 31.04 ppm; 6.47 A): 2 out of 3 assignments used, quality = 1.00: HE ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.7-4.3 5.1=100 QD PHE 89 + HB VAL 93 OK 48 48 100 100 3.2-4.3 ~11424=92, ~11326=86...(18) QD PHE 89 - HB3 ARG 135 far 8 85 10 - 6.8-8.2 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 1.8-2.6 10526=100, 10527/1.8=91...(26) HA VAL 132 - HG3 PRO 81 far 0 61 0 - 7.4-9.9 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 4.2-4.5 2478/2.3=92...(22) HA CYS 79 - HG3 PRO 81 far 0 48 0 - 7.6-8.8 HA ILE 80 - HG3 ARG 135 far 0 100 0 - 8.2-9.4 HA3 GLY 114 - HG3 PRO 117 far 0 65 0 - 8.4-10.4 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 4.1-5.0 3.2/10019=73, ~11783=53...(36) QG1 VAL 132 + HG2 ARG 135 OK 99 99 100 100 3.0-4.6 11875/11874=73...(37) HG2 LYS 39 - HG2 ARG 135 far 0 100 0 - 7.6-11.6 HG3 LYS 39 - HG2 ARG 135 far 0 85 0 - 8.2-10.3 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 = 0.93: QG1 VAL 132 + HD2 ARG 135 OK 90 90 100 100 3.4-4.5 3.2/10529=61...(32) QG2 VAL 132 + HD2 ARG 135 OK 29 73 40 100 4.1-5.6 3.2/10529=61, ~11875=44...(31) HG2 LYS 39 - HD2 ARG 135 far 0 83 0 - 9.2-12.8 Violated in 0 structures by 0.00 A. Peak 11691 from cnoeabs.peaks (3.25, 0.75, 26.15 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 93 + QD2 LEU 96 OK 100 100 100 100 1.8-2.6 2906=50, 7311/5.1=48...(36) HB3 HIS 10 - QD2 LEU 96 far 0 100 0 - 9.9-34.6 Violated in 0 structures by 0.00 A. Peak 11692 from cnoeabs.peaks (3.88, 0.75, 26.15 ppm; 4.46 A): 1 out of 6 assignments used, quality = 0.95: HA LEU 70 + QD2 LEU 96 OK 95 100 100 95 2.9-3.4 4.9/11811=40...(12) HA ALA 46 - QD2 LEU 96 far 5 97 5 - 5.0-6.4 HB2 SER 94 - QD2 LEU 96 far 0 87 0 - 5.9-7.2 HB3 SER 50 - QD2 LEU 96 far 0 100 0 - 8.2-9.9 HA3 GLY 75 - QD2 LEU 96 far 0 85 0 - 8.8-9.6 HA LYS 86 - QD2 LEU 96 far 0 100 0 - 9.5-10.2 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 = 0.95: HG CYS 73 + QD2 LEU 96 OK 95 97 100 98 2.8-4.1 11105/11810=62...(12) HB2 CYS 45 - QD2 LEU 96 far 0 90 0 - 6.6-8.1 Violated in 0 structures by 0.00 A. Peak 11694 from cnoeabs.peaks (1.66, 0.75, 26.15 ppm; 3.74 A): 1 out of 7 assignments used, quality = 0.97: HB2 LEU 69 + QD2 LEU 96 OK 97 99 100 98 1.9-2.8 3.2/11037=57...(20) HD3 LYS 95 - QD2 LEU 96 far 0 100 0 - 6.4-8.8 HD2 LYS 95 - QD2 LEU 96 far 0 99 0 - 6.8-9.0 HB2 LEU 98 - QD2 LEU 96 far 0 97 0 - 6.9-7.5 QB ALA 88 - QD2 LEU 96 far 0 100 0 - 8.2-8.9 HB2 LEU 123 - QD2 LEU 96 far 0 96 0 - 8.4-9.5 HG LEU 43 - QD2 LEU 96 far 0 85 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 11695 from cnoeabs.peaks (2.13, 0.75, 26.15 ppm; 5.17 A increased from 4.35 A): 2 out of 3 assignments used, quality = 0.96: HB2 GLU 97 + QD2 LEU 96 OK 90 100 90 100 4.1-5.8 11363/2.1=81...(26) HB VAL 126 + QD2 LEU 96 OK 57 60 95 99 4.5-5.9 3.0/11807=76, ~11452=52...(13) HG3 GLU 91 - QD2 LEU 96 far 0 71 0 - 7.7-10.1 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 4 assignments used, quality = 1.00: HB3 LEU 53 + HB2 SER 50 OK 100 100 100 100 4.8-6.6 1653/3.0=97, ~9218=76...(13) HB ILE 129 + HB2 SER 130 OK 67 67 100 100 4.2-5.5 7883/3.9=96...(13) HB2 GLN 134 - HB2 SER 130 poor 16 38 55 77 5.4-8.5 ~10507=25, 4.3/10336=23...(7) HB ILE 129 - HB2 SER 50 far 0 97 0 - 7.8-9.7 Violated in 0 structures by 0.00 A. Peak 11698 from cnoeabs.peaks (0.94, 3.84, 62.56 ppm; 3.91 A): 2 out of 16 assignments used, quality = 0.99: QD1 LEU 123 + HB2 SER 50 OK 97 97 100 100 2.0-3.8 11874/3.0=68, 3953=44...(29) QG1 VAL 126 + HB2 SER 50 OK 68 85 85 94 3.0-4.8 11785/3.9=38, ~11668=26...(16) QG1 VAL 126 - HB2 SER 130 poor 16 55 30 - 3.5-6.2 QD1 LEU 49 - HB2 SER 50 far 0 71 0 - 5.1-6.1 QG2 VAL 126 - HB2 SER 50 far 0 68 0 - 5.4-6.8 QG2 VAL 126 - HB2 SER 130 far 0 42 0 - 5.6-8.4 QD1 LEU 49 - HB2 SER 130 far 0 44 0 - 6.2-8.6 QD2 LEU 53 - HB2 SER 50 far 0 60 0 - 6.3-6.9 QD1 LEU 123 - HB2 SER 130 far 0 67 0 - 6.5-8.5 QD2 LEU 48 - HB2 SER 50 far 0 60 0 - 7.0-8.5 QD1 LEU 48 - HB2 SER 50 far 0 93 0 - 7.7-9.0 QD1 LEU 62 - HB2 SER 50 far 0 73 0 - 7.9-8.7 QD1 LEU 48 - HB2 SER 130 far 0 63 0 - 8.4-10.8 QD2 LEU 48 - HB2 SER 130 far 0 36 0 - 8.5-11.0 QG2 ILE 37 - HB2 SER 130 far 0 72 0 - 8.6-10.0 QD2 LEU 53 - HB2 SER 130 far 0 36 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 11699 from cnoeabs.peaks (0.78, 3.84, 62.56 ppm; 4.46 A): 2 out of 12 assignments used, quality = 0.94: QD1 LEU 53 + HB2 SER 50 OK 90 96 95 99 3.7-5.8 9218/3.0=67...(22) QD2 LEU 43 + HB2 SER 130 OK 40 40 100 100 1.8-3.7 10509/1.8=80...(22) QD2 LEU 49 - HB2 SER 50 far 0 92 0 - 5.7-7.0 QD1 LEU 122 - HB2 SER 50 far 0 71 0 - 6.9-9.1 QD2 LEU 43 - HB2 SER 50 far 0 65 0 - 7.2-8.7 QD1 LEU 96 - HB2 SER 50 far 0 97 0 - 7.4-9.0 QD1 LEU 53 - HB2 SER 130 far 0 65 0 - 7.4-10.6 QD2 LEU 49 - HB2 SER 130 far 0 61 0 - 7.5-10.2 QD1 LEU 96 - HB2 SER 130 far 0 67 0 - 7.7-10.4 QD2 LEU 122 - HB2 SER 50 far 0 100 0 - 8.4-9.9 QD1 LEU 122 - HB2 SER 130 far 0 44 0 - 9.2-12.5 QD2 LEU 122 - HB2 SER 130 far 0 71 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 11700 from cnoeabs.peaks (8.48, 0.80, 26.96 ppm; 6.00 A increased from 5.05 A): 2 out of 4 assignments used, quality = 0.84: H LEU 70 + QD2 LEU 49 OK 78 83 100 94 5.6-5.8 4.4/11034=33...(11) H LEU 100 + QD2 LEU 49 OK 27 100 90 29 6.1-6.7 11009/9208=10...(6) H ASP 47 - QD2 LEU 49 far 0 63 0 - 6.7-7.3 H GLU 97 - QD2 LEU 49 far 0 92 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 11702 from cnoeabs.peaks (4.01, 0.81, 25.23 ppm; 3.60 A): 1 out of 15 assignments used, quality = 0.69: HB3 SER 99 + QD1 LEU 122 OK 69 100 70 98 2.0-5.7 11476/2.1=41, 11476=35...(23) HA LEU 119 - QD1 LEU 122 poor 18 90 30 68 3.7-6.2 3764/3.1=34, 3762/4.3=22...(9) HA LYS 95 - QD1 LEU 122 far 0 97 0 - 5.4-8.6 HA LEU 103 - QD1 LEU 122 far 0 99 0 - 5.4-7.8 HA SER 50 - QD1 LEU 122 far 0 95 0 - 5.4-8.3 HB3 SER 124 - QD1 LEU 122 far 0 83 0 - 6.5-8.9 HA SER 60 - QD1 LEU 122 far 0 100 0 - 6.5-10.0 HB2 SER 124 - QD1 LEU 122 far 0 93 0 - 6.6-9.0 HA LYS 95 - QD1 LEU 70 far 0 57 0 - 6.6-7.1 HA GLN 68 - QD1 LEU 70 far 0 50 0 - 6.9-7.2 HA GLN 68 - QD1 LEU 122 far 0 90 0 - 7.9-10.1 HA GLU 91 - QD1 LEU 70 far 0 30 0 - 8.5-9.6 HB3 SER 99 - QD1 LEU 70 far 0 61 0 - 8.5-9.4 HA VAL 20 - QD1 LEU 70 far 0 46 0 - 8.8-27.0 HB3 SER 51 - QD1 LEU 122 far 0 63 0 - 9.0-12.0 Violated in 13 structures by 0.47 A. Peak 11706 from cnoeabs.peaks (2.61, 0.78, 24.12 ppm; 4.66 A): 1 out of 2 assignments used, quality = 0.98: HB2 ASN 59 + QD1 LEU 103 OK 98 98 100 100 1.9-2.8 1.8/11834=88...(20) HB2 ASP 71 - QD1 LEU 96 far 0 53 0 - 8.1-9.4 Violated in 0 structures by 0.00 A. Peak 11707 from cnoeabs.peaks (2.88, 0.78, 24.12 ppm; 4.76 A): 1 out of 3 assignments used, quality = 0.97: HB3 ASN 59 + QD1 LEU 103 OK 97 97 100 100 3.3-4.4 1.8/11833=88...(20) HE2 LYS 95 - QD1 LEU 96 far 0 68 0 - 7.8-10.2 HE3 LYS 95 - QD1 LEU 96 far 0 68 0 - 8.8-9.7 Violated in 0 structures by 0.00 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 4.9-5.5 11832/2.1=100...(30) HA VAL 63 + QD1 LEU 96 OK 48 69 100 69 5.5-6.1 11009/11388=32...(7) HB2 HIS 67 - QD1 LEU 96 poor 10 45 55 41 6.3-6.9 10034/11388=15...(8) HB3 TYR 72 - QD1 LEU 96 far 0 41 0 - 7.7-9.1 HB2 HIS 67 - QD1 LEU 103 far 0 76 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 11709 from cnoeabs.peaks (0.89, 4.02, 57.03 ppm; 3.77 A): 2 out of 4 assignments used, quality = 0.99: QG1 VAL 118 + HA LEU 103 OK 99 99 100 99 2.7-3.3 11705/3.0=40, 11598=37...(17) QG2 VAL 63 + HA LEU 103 OK 33 89 40 93 4.2-4.9 11811/3.6=33...(21) QD1 LEU 62 - HA LEU 103 far 0 83 0 - 6.4-7.2 QD2 LEU 98 - HA LEU 103 far 0 89 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 11710 from cnoeabs.peaks (4.30, 0.78, 24.12 ppm; 5.39 A increased from 5.08 A): 1 out of 7 assignments used, quality = 0.38: HA LEU 69 + QD1 LEU 96 OK 38 38 100 100 4.7-5.5 11811/2.1=80, ~11805=69...(14) HA ALA 108 - QD1 LEU 103 far 7 65 10 - 5.9-7.1 HA ALA 109 - QD1 LEU 103 far 0 65 0 - 6.6-7.5 HA ALA 110 - QD1 LEU 103 far 0 83 0 - 6.8-8.4 HA GLN 61 - QD1 LEU 103 far 0 76 0 - 7.3-8.6 HA SER 74 - QD1 LEU 96 far 0 61 0 - 8.5-9.5 HA GLN 61 - QD1 LEU 96 far 0 45 0 - 9.9-10.6 Violated in 1 structures by 0.00 A. Peak 11711 from cnoeabs.peaks (7.79, 0.74, 25.24 ppm; 5.93 A): 1 out of 2 assignments used, quality = 1.00: HD22 ASN 59 + QD2 LEU 103 OK 100 100 100 100 4.1-6.0 11427/2.1=98...(12) HD22 ASN 121 - QD2 LEU 103 far 0 96 0 - 8.4-9.5 Violated in 4 structures by 0.01 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: H LEU 62 + QD2 LEU 103 OK 100 100 100 100 3.7-4.4 3.9/11823=95...(9) HE22 GLN 104 + QD2 LEU 103 OK 100 100 100 100 2.7-5.9 3.5/11828=84...(5) H GLN 61 + QD2 LEU 103 OK 84 98 100 86 5.3-5.9 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 2.8-5.2 11424/2.1=100...(13) Violated in 0 structures by 0.00 A. Peak 11714 from cnoeabs.peaks (8.19, 0.78, 24.12 ppm; 5.38 A increased from 5.06 A): 4 out of 5 assignments used, quality = 1.00: H VAL 63 + QD1 LEU 103 OK 95 96 100 100 4.5-5.7 ~11832=65, ~11720=57...(12) H LEU 122 + QD1 LEU 96 OK 66 67 100 98 4.7-5.6 2.9/3100=29, 3855/4.0=28...(26) H LEU 122 + QD1 LEU 103 OK 63 99 75 85 5.3-6.2 11748/11612=43...(12) H GLN 127 + QD1 LEU 96 OK 50 66 95 80 5.6-6.0 3.6/11452=51...(5) H VAL 63 - QD1 LEU 96 far 0 62 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 11715 from cnoeabs.peaks (8.21, 0.74, 25.24 ppm; 4.84 A): 3 out of 4 assignments used, quality = 0.99: H VAL 63 + QD2 LEU 103 OK 97 97 100 100 2.7-3.3 2.9/11832=82...(15) H SER 107 + QD2 LEU 103 OK 31 76 65 62 5.2-5.8 ~10115=19, ~11630=15...(10) H LEU 122 + QD2 LEU 103 OK 29 63 85 54 4.7-5.7 3.5/3386=18...(9) H GLN 127 - QD2 LEU 103 far 0 93 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 11716 from cnoeabs.peaks (2.06, 0.74, 25.24 ppm; 3.86 A): 2 out of 6 assignments used, quality = 1.00: HB VAL 118 + QD2 LEU 103 OK 100 100 100 100 3.4-4.4 11611/2.1=82, ~10265=46...(27) HB2 LEU 62 + QD2 LEU 103 OK 99 100 100 99 2.0-2.9 1.8/11823=81...(14) HB2 GLU 102 - QD2 LEU 103 far 0 73 0 - 6.0-7.7 HG2 PRO 117 - QD2 LEU 103 far 0 100 0 - 7.5-8.3 HG3 PRO 58 - QD2 LEU 103 far 0 93 0 - 8.4-9.0 HG3 PRO 117 - QD2 LEU 103 far 0 99 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 11717 from cnoeabs.peaks (2.22, 0.74, 25.24 ppm; 4.73 A): 1 out of 7 assignments used, quality = 0.99: HB3 GLN 104 + QD2 LEU 103 OK 99 100 100 99 4.2-4.7 7494/7491=70...(18) HB3 GLU 102 - QD2 LEU 103 far 0 99 0 - 6.5-7.3 HB2 GLN 101 - QD2 LEU 103 far 0 90 0 - 8.0-8.3 HB3 LEU 96 - QD2 LEU 103 far 0 93 0 - 8.6-9.5 HG2 GLN 68 - QD2 LEU 103 far 0 98 0 - 8.6-10.5 HB3 GLU 97 - QD2 LEU 103 far 0 99 0 - 8.7-9.4 HB2 GLN 68 - QD2 LEU 103 far 0 100 0 - 9.1-10.8 Violated in 0 structures by 0.00 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 3.3-4.0 3.0/10350=91...(21) Violated in 0 structures by 0.00 A. Peak 11719 from cnoeabs.peaks (2.90, 0.74, 25.24 ppm; 6.11 A): 1 out of 1 assignment used, quality = 0.38: HB3 ASN 116 + QD2 LEU 103 OK 38 60 100 63 5.4-6.2 3.5/11416=28, ~10232=26...(5) Violated in 1 structures by 0.01 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 2.4-2.8 11509/3.1=48...(35) HB2 HIS 67 - QD2 LEU 103 far 0 78 0 - 6.7-8.4 Violated in 0 structures by 0.00 A. Peak 11721 from cnoeabs.peaks (1.13, 0.74, 25.24 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.86: HB3 LEU 62 + QD2 LEU 103 OK 86 89 100 97 2.3-3.2 1.8/11826=48...(13) QG2 THR 115 - QD2 LEU 103 far 0 99 0 - 6.2-7.3 Violated in 0 structures by 0.00 A. Peak 11722 from cnoeabs.peaks (0.91, 0.74, 25.24 ppm; 2.86 A): 3 out of 9 assignments used, quality = 1.00: QG1 VAL 118 + QD2 LEU 103 OK 97 99 100 98 1.9-3.2 11612/2.1=32...(23) QG2 VAL 63 + QD2 LEU 103 OK 96 100 100 96 1.6-2.0 2034/11832=28...(37) QD1 LEU 62 + QD2 LEU 103 OK 83 99 100 83 2.9-3.4 3.2/11823=32...(16) QD1 LEU 49 - QD2 LEU 103 far 0 99 0 - 6.0-6.9 QD2 LEU 123 - QD2 LEU 103 far 0 78 0 - 7.1-8.1 QG2 VAL 112 - QD2 LEU 103 far 0 89 0 - 7.3-8.6 QD1 LEU 123 - QD2 LEU 103 far 0 81 0 - 7.6-8.6 QD1 LEU 48 - QD2 LEU 103 far 0 89 0 - 8.6-9.7 QD2 LEU 48 - QD2 LEU 103 far 0 100 0 - 8.7-10.2 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 4.1-4.5 ~11743=56, ~10545=56...(22) HA ASN 85 + QG1 VAL 132 OK 48 48 100 100 1.9-2.1 3.0/9794=75, 4.5/9801=53...(21) Violated in 0 structures by 0.00 A. Peak 11724 from cnoeabs.peaks (4.01, 0.79, 26.18 ppm; 3.46 A): 3 out of 18 assignments used, quality = 0.99: HB3 SER 99 + QD2 LEU 122 OK 90 91 100 99 1.8-3.9 11476=52, 3.0/11481=35...(25) HA SER 50 + QD1 LEU 53 OK 88 90 100 98 1.8-3.9 9218=54, 11636/11422=47...(19) HA LEU 96 + QD2 LEU 122 OK 35 51 85 81 1.8-4.8 3.0/10337=22...(25) HA LEU 119 - QD2 LEU 122 poor 17 85 20 - 2.4-5.7 HA LEU 119 - QD1 LEU 53 far 14 95 15 - 3.8-5.1 HA LEU 103 - QD2 LEU 122 far 0 93 0 - 4.7-6.8 HA LYS 95 - QD2 LEU 122 far 0 91 0 - 5.3-8.1 HB3 SER 124 - QD1 LEU 53 far 0 89 0 - 6.0-8.0 HB2 SER 124 - QD2 LEU 122 far 0 78 0 - 6.3-7.9 HA LEU 96 - QD1 LEU 53 far 0 60 0 - 6.4-8.4 HB2 SER 124 - QD1 LEU 53 far 0 89 0 - 6.5-8.7 HB3 SER 99 - QD1 LEU 53 far 0 99 0 - 6.6-8.4 HB3 SER 124 - QD2 LEU 122 far 0 78 0 - 6.7-7.8 HA SER 60 - QD2 LEU 122 far 0 93 0 - 7.0-10.1 HA SER 50 - QD2 LEU 122 far 0 80 0 - 7.6-8.5 HA SER 60 - QD1 LEU 53 far 0 100 0 - 8.6-10.7 HA LEU 103 - QD1 LEU 53 far 0 100 0 - 8.8-10.5 HA GLN 68 - QD2 LEU 122 far 0 74 0 - 9.3-10.6 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 8 assignments used, quality = 0.92: HA LEU 119 + QD2 LEU 53 OK 86 97 100 88 2.3-3.2 2.9/1680=28...(17) HA SER 50 + QD2 LEU 53 OK 46 85 55 98 4.4-5.2 10373/2.1=70...(12) HB3 SER 99 - QD2 LEU 53 far 0 97 0 - 6.0-8.0 HB3 SER 124 - QD2 LEU 53 far 0 93 0 - 6.3-7.8 HA LEU 96 - QD2 LEU 53 far 0 68 0 - 7.1-8.9 HA LEU 103 - QD2 LEU 53 far 0 100 0 - 7.1-8.9 HB2 SER 124 - QD2 LEU 53 far 0 83 0 - 7.4-8.6 HA SER 60 - QD2 LEU 53 far 0 99 0 - 7.6-9.5 Violated in 0 structures by 0.00 A. Peak 11727 from cnoeabs.peaks (0.91, 4.18, 56.53 ppm; 4.08 A): 2 out of 9 assignments used, quality = 0.99: QD1 LEU 62 + HA LEU 53 OK 97 100 100 97 2.0-3.4 2.1/10038=77...(8) QD2 LEU 123 + HA LEU 53 OK 50 68 100 73 3.9-4.5 11422/3.8=35...(7) QD1 LEU 123 - HA LEU 53 far 0 89 0 - 5.4-6.0 QD1 LEU 49 - HA LEU 53 far 0 100 0 - 7.5-8.5 QG1 VAL 118 - HA LEU 53 far 0 97 0 - 7.7-9.0 QG2 VAL 63 - HA LEU 53 far 0 100 0 - 8.0-9.5 QD2 LEU 48 - HA LEU 53 far 0 100 0 - 8.1-9.6 QD1 LEU 48 - HA LEU 53 far 0 95 0 - 9.3-10.6 QG2 VAL 112 - HA LEU 53 far 0 95 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 11728 from cnoeabs.peaks (8.04, 0.79, 26.18 ppm; 4.95 A): 3 out of 7 assignments used, quality = 1.00: H ALA 52 + QD1 LEU 53 OK 96 96 100 100 3.6-5.0 3.3/6667=84, 10963=72...(20) H CYS 125 + QD2 LEU 122 OK 79 93 85 100 4.6-6.3 10366=100, 10363/3.1=56...(13) H CYS 125 + QD1 LEU 53 OK 53 100 65 81 4.8-7.3 3.4/11585=61...(10) H LEU 48 - QD1 LEU 53 far 0 100 0 - 6.5-7.3 H SER 130 - QD1 LEU 53 far 0 100 0 - 7.9-10.2 H ALA 52 - QD2 LEU 122 far 0 86 0 - 8.7-10.4 H SER 130 - QD2 LEU 122 far 0 92 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 11730 from cnoeabs.peaks (8.49, 1.79, 41.89 ppm; 5.30 A increased from 4.99 A): 3 out of 8 assignments used, quality = 1.00: H LEU 100 + HB3 LEU 103 OK 99 100 100 99 4.7-5.2 10047/3.9=50, ~3370=35...(20) H LEU 100 + HB3 LEU 98 OK 82 91 90 100 5.0-6.0 7391/3.0=59, ~3166=58...(31) H GLU 97 + HB3 LEU 98 OK 39 87 45 100 5.8-6.1 3.9/7364=81, 9997/1.8=73...(8) H LEU 100 - HB3 LEU 122 far 5 100 5 - 3.1-6.9 H GLU 97 - HB3 LEU 122 far 5 97 5 - 5.6-8.6 H SER 9 - HB3 LEU 98 far 0 91 0 - 8.6-40.9 H LEU 70 - HB3 LEU 122 far 0 70 0 - 9.2-10.1 H GLU 97 - HB3 LEU 103 far 0 97 0 - 9.3-9.8 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 - 5.9-8.0 H ALA 92 - HG LEU 98 far 0 98 0 - 9.6-10.6 Violated in 20 structures by 2.80 A. Peak 11738 from cnoeabs.peaks (2.95, 4.35, 56.69 ppm; 4.45 A): 3 out of 13 assignments used, quality = 0.96: HE2 LYS 39 + HA GLN 134 OK 82 92 95 94 2.1-5.8 2.9/11683=47...(11) HE3 LYS 39 + HA GLN 134 OK 75 85 100 89 1.8-4.4 2.9/11683=47...(10) HE2 LYS 24 + HA LYS 24 OK 22 45 50 97 2.7-6.2 4.0/513=52, 4.0/524=48...(20) HE3 LYS 24 - HA LYS 24 poor 19 40 50 97 2.4-6.1 4.0/513=52, 4.0/524=48...(20) HD2 ARG 135 - HA GLN 134 far 0 99 0 - 5.7-8.0 HE3 LYS 26 - HA LYS 24 far 0 33 0 - 7.0-9.5 HE2 LYS 26 - HA LYS 24 far 0 33 0 - 7.2-10.8 HB2 CYS 45 - HA ASP 47 far 0 90 0 - 7.5-8.3 HE2 LYS 31 - HA LYS 24 far 0 37 0 - 9.3-22.5 HE2 LYS 39 - HA ASP 47 far 0 79 0 - 9.5-12.9 HE3 LYS 86 - HA LYS 24 far 0 42 0 - 9.7-25.0 HG CYS 73 - HA ASP 47 far 0 86 0 - 9.9-10.6 HE3 LYS 39 - HA ASP 47 far 0 72 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 11739 from cnoeabs.peaks (0.72, 2.33, 30.54 ppm; 6.27 A): 1 out of 2 assignments used, quality = 0.76: QD1 LEU 43 + HB3 GLN 134 OK 76 76 100 100 2.2-4.9 2.1/11074=99...(24) HG12 ILE 129 - HB3 GLN 134 far 0 63 0 - 9.8-12.5 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 3.6-5.4 9126/1.8=93, 9121/2.9=88...(22) Violated in 0 structures by 0.00 A. Peak 11741 from cnoeabs.peaks (1.49, 1.06, 19.25 ppm; 5.25 A increased from 4.42 A): 1 out of 2 assignments used, quality = 0.85: HG3 LYS 86 + QG1 VAL 77 OK 85 85 100 100 3.0-5.1 1.8/9650=99...(29) HG LEU 42 - QG1 VAL 77 far 0 99 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 11742 from cnoeabs.peaks (1.42, 1.18, 22.07 ppm; 3.52 A): 1 out of 6 assignments used, quality = 1.00: HG2 LYS 86 + QG2 VAL 77 OK 100 100 100 100 1.7-1.9 1.8/11743=65, 11340=59...(31) HG3 LYS 19 - QG2 VAL 77 far 0 81 0 - 4.9-30.4 QB ALA 92 - QG2 VAL 77 far 0 99 0 - 6.1-6.5 QB ALA 34 - QG2 VAL 77 far 0 100 0 - 6.9-8.6 QB ALA 16 - QG2 VAL 77 far 0 87 0 - 8.4-29.0 HG LEU 96 - QG2 VAL 77 far 0 71 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 11743 from cnoeabs.peaks (1.50, 1.18, 22.07 ppm; 3.78 A): 1 out of 2 assignments used, quality = 0.78: HG3 LYS 86 + QG2 VAL 77 OK 78 78 100 100 1.9-3.5 1.8/11742=81...(27) HG LEU 42 - QG2 VAL 77 far 0 97 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 11744 from cnoeabs.peaks (1.04, 3.78, 62.15 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: QG2 VAL 133 + HA SER 130 OK 100 100 100 100 2.5-3.8 11090/11747=75...(22) Violated in 0 structures by 0.00 A. Peak 11745 from cnoeabs.peaks (0.93, 3.78, 62.15 ppm; 5.90 A increased from 5.25 A): 1 out of 6 assignments used, quality = 0.67: QG1 VAL 126 + HA SER 130 OK 67 76 100 89 5.2-6.0 10409/11864=48...(8) QG2 VAL 126 - HA SER 130 far 0 57 0 - 7.0-8.0 QD1 LEU 49 - HA SER 130 far 0 81 0 - 7.6-8.3 QG2 ILE 37 - HA SER 130 far 0 100 0 - 8.0-8.7 QD1 LEU 123 - HA SER 130 far 0 99 0 - 8.7-9.4 QD1 LEU 48 - HA SER 130 far 0 97 0 - 9.8-10.9 Violated in 2 structures by 0.01 A. Peak 11746 from cnoeabs.peaks (0.82, 3.78, 62.15 ppm; 4.58 A): 2 out of 6 assignments used, quality = 1.00: QG2 ILE 129 + HA SER 130 OK 100 100 100 100 3.5-4.4 4143/2.9=76, 11232=54...(27) QG1 VAL 133 + HA SER 130 OK 85 85 100 100 2.9-4.5 2.1/11861=77...(18) HG13 ILE 80 - HA SER 130 far 0 99 0 - 7.6-8.2 QG2 ILE 80 - HA SER 130 far 0 100 0 - 8.5-9.4 QD2 LEU 49 - HA SER 130 far 0 81 0 - 9.0-9.8 QD1 LEU 53 - HA SER 130 far 0 73 0 - 9.5-11.9 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 5 assignments used, quality = 1.00: QD2 LEU 43 + HA SER 130 OK 100 100 100 100 1.8-2.3 11805/3.0=64...(30) HG12 ILE 129 - HA SER 130 far 0 100 0 - 5.8-6.4 QD2 LEU 96 - HA SER 130 far 0 100 0 - 7.1-8.3 QD1 LEU 96 - HA SER 130 far 0 85 0 - 8.7-9.6 QG1 VAL 93 - HA SER 130 far 0 100 0 - 8.7-9.3 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 1.8-2.4 2.7/9677=95, 4.5/9676=66...(23) HB2 PHE 89 + QG2 VAL 77 OK 87 87 100 100 3.1-3.8 2.7/9677=95, 4.5/9676=66...(25) HB3 CYS 73 + QG2 VAL 77 OK 73 97 100 76 4.8-5.4 9581/9969=41...(8) HB3 TYR 72 - QG2 VAL 77 far 0 99 0 - 8.2-8.7 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 4.9-5.4 11865/2.1=99...(18) 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 2.7-3.2 2.9/11192=79...(19) 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 7 assignments used, quality = 0.90: HA HIS 10 + HB3 SER 9 OK 69 76 95 96 3.8-6.2 ~6054=56, ~100=54...(6) HA HIS 10 + HB2 SER 9 OK 69 76 95 96 4.0-5.8 ~6054=56, ~100=54...(6) HA HIS 7 - HB2 SER 9 far 4 76 5 - 5.4-9.5 HA HIS 7 - HB3 SER 9 far 0 76 0 - 6.6-9.5 HA ASN 13 - HB3 SER 9 far 0 96 0 - 7.8-13.5 HA ASN 13 - HB2 SER 9 far 0 96 0 - 9.3-14.5 HA HIS 4 - HB3 SER 9 far 0 60 0 - 9.8-20.0 Violated in 1 structures by 0.00 A. Peak 11758 from cnoeabs.peaks (8.42, 2.47, 31.70 ppm; 4.86 A): 2 out of 5 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...(7) H ALA 12 + HG2 MET 11 OK 65 65 100 99 4.0-4.8 3.6/130=78, 4.6/6069=61...(6) H ASN 13 - HG2 MET 11 far 0 85 0 - 5.8-8.1 H VAL 93 - HG2 MET 11 far 0 89 0 - 8.6-41.3 H SER 74 - HG2 MET 11 far 0 97 0 - 9.0-37.0 Violated in 0 structures by 0.00 A. Peak 11759 from cnoeabs.peaks (1.37, 2.81, 38.79 ppm; 6.12 A increased from 5.44 A): 2 out of 6 assignments used, quality = 0.99: QB ALA 12 + HB2 ASN 13 OK 97 97 100 100 5.3-5.8 3.7/176=95, 10657/3.5=82...(5) QB ALA 15 + HB2 ASN 13 OK 75 96 95 83 4.1-7.3 10659/6107=72...(3) HG2 LYS 19 - HB2 ASN 13 far 5 99 5 - 5.5-16.6 HG2 LYS 95 - HB2 ASN 13 far 4 89 5 - 6.2-45.6 HG3 LYS 95 - HB2 ASN 13 far 0 92 0 - 7.4-44.0 QB ALA 21 - HB2 ASN 13 far 0 60 0 - 7.9-15.9 Violated in 0 structures by 0.00 A. Peak 11763 from cnoeabs.peaks (1.17, 4.27, 56.54 ppm; 4.20 A): 2 out of 12 assignments used, quality = 1.00: QG2 THR 18 + HA LYS 19 OK 98 100 100 98 2.8-2.9 6147/3.0=70, ~6146=42...(12) QG2 THR 25 + HA LYS 26 OK 72 92 80 98 3.4-5.6 6248/2.9=70, ~6247=41...(13) HG12 ILE 32 - HA LYS 26 poor 19 95 20 - 2.0-7.2 QG2 THR 25 - HA LYS 19 far 5 93 5 - 4.1-13.8 QB ALA 41 - HA LYS 36 far 0 70 0 - 5.5-6.5 HG12 ILE 32 - HA LYS 31 far 0 83 0 - 5.6-6.4 QG2 THR 25 - HA LYS 31 far 0 79 0 - 7.8-13.1 QG2 VAL 77 - HA LYS 19 far 0 99 0 - 8.3-28.9 QG2 THR 18 - HA LYS 26 far 0 100 0 - 8.5-14.9 QG2 THR 18 - HA LYS 31 far 0 89 0 - 8.9-23.7 HG12 ILE 32 - HA LYS 36 far 0 64 0 - 9.0-10.4 QG2 THR 25 - HA LYS 36 far 0 61 0 - 9.4-15.4 Violated in 0 structures by 0.00 A. Peak 11764 from cnoeabs.peaks (0.90, 4.27, 56.54 ppm; 5.04 A increased from 4.48 A): 1 out of 9 assignments used, quality = 0.99: QG1 VAL 20 + HA LYS 19 OK 99 99 100 100 4.3-4.9 6171/3.6=89...(13) QD1 LEU 22 - HA LYS 26 poor 20 98 20 - 3.6-10.1 QG2 VAL 20 - HA LYS 19 far 10 97 10 - 5.5-6.1 QG2 VAL 20 - HA LYS 26 far 10 96 10 - 4.7-11.8 QG1 VAL 20 - HA LYS 31 far 4 87 5 - 5.0-19.8 QG2 VAL 20 - HA LYS 31 far 4 84 5 - 4.6-19.9 QD1 LEU 22 - HA LYS 19 lone 1 99 25 3 4.3-8.4 QG1 VAL 20 - HA LYS 26 far 0 99 0 - 6.2-12.6 QD1 LEU 22 - HA LYS 31 far 0 87 0 - 7.3-19.3 Violated in 0 structures by 0.00 A. Peak 11770 from cnoeabs.peaks (2.97, 4.27, 56.54 ppm; 5.04 A increased from 4.48 A): 8 out of 27 assignments used, quality = 1.00: HE3 LYS 26 + HA LYS 26 OK 90 100 95 95 3.0-6.3 6.6=45, 3.6/627=28...(22) HE2 LYS 31 + HA LYS 31 OK 86 89 100 97 2.1-5.2 6.5=47, 3.7/822=31...(27) HE3 LYS 31 + HA LYS 31 OK 82 89 95 97 2.0-5.9 6.5=47, 3.7/822=31...(27) HE3 LYS 19 + HA LYS 19 OK 69 100 70 98 4.9-6.3 6.4=49, 3.8/271=29...(35) HE3 LYS 36 + HA LYS 36 OK 55 69 80 99 5.0-6.5 6.0=60, 1064/3.0=38...(23) HE2 LYS 26 + HA LYS 26 OK 29 100 30 96 3.7-6.4 6.6=45, 3.6/627=28...(23) HE2 LYS 19 + HA LYS 19 OK 24 99 25 98 5.1-6.2 6.4=49, 3.8/271=29...(35) HE2 LYS 36 + HA LYS 36 OK 23 66 35 99 5.2-6.5 6.0=60, 1064/3.0=38...(23) HE3 LYS 24 - HA LYS 19 far 5 100 5 - 5.0-13.6 HE2 LYS 26 - HA LYS 36 far 4 70 5 - 4.3-11.5 HE3 LYS 26 - HA LYS 36 far 0 70 0 - 5.8-13.1 HE2 LYS 24 - HA LYS 19 far 0 97 0 - 5.8-13.5 HE3 LYS 31 - HA LYS 19 far 0 100 0 - 6.3-26.2 HE2 LYS 26 - HA LYS 31 far 0 89 0 - 6.4-11.5 HE3 LYS 26 - HA LYS 31 far 0 89 0 - 6.8-12.3 HE2 LYS 31 - HA LYS 19 far 0 100 0 - 7.1-26.6 HE3 LYS 36 - HA LYS 31 far 0 88 0 - 7.4-9.6 HE3 LYS 31 - HA LYS 26 far 0 100 0 - 7.5-15.0 HE2 LYS 36 - HA LYS 31 far 0 85 0 - 7.6-9.8 HE2 LYS 31 - HA LYS 26 far 0 100 0 - 8.2-15.4 HE3 LYS 24 - HA LYS 26 far 0 99 0 - 8.6-11.9 HE3 LYS 19 - HA LYS 31 far 0 89 0 - 8.7-28.4 HE2 LYS 24 - HA LYS 26 far 0 95 0 - 9.3-11.8 HE3 LYS 86 - HA LYS 19 far 0 99 0 - 9.3-33.7 HE3 LYS 26 - HA LYS 19 far 0 100 0 - 9.6-19.2 HE2 LYS 19 - HA LYS 26 far 0 98 0 - 9.6-18.3 HE2 LYS 19 - HA LYS 31 far 0 86 0 - 10.0-26.8 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 23 assignments used, quality = 0.86: QG2 VAL 112 + HA ALA 109 OK 81 83 100 97 2.6-3.4 11548/2.1=68, ~10135=31...(12) QG1 VAL 20 + HA ALA 21 OK 28 93 35 87 3.4-5.4 353/3.0=38, ~6177=22...(13) QG1 VAL 20 - HA ALA 16 far 6 63 10 - 2.3-8.0 QG2 VAL 112 - HA ALA 110 far 0 73 0 - 4.4-5.5 QG1 VAL 20 - HA ALA 15 far 0 88 0 - 4.9-10.3 QG1 VAL 20 - HA ALA 12 far 0 90 0 - 5.7-19.1 QG2 VAL 63 - HA ALA 108 far 0 46 0 - 5.8-7.5 QD1 LEU 22 - HA ALA 21 far 0 65 0 - 6.1-6.8 QD1 LEU 119 - HA ALA 109 far 0 62 0 - 6.2-7.6 QG2 VAL 112 - HA ALA 108 far 0 51 0 - 6.3-7.2 QG2 VAL 63 - HA ALA 110 far 0 67 0 - 6.6-8.5 QD1 LEU 62 - HA ALA 110 far 0 70 0 - 7.5-9.4 QG2 VAL 63 - HA ALA 109 far 0 77 0 - 7.9-9.2 QD1 LEU 119 - HA ALA 110 far 0 54 0 - 8.0-9.2 QG1 VAL 57 - HA ALA 110 far 0 41 0 - 8.1-9.8 QD1 LEU 119 - HA ALA 108 far 0 36 0 - 8.2-9.5 QG1 VAL 118 - HA ALA 108 far 0 34 0 - 8.3-10.3 QD1 LEU 62 - HA ALA 109 far 0 80 0 - 8.6-9.5 QD1 LEU 62 - HA ALA 108 far 0 49 0 - 8.9-10.3 QG1 VAL 118 - HA ALA 109 far 0 58 0 - 9.2-10.7 QG2 ILE 37 - HA ALA 15 far 0 88 0 - 9.3-32.2 QG1 VAL 118 - HA ALA 110 far 0 50 0 - 9.7-11.9 QD1 LEU 22 - HA ALA 16 far 0 40 0 - 9.9-14.1 Violated in 1 structures by 0.00 A. Peak 11772 from cnoeabs.peaks (4.00, 0.93, 23.65 ppm; 3.24 A): 2 out of 21 assignments used, quality = 0.95: HA SER 50 + QD1 LEU 123 OK 94 100 100 94 1.8-2.2 11636/2.1=57...(18) HA THR 65 + QD1 LEU 49 OK 21 29 75 95 3.5-4.4 3.0/9421=24, ~9431=22...(25) HA GLN 127 - QD1 LEU 123 far 0 65 0 - 3.9-4.1 HB3 SER 51 - QD2 LEU 48 far 0 35 0 - 4.2-5.1 HA THR 65 - QD2 LEU 48 far 0 23 0 - 5.1-6.5 HB2 SER 124 - QD1 LEU 123 far 0 100 0 - 5.1-5.6 HA SER 50 - QD1 LEU 49 far 0 53 0 - 5.3-5.9 HA GLN 127 - QD1 LEU 49 far 0 28 0 - 5.6-6.5 HA GLN 68 - QD1 LEU 49 far 0 53 0 - 5.9-6.7 HB3 SER 51 - QD1 LEU 123 far 0 92 0 - 6.2-7.6 HB3 SER 51 - QD1 LEU 49 far 0 44 0 - 6.5-8.1 HA LEU 119 - QD1 LEU 123 far 0 60 0 - 6.7-7.6 HA SER 50 - QD2 LEU 48 far 0 43 0 - 7.7-7.9 HA LEU 119 - QD1 LEU 49 far 0 25 0 - 8.1-8.4 HB3 SER 99 - QD1 LEU 49 far 0 50 0 - 8.3-9.9 HB3 SER 99 - QD1 LEU 123 far 0 98 0 - 8.8-9.7 HA GLN 127 - QD2 LEU 48 far 0 22 0 - 8.8-10.3 HA GLN 68 - QD2 LEU 48 far 0 42 0 - 8.9-10.0 HB2 SER 124 - QD1 LEU 49 far 0 53 0 - 9.5-10.3 HA SER 60 - QD1 LEU 49 far 0 46 0 - 9.9-10.6 HA THR 65 - QD1 LEU 123 far 0 68 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 11773 from cnoeabs.peaks (0.87, 3.84, 62.56 ppm; 5.18 A): 1 out of 6 assignments used, quality = 0.97: QD2 LEU 123 + HB2 SER 50 OK 97 97 100 100 3.9-5.6 11636/3.0=88, ~11339=71...(23) QD2 LEU 69 - HB2 SER 130 poor 14 71 30 65 5.6-7.6 11045/11718=54...(4) QD2 LEU 69 - HB2 SER 50 far 0 100 0 - 5.9-7.7 QD2 LEU 123 - HB2 SER 130 far 0 67 0 - 9.0-11.0 QG2 VAL 57 - HB2 SER 50 far 0 96 0 - 9.0-9.4 QD2 LEU 70 - HB2 SER 130 far 0 57 0 - 9.3-11.6 Violated in 3 structures by 0.04 A. Peak 11774 from cnoeabs.peaks (0.94, 4.42, 61.58 ppm; 6.24 A increased from 5.87 A): 2 out of 7 assignments used, quality = 0.99: QD1 LEU 123 + HA THR 54 OK 96 97 100 100 5.6-6.4 ~11583=82, ~11510=81...(7) QD2 LEU 53 + HA THR 54 OK 63 63 100 100 5.3-5.9 ~9278=71, ~9278=70...(7) QD1 LEU 62 - HA THR 54 poor 10 71 60 24 5.8-7.4 9279/3.6=22 QD1 LEU 119 - HA THR 54 far 0 100 0 - 7.3-9.0 QG1 VAL 57 - HA THR 54 far 0 97 0 - 7.4-7.9 QG1 VAL 126 - HA THR 54 far 0 87 0 - 9.5-10.7 QD2 LEU 48 - HA THR 54 far 0 57 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 11775 from cnoeabs.peaks (1.19, 3.07, 41.80 ppm; 4.14 A): 1 out of 4 assignments used, quality = 0.98: QG2 VAL 77 + HE2 LYS 86 OK 98 98 100 100 1.8-4.0 11196=97, 9660/1.8=75...(20) HG12 ILE 80 - HE2 LYS 86 far 0 81 0 - 4.8-7.1 QG2 THR 18 - HE2 LYS 86 far 0 85 0 - 8.9-28.7 QG2 THR 25 - HE2 LYS 86 far 0 100 0 - 9.6-17.8 Violated in 0 structures by 0.00 A. Peak 11776 from cnoeabs.peaks (1.05, 3.07, 41.80 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.97: QG1 VAL 77 + HE2 LYS 86 OK 97 97 100 100 2.0-4.3 11201=94, 2.1/11196=88...(20) QG2 VAL 133 - HE2 LYS 86 far 0 97 0 - 7.0-8.4 Violated in 0 structures by 0.00 A. Peak 11777 from cnoeabs.peaks (0.82, 3.07, 41.80 ppm; 4.95 A): 1 out of 6 assignments used, quality = 0.99: QG2 ILE 80 + HE2 LYS 86 OK 99 99 100 100 2.3-5.0 11243=89, 11240/2695=66...(31) HG13 ILE 80 - HE2 LYS 86 far 15 100 15 - 4.5-6.9 QD2 LEU 22 - HE2 LYS 86 far 0 78 0 - 6.4-22.4 QG1 VAL 133 - HE2 LYS 86 far 0 89 0 - 7.6-10.4 QG2 ILE 129 - HE2 LYS 86 far 0 100 0 - 7.8-9.5 QD1 LEU 70 - HE2 LYS 86 far 0 100 0 - 9.7-12.4 Violated in 3 structures by 0.00 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 3.2-3.7 9729=99, 2.1/9819=97...(32) HG3 ARG 90 + HA LYS 86 OK 81 97 85 99 5.0-6.8 11303/11193=72...(11) HG13 ILE 129 - HA LYS 86 far 0 100 0 - 7.8-11.1 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 4.3-4.9 2.1/9818=100, ~9663=91...(24) 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 5 assignments used, quality = 0.98: HD2 LYS 86 + HA ASP 78 OK 94 100 100 94 2.3-3.2 11180/9695=72...(7) HD3 LYS 86 + HA ASP 78 OK 74 100 100 74 3.8-4.6 ~11209=36...(5) HD3 LYS 19 - HA ASP 78 far 0 96 0 - 6.1-33.1 HD2 LYS 19 - HA ASP 78 far 0 96 0 - 7.7-33.1 HD2 LYS 24 - HA ASP 78 far 0 100 0 - 10.0-23.9 Violated in 0 structures by 0.00 A. Peak 11790 from cnoeabs.peaks (7.55, 3.07, 41.80 ppm; 6.14 A increased from 5.46 A): 1 out of 2 assignments used, quality = 1.00: H VAL 77 + HE2 LYS 86 OK 100 100 100 100 5.5-6.3 7043/11876=95...(5) H GLN 82 - HE2 LYS 86 poor 20 98 20 - 3.9-9.9 Violated in 2 structures by 0.02 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): 3 out of 7 assignments used, quality = 1.00: HB2 LEU 122 + QD1 LEU 100 OK 99 99 100 100 3.5-4.9 3.1/9487=88...(30) HG LEU 70 + QD1 LEU 100 OK 97 97 100 100 2.5-3.3 2.1/11115=96...(13) HG LEU 122 + QD1 LEU 100 OK 95 100 95 100 3.2-5.4 2.1/9487=98, 3887/2.1=43...(27) HG LEU 49 - QD1 LEU 100 far 0 60 0 - 5.4-6.2 HB2 LEU 103 - QD1 LEU 100 far 0 73 0 - 6.0-6.4 HG LEU 119 - QD1 LEU 100 far 0 83 0 - 8.6-9.8 HG2 ARG 23 - QD1 LEU 100 far 0 68 0 - 9.9-27.2 Violated in 0 structures by 0.00 A. Peak 11793 from cnoeabs.peaks (1.59, 0.68, 23.19 ppm; 4.04 A increased from 3.40 A): 4 out of 11 assignments used, quality = 0.96: HG LEU 49 + QD2 LEU 62 OK 67 90 100 75 3.6-4.2 10992/9432=40...(8) HB2 LEU 103 + QD2 LEU 100 OK 55 61 100 92 4.0-4.6 11509/9386=30...(17) HG LEU 122 + QD2 LEU 100 OK 51 54 95 99 2.0-4.8 ~9487=55, ~9487=38...(28) HB2 LEU 122 + QD2 LEU 100 OK 40 48 85 98 3.6-5.3 ~9487=39, ~9487=28...(30) HG LEU 70 - QD2 LEU 100 far 0 43 0 - 4.8-5.6 HB2 LEU 122 - QD2 LEU 62 far 0 83 0 - 4.8-7.0 HG LEU 49 - QD2 LEU 100 far 0 54 0 - 5.0-5.7 HG LEU 122 - QD2 LEU 62 far 0 90 0 - 5.3-6.7 HB2 LEU 103 - QD2 LEU 62 far 0 97 0 - 7.1-7.8 HG LEU 123 - QD2 LEU 62 far 0 81 0 - 7.1-7.8 HG LEU 123 - QD2 LEU 100 far 0 47 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 11794 from cnoeabs.peaks (4.45, 1.39, 19.38 ppm; 5.22 A): 4 out of 12 assignments used, quality = 1.00: HA PRO 58 + QB ALA 109 OK 90 99 100 90 3.8-5.6 6709/9349=56, 10925=49...(7) HA SER 106 + QB ALA 108 OK 83 83 100 100 3.3-3.9 11532=96, 3.6/10101=72...(8) HA PRO 58 + QB ALA 110 OK 66 83 95 84 4.3-5.9 2.3/10930=44, 10925=43...(8) HA VAL 112 + QB ALA 109 OK 65 65 100 100 4.1-4.9 3.2/11548=95...(18) HA SER 106 - QB ALA 109 far 10 97 10 - 5.5-7.5 HA VAL 112 - QB ALA 110 far 2 49 5 - 5.8-6.9 HA MET 11 - QB ALA 15 far 2 47 5 - 5.3-12.4 HA MET 11 - QB ALA 16 far 0 25 0 - 7.4-16.0 HA PRO 58 - QB ALA 108 far 0 86 0 - 8.0-9.5 HA SER 106 - QB ALA 110 far 0 79 0 - 8.3-10.8 HA VAL 112 - QB ALA 108 far 0 52 0 - 9.1-10.0 HA ASN 120 - QB ALA 109 far 0 73 0 - 9.9-11.2 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 3.8-4.5 10639=99, 1.8/10638=87...(21) HB2 ARG 84 - HA VAL 132 far 0 97 0 - 7.0-9.2 HB2 LYS 86 - HA VAL 132 far 0 73 0 - 9.2-10.2 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 3.9-4.6 10638=100, 1.8/11884=92...(20) HB3 ARG 84 - HA VAL 132 far 0 100 0 - 7.5-9.2 Violated in 0 structures by 0.00 A. Peak 11798 from cnoeabs.peaks (1.13, 2.19, 31.57 ppm; 4.64 A): 3 out of 4 assignments used, quality = 0.91: HG3 LYS 39 + HB VAL 133 OK 76 76 100 100 3.1-4.5 11073/9128=52...(19) HG2 LYS 39 + HB VAL 133 OK 49 100 50 98 3.7-6.0 11778/2.1=51, ~11680=34...(18) QG2 VAL 132 + HB VAL 133 OK 25 100 25 100 5.1-5.6 4.4/7933=63, ~11764=58...(18) QG1 VAL 132 - HB VAL 133 far 0 100 0 - 5.3-6.0 Violated in 0 structures by 0.00 A. Peak 11799 from cnoeabs.peaks (1.14, 3.77, 65.08 ppm; 4.46 A increased from 4.20 A): 3 out of 4 assignments used, quality = 0.99: QG1 VAL 132 + HA VAL 133 OK 99 99 100 100 4.1-4.4 10538=74, 11738/9726=57...(26) HG3 LYS 39 + HA VAL 133 OK 38 87 45 97 4.4-5.4 11886/3.0=45...(17) HG2 LYS 39 + HA VAL 133 OK 34 100 35 97 4.3-7.0 11778/3.2=42, ~11886=32...(16) QG2 VAL 132 - HA VAL 133 far 0 100 0 - 5.2-5.4 Violated in 0 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 2.4-3.1 11891/2.1=81...(18) Violated in 0 structures by 0.00 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 1.9-2.6 2.2/9107=82...(17) 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 4.5-4.9 7935/10587=98...(10) H ASP 71 - QD2 LEU 42 far 0 97 0 - 8.2-8.5 H GLU 91 - QD2 LEU 42 far 0 78 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 11803 from cnoeabs.peaks (6.81, 3.48, 59.85 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: QE TYR 72 + HA LEU 42 OK 100 100 100 100 3.7-4.8 2.2/9113=100...(12) 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 2.4-3.9 9055=96, 1245/3.2=66...(18) HB2 SER 130 + QD1 LEU 43 OK 64 81 80 100 3.9-6.2 11805/2.1=89, ~10509=62...(18) HD2 PRO 81 - QD1 LEU 43 far 0 98 0 - 6.9-8.2 HB2 SER 50 - QD1 LEU 43 far 0 100 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 11805 from cnoeabs.peaks (3.85, 0.75, 22.33 ppm; 3.62 A): 1 out of 5 assignments used, quality = 0.62: HB2 SER 130 + QD2 LEU 43 OK 62 63 100 99 1.8-3.7 1.8/10509=63...(21) HA GLU 40 - QD2 LEU 43 far 0 99 0 - 4.8-5.0 HD2 PRO 81 - QD2 LEU 43 far 0 100 0 - 7.1-8.2 HB2 SER 50 - QD2 LEU 43 far 0 96 0 - 7.2-8.7 HA LEU 123 - QD2 LEU 43 far 0 100 0 - 9.8-10.7 Violated in 3 structures by 0.01 A. Peak 11806 from cnoeabs.peaks (1.14, 0.70, 25.73 ppm; 3.97 A): 2 out of 4 assignments used, quality = 1.00: HG2 LYS 39 + QD1 LEU 43 OK 99 100 100 99 1.8-4.0 ~11073=43, 4.0/9119=36...(34) HG3 LYS 39 + QD1 LEU 43 OK 86 87 100 99 1.8-2.8 11073/2.1=62...(35) QG2 VAL 132 - QD1 LEU 43 far 0 100 0 - 6.5-7.8 QG1 VAL 132 - QD1 LEU 43 far 0 99 0 - 7.2-8.0 Violated in 0 structures by 0.00 A. Peak 11807 from cnoeabs.peaks (1.02, 0.70, 25.73 ppm; 4.57 A increased from 4.30 A): 1 out of 2 assignments used, quality = 0.73: QG2 VAL 133 + QD1 LEU 43 OK 73 73 100 100 4.1-4.5 2.1/11677=95...(27) QD1 LEU 69 - QD1 LEU 43 far 0 99 0 - 6.6-6.9 Violated in 0 structures by 0.00 A. Peak 11809 from cnoeabs.peaks (1.51, 0.91, 26.02 ppm; 4.65 A increased from 4.37 A): 1 out of 3 assignments used, quality = 0.98: HB2 LEU 53 + QD1 LEU 62 OK 98 98 100 100 3.5-4.7 ~10338=53, 3.0/11002=53...(20) HB2 LEU 49 - QD1 LEU 62 far 0 92 0 - 6.1-7.3 HG LEU 69 - QD1 LEU 62 far 0 100 0 - 9.4-10.1 Violated in 1 structures by 0.00 A. Peak 11810 from cnoeabs.peaks (7.91, 0.78, 21.57 ppm; 5.00 A): 1 out of 3 assignments used, quality = 0.87: H GLN 104 + QG1 VAL 63 OK 87 87 100 100 2.6-3.5 11811/2.1=78...(26) H SER 106 - QG1 VAL 63 far 0 90 0 - 6.4-7.3 HD22 ASN 116 - QG1 VAL 63 far 0 100 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 11811 from cnoeabs.peaks (7.90, 0.91, 22.96 ppm; 4.49 A): 1 out of 6 assignments used, quality = 0.99: H GLN 104 + QG2 VAL 63 OK 99 99 100 100 2.1-2.9 7495/11440=64...(21) H SER 106 - QG2 VAL 63 far 0 100 0 - 5.3-6.3 HD22 ASN 116 - QG2 VAL 63 far 0 93 0 - 6.0-6.7 H GLU 128 - QD1 LEU 49 far 0 46 0 - 7.0-7.7 H THR 115 - QG2 VAL 63 far 0 100 0 - 9.4-11.6 H GLN 104 - QD1 LEU 49 far 0 57 0 - 9.6-11.1 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 3 assignments used, quality = 1.00: H LEU 49 + HA THR 65 OK 99 99 100 100 5.5-6.0 11703/3.2=90...(20) H LEU 69 + HA THR 65 OK 97 97 100 100 4.5-4.8 6893/2064=70...(15) H TYR 72 - HA THR 65 far 0 95 0 - 8.9-9.3 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 4 assignments used, quality = 1.00: HA CYS 45 + QG2 THR 65 OK 98 99 100 98 3.6-4.3 9155=73, 1437/10991=38...(14) HA LEU 48 + QG2 THR 65 OK 82 83 100 99 3.9-4.3 3.0/10991=58...(19) HA LEU 49 + QG2 THR 65 OK 78 78 100 100 2.3-3.1 2.9/11703=56...(17) HA ALA 52 - QG2 THR 65 far 0 100 0 - 6.2-6.6 Violated in 0 structures by 0.00 A. Peak 11814 from cnoeabs.peaks (1.13, 4.55, 60.48 ppm; 4.85 A): 0 out of 0 assignments used, quality = 0.00: Peak 11815 from cnoeabs.peaks (0.94, 4.55, 60.48 ppm; 4.85 A): 1 out of 5 assignments used, quality = 1.00: QG2 ILE 37 + HA TYR 72 OK 100 100 100 100 2.1-2.9 1094/10749=84...(24) QD1 LEU 49 - HA TYR 72 far 0 73 0 - 8.7-9.4 QG1 VAL 126 - HA TYR 72 far 0 83 0 - 9.2-9.8 QG2 VAL 126 - HA TYR 72 far 0 65 0 - 9.2-10.0 QD1 LEU 48 - HA TYR 72 far 0 95 0 - 9.6-10.7 Violated in 0 structures by 0.00 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 4.0-5.8 9538/3.0=99, ~11145=83...(11) Violated in 0 structures by 0.00 A. Peak 11817 from cnoeabs.peaks (4.30, 1.84, 27.19 ppm; 6.53 A): 1 out of 7 assignments used, quality = 0.99: HA TYR 76 + HB2 CYS 79 OK 99 99 100 100 3.6-4.0 11818/1.8=86...(7) HA LYS 24 - HB2 CYS 79 far 3 60 5 - 6.8-22.9 HA2 GLY 75 - HB2 CYS 79 far 0 96 0 - 7.1-7.8 HA ARG 23 - HB2 CYS 79 far 0 83 0 - 8.4-22.1 HA ALA 21 - HB2 CYS 79 far 0 90 0 - 8.6-27.7 HA THR 25 - HB2 CYS 79 far 0 92 0 - 9.3-19.5 HA SER 74 - HB2 CYS 79 far 0 92 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 11818 from cnoeabs.peaks (4.30, 2.61, 27.19 ppm; 6.35 A): 1 out of 7 assignments used, quality = 0.98: HA TYR 76 + HB3 CYS 79 OK 98 98 100 100 2.4-2.8 11817/1.8=81...(7) HA2 GLY 75 - HB3 CYS 79 lone 2 92 100 2 5.4-6.1 HA ALA 21 - HB3 CYS 79 far 0 95 0 - 7.6-26.7 HA LYS 36 - HB3 CYS 79 far 0 63 0 - 7.8-10.1 HA SER 74 - HB3 CYS 79 far 0 96 0 - 8.0-8.7 HA THR 25 - HB3 CYS 79 far 0 96 0 - 8.7-18.1 HA ARG 23 - HB3 CYS 79 far 0 89 0 - 9.2-21.2 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 2.0-3.4 9910/2.1=84...(15) HB2 GLU 128 - HA ALA 88 far 0 73 0 - 7.9-9.6 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 3 assignments used, quality = 0.93: HG2 GLU 91 + HA ALA 88 OK 93 93 100 100 1.8-3.4 1.8/11912=100...(16) HB3 GLU 128 - HA ALA 88 far 0 96 0 - 7.7-8.6 HB2 GLN 82 - HA ALA 88 far 0 97 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 11821 from cnoeabs.peaks (0.76, 1.43, 18.02 ppm; 3.95 A): 2 out of 5 assignments used, quality = 0.96: HG12 ILE 129 + QB ALA 92 OK 94 99 95 100 1.8-4.7 2.1/10491=87, 10483=60...(21) QD2 LEU 96 + QB ALA 92 OK 32 99 35 94 4.3-5.0 4164/10491=37...(16) QG1 VAL 93 - QB ALA 92 far 0 99 0 - 4.9-5.1 QD1 LEU 96 - QB ALA 92 far 0 92 0 - 5.7-6.5 QD2 LEU 43 - QB ALA 92 far 0 100 0 - 7.5-8.2 Violated in 1 structures by 0.00 A. Peak 11822 from cnoeabs.peaks (0.87, 0.29, 23.10 ppm; 4.58 A): 1 out of 6 assignments used, quality = 0.89: QD2 LEU 70 + QG2 VAL 93 OK 89 89 100 100 3.6-4.1 9485=80, 4.0/11419=56...(24) QD2 LEU 69 - QG2 VAL 93 far 0 100 0 - 5.8-6.2 QD2 LEU 98 - QG2 VAL 93 far 0 100 0 - 7.0-8.2 QD1 LEU 98 - QG2 VAL 93 far 0 97 0 - 8.4-9.3 QG2 VAL 20 - QG2 VAL 93 far 0 87 0 - 9.3-23.6 QG1 VAL 118 - QG2 VAL 93 far 0 68 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 11823 from cnoeabs.peaks (0.86, 2.23, 41.04 ppm; 5.32 A): 1 out of 5 assignments used, quality = 1.00: QD2 LEU 70 + HB3 LEU 96 OK 100 100 100 100 3.6-4.1 11106/3.0=97...(20) QD2 LEU 98 - HB3 LEU 96 far 0 83 0 - 6.1-7.4 QD2 LEU 69 - HB3 LEU 96 far 0 95 0 - 6.9-7.2 QD1 LEU 98 - HB3 LEU 96 far 0 99 0 - 7.8-8.4 QD2 LEU 123 - HB3 LEU 96 far 0 63 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 11824 from cnoeabs.peaks (0.85, 1.38, 41.04 ppm; 4.70 A): 2 out of 8 assignments used, quality = 1.00: QD2 LEU 70 + HB2 LEU 96 OK 100 100 100 100 4.2-4.4 11106/3.0=88...(16) QD2 LEU 70 + HB3 LEU 100 OK 76 86 90 98 4.5-5.4 11107/3.2=86...(14) QD2 LEU 69 - HB2 LEU 96 far 0 90 0 - 6.3-6.7 QD2 LEU 98 - HB3 LEU 100 far 0 59 0 - 6.6-9.0 QD2 LEU 98 - HB2 LEU 96 far 0 76 0 - 6.9-8.1 QD1 LEU 98 - HB3 LEU 100 far 0 82 0 - 7.2-8.2 QD1 LEU 98 - HB2 LEU 96 far 0 98 0 - 8.0-8.9 QD2 LEU 69 - HB3 LEU 100 far 0 73 0 - 8.4-9.2 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 5 assignments used, quality = 0.99: QD1 LEU 70 + HG LEU 96 OK 87 87 100 100 3.7-4.0 2.1/11106=93...(23) QD2 LEU 70 + HG LEU 96 OK 83 83 100 100 1.8-1.9 11114=75, 2.1/11105=58...(20) QD1 LEU 122 + HG LEU 96 OK 39 57 70 96 2.8-5.5 9487/11918=42...(29) QG2 ILE 129 - HG LEU 96 far 0 92 0 - 5.9-6.7 QD1 LEU 98 - HG LEU 96 far 0 68 0 - 7.1-8.2 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 = 0.98: QD1 LEU 100 + HG LEU 96 OK 92 92 100 100 2.7-3.3 11107/11106=81...(29) QD1 ILE 129 + HG LEU 96 OK 73 73 100 99 4.0-4.8 10492/3.0=47...(29) QD1 LEU 42 - HG LEU 96 far 0 89 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 11827 from cnoeabs.peaks (3.20, 1.40, 27.00 ppm; 5.76 A increased from 5.12 A): 1 out of 1 assignment used, quality = 1.00: HB3 CYS 125 + HG LEU 96 OK 100 100 100 100 4.5-5.7 9987/2.1=94, 9989/2.1=92...(24) Violated in 0 structures by 0.00 A. Peak 11828 from cnoeabs.peaks (2.76, 0.79, 26.05 ppm; 4.88 A): 1 out of 6 assignments used, quality = 0.62: HB2 CYS 125 + QD2 LEU 122 OK 62 65 95 99 3.4-5.8 3.9/10366=64, ~9498=46...(19) HB2 CYS 125 - QD1 LEU 53 far 3 56 5 - 5.4-8.0 HB2 CYS 73 - QD2 LEU 122 far 0 92 0 - 8.2-10.4 HB2 ASP 64 - QD2 LEU 122 far 0 96 0 - 8.3-10.9 HB2 ASP 64 - QD1 LEU 53 far 0 86 0 - 8.5-11.0 HB2 ASP 131 - QD1 LEU 53 far 0 89 0 - 9.9-12.4 Violated in 3 structures by 0.10 A. Peak 11829 from cnoeabs.peaks (1.36, 0.95, 21.50 ppm; 4.50 A): 0 out of 1 assignment used, quality = 0.00: QB ALA 110 - QG1 VAL 57 far 0 68 0 - 7.8-9.0 Violated in 20 structures by 3.92 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 3.3-4.3 9550/3.0=59, 2.2/9481=59...(14) HE21 GLN 127 - HG2 GLN 68 far 0 97 0 - 9.5-16.5 Violated in 4 structures by 0.01 A. Peak 11832 from cnoeabs.peaks (1.65, 4.29, 61.54 ppm; 4.85 A): 0 out of 16 assignments used, quality = 0.00: HD3 LYS 26 - HA THR 25 poor 20 100 20 - 5.2-6.8 HD2 LYS 26 - HA THR 25 far 15 100 15 - 4.9-6.7 HD3 LYS 19 - HA SER 74 far 5 96 5 - 4.6-35.1 HG3 ARG 23 - HA THR 25 far 3 60 5 - 5.2-8.9 HD3 LYS 24 - HA THR 25 far 0 100 0 - 5.8-7.0 HD2 LYS 19 - HA SER 74 far 0 96 0 - 6.2-35.4 HD2 LYS 24 - HA THR 25 far 0 99 0 - 6.5-8.0 HD2 LYS 86 - HA SER 74 far 0 97 0 - 7.4-8.8 HD3 LYS 24 - HA SER 74 far 0 97 0 - 7.6-23.3 HB2 LEU 69 - HA SER 74 far 0 89 0 - 8.4-9.2 HD2 LYS 24 - HA SER 74 far 0 96 0 - 8.4-24.9 HD3 LYS 31 - HA THR 25 far 0 100 0 - 8.7-17.7 HD3 LYS 86 - HA SER 74 far 0 97 0 - 8.9-10.1 HD2 LYS 31 - HA THR 25 far 0 99 0 - 9.2-17.6 HG3 ARG 23 - HA SER 74 far 0 56 0 - 9.4-25.0 HD2 LYS 19 - HA THR 25 far 0 99 0 - 9.6-17.8 Violated in 6 structures by 0.03 A. Peak 11844 from cnoeabs.peaks (0.87, 3.17, 43.40 ppm; 4.88 A increased from 4.11 A): 2 out of 18 assignments used, quality = 0.52: QG2 VAL 20 + HD3 ARG 23 OK 31 63 100 49 2.6-5.3 10688/4.9=22, 398/3.0=12...(6) QG2 VAL 20 + HD2 ARG 23 OK 30 63 95 49 1.9-5.5 10688/4.9=22, 398/3.0=12...(6) QD1 LEU 22 - HD3 ARG 23 far 6 56 10 - 3.3-9.3 QD2 LEU 22 - HD3 ARG 23 far 3 58 5 - 4.4-9.1 QD2 LEU 22 - HD2 ARG 23 far 3 58 5 - 4.8-9.5 QD1 LEU 22 - HD2 ARG 23 far 3 56 5 - 4.2-8.2 QG2 ILE 32 - HD3 ARG 23 far 0 85 0 - 5.7-14.8 QG2 VAL 20 - HD2 ARG 90 far 0 73 0 - 6.2-25.5 QG2 ILE 32 - HD2 ARG 23 far 0 85 0 - 6.4-15.1 QD2 LEU 70 - HD3 ARG 90 far 0 97 0 - 6.6-9.3 QG2 VAL 20 - HD3 ARG 90 far 0 73 0 - 6.6-26.3 QD2 LEU 70 - HD2 ARG 90 far 0 96 0 - 7.1-9.6 QD2 LEU 98 - HD3 ARG 90 far 0 98 0 - 8.2-11.2 QD2 LEU 98 - HD2 ARG 90 far 0 98 0 - 9.0-11.6 QD2 LEU 98 - HD3 ARG 23 far 0 89 0 - 9.6-31.8 QD1 LEU 98 - HD3 ARG 90 far 0 100 0 - 9.6-13.1 QD2 LEU 70 - HD3 ARG 23 far 0 87 0 - 9.7-27.6 QD2 LEU 22 - HD2 ARG 90 far 0 68 0 - 9.8-24.0 Violated in 0 structures by 0.00 A. Peak 11845 from cnoeabs.peaks (1.17, 2.02, 28.15 ppm; 3.91 A): 2 out of 7 assignments used, quality = 0.99: QG2 VAL 77 + HG2 ARG 90 OK 96 96 100 100 1.7-2.0 9662=87, 2.1/9652=67...(26) QB ALA 41 + HB3 GLU 40 OK 79 79 100 100 3.8-3.9 10932=75, 3.0/6471=54...(19) QB ALA 41 - HB2 GLU 44 far 0 96 0 - 5.9-6.3 HB3 LEU 62 - HG2 PRO 58 far 0 36 0 - 6.2-8.0 HG3 LYS 39 - HB3 GLU 40 far 0 70 0 - 6.2-7.3 QG2 THR 18 - HG2 ARG 90 far 0 100 0 - 9.1-30.7 HG3 LYS 39 - HB2 GLU 44 far 0 88 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 11846 from cnoeabs.peaks (1.05, 2.02, 28.15 ppm; 5.18 A): 1 out of 4 assignments used, quality = 0.97: QG1 VAL 77 + HG2 ARG 90 OK 97 97 100 100 2.5-3.6 9651/1.8=94, 2.1/9662=93...(24) QG2 VAL 133 - HG2 ARG 90 far 0 98 0 - 7.0-8.0 QG2 VAL 133 - HB3 GLU 40 far 0 75 0 - 8.3-8.7 QG2 VAL 133 - HB2 GLU 44 far 0 92 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 11849 from cnoeabs.peaks (0.76, 2.42, 35.12 ppm; 3.99 A): 1 out of 6 assignments used, quality = 0.99: QG1 VAL 93 + HG3 GLU 97 OK 99 99 100 99 3.0-4.0 9972=62, 9973/1.8=40...(17) QD2 LEU 96 - HG3 GLU 97 poor 20 99 20 - 3.4-5.2 QD1 LEU 96 - HG3 GLU 97 far 0 90 0 - 5.1-5.6 HG12 ILE 129 - HG3 GLU 97 far 0 99 0 - 8.5-10.0 QD2 LEU 103 - HG3 GLU 97 far 0 92 0 - 9.3-10.2 QG1 VAL 63 - HG3 GLU 97 far 0 65 0 - 9.4-10.1 Violated in 3 structures by 0.00 A. Peak 11850 from cnoeabs.peaks (0.74, 2.27, 35.12 ppm; 4.51 A): 2 out of 4 assignments used, quality = 1.00: QD2 LEU 96 + HG2 GLU 97 OK 97 97 100 100 2.2-4.4 3098/3133=55...(26) QG1 VAL 93 + HG2 GLU 97 OK 95 96 100 100 2.4-2.7 9972/1.8=80...(17) HG12 ILE 129 - HG2 GLU 97 far 0 96 0 - 8.1-9.1 QD2 LEU 103 - HG2 GLU 97 far 0 100 0 - 9.6-10.4 Violated in 0 structures by 0.00 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 4.1-5.8 2.1/11363=83...(26) QG1 VAL 93 + HB2 GLU 97 OK 96 96 100 100 3.7-4.9 9972/2.9=80...(15) QD2 LEU 103 - HB2 GLU 97 far 0 100 0 - 8.6-9.7 HG12 ILE 129 - HB2 GLU 97 far 0 96 0 - 8.8-11.5 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 3.9-4.6 11809=86, 3098/2.8=72...(31) QG1 VAL 93 + HA GLU 97 OK 76 96 80 99 4.9-5.2 9972/3.8=56...(14) QD2 LEU 103 - HA GLU 97 far 0 100 0 - 6.7-7.5 HG12 ILE 129 - HA GLU 97 far 0 96 0 - 8.7-10.3 Violated in 0 structures by 0.00 A. Peak 11853 from cnoeabs.peaks (0.91, 3.96, 63.62 ppm; 4.32 A): 3 out of 15 assignments used, quality = 0.83: QG2 VAL 63 + HB3 SER 107 OK 67 100 100 67 2.6-4.5 11484/7557=30...(9) QG1 VAL 118 + HB3 SER 107 OK 35 95 45 83 3.8-6.6 ~10272=27...(13) QG1 VAL 118 + HB2 SER 106 OK 22 68 35 93 4.7-7.2 2.1/10105=85...(13) QG1 VAL 118 - HB3 SER 106 far 0 40 0 - 5.0-7.0 QD1 LEU 119 - HB3 SER 107 far 0 60 0 - 5.3-7.4 QD1 LEU 62 - HB3 SER 107 far 0 100 0 - 6.1-7.4 QG2 VAL 112 - HB3 SER 107 far 0 97 0 - 6.2-8.4 QD1 LEU 119 - HB3 SER 106 far 0 22 0 - 6.3-8.7 QG2 VAL 63 - HB3 SER 106 far 0 46 0 - 6.5-8.7 QG2 VAL 63 - HB2 SER 106 far 0 76 0 - 6.6-7.7 QD1 LEU 119 - HB2 SER 106 far 0 39 0 - 6.6-7.8 QG2 VAL 112 - HB2 SER 106 far 0 70 0 - 7.6-9.9 QG2 VAL 112 - HB3 SER 106 far 0 41 0 - 7.7-10.2 QD1 LEU 62 - HB3 SER 106 far 0 46 0 - 8.2-11.0 QD1 LEU 62 - HB2 SER 106 far 0 76 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 11854 from cnoeabs.peaks (0.91, 3.98, 63.90 ppm; 4.41 A): 2 out of 12 assignments used, quality = 0.47: QG2 VAL 63 + HB3 SER 107 OK 30 46 100 65 2.6-4.5 11484/4.7=28...(8) QG1 VAL 118 + HB2 SER 106 OK 24 82 40 73 4.7-7.2 2.1/10105=37...(13) QG1 VAL 118 - HB3 SER 107 poor 16 42 50 77 3.8-6.6 ~10272=28, ~10272=16...(13) QG1 VAL 118 - HB3 SER 106 far 0 97 0 - 5.0-7.0 QD1 LEU 62 - HB3 SER 107 far 0 45 0 - 6.1-7.4 QG2 VAL 112 - HB3 SER 107 far 0 39 0 - 6.2-8.4 QG2 VAL 63 - HB3 SER 106 far 0 100 0 - 6.5-8.7 QG2 VAL 63 - HB2 SER 106 far 0 87 0 - 6.6-7.7 QG2 VAL 112 - HB2 SER 106 far 0 76 0 - 7.6-9.9 QG2 VAL 112 - HB3 SER 106 far 0 93 0 - 7.7-10.2 QD1 LEU 62 - HB3 SER 106 far 0 100 0 - 8.2-11.0 QD1 LEU 62 - HB2 SER 106 far 0 86 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 11861 from cnoeabs.peaks (7.25, 3.20, 43.15 ppm; 3.54 A): 2 out of 8 assignments used, quality = 1.00: HE ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-2.9 2.9=100 HE ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.3-2.9 2.9=100 HD21 ASN 85 - HD2 ARG 84 far 5 100 5 - 3.1-9.9 H ASN 85 - HD3 ARG 84 far 4 83 5 - 2.9-6.3 H ASN 85 - HD2 ARG 84 far 4 83 5 - 3.4-6.6 QE PHE 87 - HD2 ARG 84 far 4 78 5 - 3.0-10.8 QE PHE 87 - HD3 ARG 84 far 4 78 5 - 3.4-10.1 HD21 ASN 85 - HD3 ARG 84 far 0 100 0 - 4.4-8.7 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 + HG3 ARG 84 OK 99 99 100 100 2.1-3.6 3.6=100 HE ARG 84 + HG2 ARG 84 OK 99 99 100 100 2.1-4.0 3.6=100 H ASN 85 + HG3 ARG 84 OK 67 73 100 92 3.8-5.1 3.7/7094=38, 3.6/2561=32...(17) H ASN 85 + HG2 ARG 84 OK 67 73 100 91 2.0-4.7 3.7/7094=38, 3.6/2561=32...(15) HD21 ASN 85 + HG3 ARG 84 OK 39 100 50 79 4.3-8.0 9799/3.0=28, ~9807=20...(14) HD21 ASN 85 + HG2 ARG 84 OK 39 100 50 79 4.2-8.7 9799/3.0=28, ~9807=20...(14) QE PHE 87 - HG2 ARG 84 poor 17 68 25 - 3.7-9.6 QE PHE 87 - HG3 ARG 84 poor 17 68 25 - 4.5-10.3 HD2 HIS 10 - HG LEU 22 far 0 42 0 - 6.6-35.4 HD2 HIS 10 - HG3 ARG 23 far 0 60 0 - 7.6-34.5 HD21 ASN 85 - HG LEU 43 far 0 86 0 - 8.8-12.7 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 2.0-4.8 5.1=88, 11859/3.0=62...(19) H ASN 85 + HB3 ARG 84 OK 73 73 100 100 3.7-4.2 4.7=100 HD21 ASN 85 + HB3 ARG 84 OK 30 100 35 84 4.0-7.0 9799/1.8=31...(12) QE PHE 87 - HB3 ARG 84 poor 17 68 25 - 2.4-8.6 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 4 assignments used, quality = 1.00: * HE ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.3-2.9 2.9=100 HE ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.3-2.9 2.9=100 HE ARG 23 - HD3 ARG 90 far 0 93 0 - 8.8-30.3 HE ARG 23 - HD2 ARG 90 far 0 92 0 - 9.5-29.2 Violated in 0 structures by 0.00 A. Peak 11885 from cnoeabs.peaks (7.27, 3.23, 44.19 ppm; 4.88 A): 1 out of 4 assignments used, quality = 0.84: HD21 ASN 85 + HD3 ARG 135 OK 84 87 100 96 3.5-5.0 1.7/9816=60, 9800/3.0=48...(7) HE ARG 84 - HD3 ARG 135 far 10 96 10 - 3.4-11.8 H ASN 85 - HD3 ARG 135 far 0 100 0 - 5.5-7.5 QE PHE 87 - HD3 ARG 135 far 0 99 0 - 6.6-13.2 Violated in 4 structures by 0.01 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 HB3 PRO 113 - HG3 PRO 56 far 0 54 0 - 7.3-9.7 HB VAL 132 - HG2 PRO 81 far 0 71 0 - 7.4-9.9 HB3 PRO 113 - HG2 PRO 56 far 0 54 0 - 8.0-10.6 HG2 GLN 61 - HG2 PRO 56 far 0 41 0 - 8.1-10.5 HG2 GLN 61 - HG3 PRO 56 far 0 41 0 - 9.7-12.1 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 HB3 LEU 96 - HB2 LYS 95 far 0 57 0 - 4.3-4.7 HB3 LEU 96 - HB3 LYS 95 far 0 62 0 - 4.8-6.0 HG2 GLU 97 - HB2 LYS 95 far 0 62 0 - 6.3-6.9 HG2 GLU 91 - HB2 LYS 95 far 0 40 0 - 6.8-8.4 HG2 GLU 97 - HB3 LYS 95 far 0 68 0 - 6.9-7.4 HB3 GLU 128 - HB2 LYS 95 far 0 36 0 - 7.7-8.6 HB VAL 132 - HB3 LYS 86 far 0 58 0 - 7.8-8.4 HG2 GLU 91 - HB3 LYS 95 far 0 44 0 - 8.4-9.5 HB3 GLU 128 - HB3 LYS 95 far 0 40 0 - 8.5-9.8 HG2 GLU 91 - HB3 LYS 86 far 0 51 0 - 8.6-10.3 HB2 PRO 81 - HB3 LYS 86 far 0 90 0 - 8.9-10.5 HB3 GLU 102 - HB3 LYS 95 far 0 48 0 - 9.3-11.9 HB3 GLN 127 - HB2 LYS 95 far 0 38 0 - 9.5-11.5 HB VAL 132 - HB3 PRO 81 far 0 71 0 - 9.7-10.8 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 - 8.9-10.5 HB ILE 37 - HB2 PRO 81 far 0 92 0 - 10.0-11.4 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 4 assignments used, quality = 0.97: HG2 PRO 81 + HB2 PRO 81 OK 97 97 100 100 2.3-3.0 2.3=100 HB VAL 20 - HB2 PRO 81 far 0 99 0 - 7.7-34.0 HG3 ARG 135 - HB2 PRO 81 far 0 73 0 - 8.6-10.2 HB2 GLN 134 - HB2 PRO 81 far 0 96 0 - 9.6-12.1 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): 1 out of 15 assignments used, quality = 1.00: HG2 PRO 81 + HB3 PRO 81 OK 100 100 100 100 2.3-2.7 2.3=100 HG2 ARG 90 - HB3 LYS 86 far 0 51 0 - 5.1-7.3 HB2 GLU 91 - HB2 LYS 95 far 0 76 0 - 6.4-8.7 HG2 PRO 81 - HB3 LYS 86 far 0 89 0 - 7.0-10.7 HB VAL 20 - HB3 LYS 86 far 0 87 0 - 7.2-34.2 HB3 MET 11 - HB2 LYS 95 far 0 40 0 - 7.4-42.8 HB2 GLU 91 - HB3 LYS 95 far 0 81 0 - 7.9-9.8 HB3 MET 11 - HB3 LYS 95 far 0 44 0 - 7.9-43.5 HB VAL 20 - HB3 PRO 81 far 0 99 0 - 8.0-35.4 HB2 GLU 91 - HB3 LYS 86 far 0 90 0 - 8.3-10.1 HB ILE 129 - HB2 LYS 95 far 0 72 0 - 8.5-10.1 HB ILE 129 - HB3 LYS 95 far 0 78 0 - 9.3-11.6 HB2 GLN 134 - HB3 PRO 81 far 0 68 0 - 9.6-11.3 HG2 ARG 90 - HB2 LYS 95 far 0 40 0 - 10.0-11.4 HB3 PRO 117 - HB3 LYS 95 far 0 71 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 11894 from cnoeabs.peaks (0.83, 1.95, 32.59 ppm; 5.41 A): 2 out of 16 assignments used, quality = 0.99: QG2 ILE 80 + HB3 PRO 81 OK 94 94 100 100 4.1-4.8 11281/1.8=85...(32) QG2 ILE 80 + HB3 LYS 86 OK 81 81 100 100 2.6-3.7 11240=91, 3.1/9721=82...(38) QD1 LEU 122 - HB3 LYS 95 far 9 60 15 - 4.9-8.4 QD1 LEU 122 - HB2 LYS 95 far 6 56 10 - 5.4-8.9 HG13 ILE 80 - HB3 LYS 86 far 4 89 5 - 5.9-7.1 QG1 VAL 133 - HB3 PRO 81 far 0 97 0 - 6.2-7.1 HG13 ILE 80 - HB3 PRO 81 far 0 100 0 - 6.3-7.4 QG2 ILE 129 - HB2 LYS 95 far 0 74 0 - 7.0-7.7 QD1 LEU 70 - HB2 LYS 95 far 0 72 0 - 7.5-8.0 QD2 LEU 22 - HB3 LYS 86 far 0 78 0 - 7.8-24.6 QD1 LEU 70 - HB3 LYS 95 far 0 78 0 - 8.0-8.6 QG2 ILE 129 - HB3 LYS 95 far 0 80 0 - 8.0-9.1 QG2 ILE 129 - HB3 LYS 86 far 0 89 0 - 8.4-9.1 QD2 LEU 49 - HB2 LYS 95 far 0 36 0 - 8.4-9.6 QD2 LEU 49 - HB3 LYS 95 far 0 40 0 - 8.6-9.8 QG1 VAL 133 - HB3 LYS 86 far 0 85 0 - 8.6-10.1 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 3 assignments used, quality = 1.00: QG2 ILE 80 + HB2 PRO 81 OK 98 98 100 100 4.5-5.1 11909/2.3=91...(28) QG1 VAL 133 + HB2 PRO 81 OK 66 93 75 94 5.6-6.8 ~11757=67, 10574/2.3=48...(6) HG13 ILE 80 + HB2 PRO 81 OK 35 100 35 100 5.9-7.0 ~11248=60, ~11909=58...(26) 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 1 assignment used, quality = 0.93: HD2 PRO 81 + HB2 PRO 81 OK 93 93 100 100 3.9-3.9 3.0=100 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 7 assignments used, quality = 0.99: HD2 PRO 81 + HB3 PRO 81 OK 99 99 100 100 4.0-4.0 3.0=100 HA LYS 86 + HB3 LYS 86 OK 48 48 100 100 2.7-3.0 3.0=100 HD2 PRO 81 - HB3 LYS 86 far 0 87 0 - 6.1-8.3 HA LYS 86 - HB3 PRO 81 far 0 60 0 - 8.5-10.1 HA LEU 123 - HB3 LYS 95 far 0 75 0 - 9.4-11.0 HA LEU 123 - HB2 LYS 95 far 0 69 0 - 9.5-10.7 HA LEU 70 - HB2 LYS 95 far 0 50 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 11898 from cnoeabs.peaks (4.04, 1.95, 32.59 ppm; 4.60 A): 7 out of 13 assignments used, quality = 1.00: HD3 PRO 81 + HB3 PRO 81 OK 100 100 100 100 3.9-3.9 3.0=100 HA LEU 96 + HB3 LYS 95 OK 74 79 100 94 4.0-5.0 2.9/7317=34, ~7316=24...(28) HA ALA 92 + HB3 LYS 95 OK 73 73 100 100 4.3-4.8 ~9948=58, ~9948=57...(15) HA LEU 96 + HB2 LYS 95 OK 69 74 100 93 3.9-4.9 2.9/7317=34, ~7317=24...(26) HA ALA 92 + HB2 LYS 95 OK 68 68 100 99 2.8-3.6 2.1/9948=70, 2894/4.0=50...(14) HA LYS 95 + HB3 LYS 95 OK 68 68 100 100 2.3-2.8 3.0=100 HA LYS 95 + HB2 LYS 95 OK 62 62 100 100 2.9-3.0 3.0=100 HA LEU 122 - HB3 LYS 95 far 4 71 5 - 5.1-7.0 HA LEU 122 - HB2 LYS 95 far 0 65 0 - 5.8-7.2 HD3 PRO 81 - HB3 LYS 86 far 0 90 0 - 7.6-9.3 HB3 SER 124 - HB3 LYS 95 far 0 79 0 - 7.7-8.8 HA ARG 135 - HB3 PRO 81 far 0 87 0 - 7.8-10.9 HB3 SER 124 - HB2 LYS 95 far 0 74 0 - 8.0-9.4 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 2 assignments used, quality = 1.00: HD3 PRO 81 + HB2 PRO 81 OK 100 100 100 100 3.0-3.0 3.0=100 HA ARG 135 - HB2 PRO 81 far 0 87 0 - 8.8-12.2 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 - 9.7-10.5 Violated in 20 structures by 4.47 A. Peak 11901 from cnoeabs.peaks (4.33, 2.25, 32.59 ppm; 3.23 A): 1 out of 3 assignments used, quality = 1.00: HA PRO 81 + HB2 PRO 81 OK 100 100 100 100 2.3-2.3 2.3=100 HA GLN 134 - HB2 PRO 81 far 0 85 0 - 7.4-9.4 HA TYR 76 - HB2 PRO 81 far 0 78 0 - 9.2-10.0 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 6 assignments used, quality = 1.00: HA PRO 81 + HB3 PRO 81 OK 100 100 100 100 2.7-2.7 2.3=100 HA CYS 125 - HB2 LYS 95 far 0 54 0 - 4.1-5.2 HA CYS 125 - HB3 LYS 95 far 0 58 0 - 4.7-6.5 HA PRO 81 - HB3 LYS 86 far 0 89 0 - 7.4-9.1 HA GLN 134 - HB3 PRO 81 far 0 85 0 - 7.5-8.7 HA TYR 76 - HB3 LYS 86 far 0 65 0 - 9.7-10.8 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 3.3-4.7 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; 4.54 A increased from 4.27 A): 2 out of 4 assignments used, quality = 1.00: H GLN 82 + HB3 PRO 81 OK 100 100 100 100 1.9-4.3 4.1=100 H GLN 82 + HB3 LYS 86 OK 21 90 30 77 5.0-7.2 9742/11240=65...(3) H ASP 78 - HB3 LYS 86 far 0 55 0 - 7.2-8.1 H VAL 77 - HB3 LYS 86 far 0 81 0 - 7.8-8.7 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 3 assignments used, quality = 0.92: * HB3 PRO 81 + HA PRO 81 OK 92 92 100 100 2.7-2.7 2.3=100 HB3 LYS 86 - HA PRO 81 far 0 71 0 - 7.4-9.1 HB2 ARG 135 - HA PRO 81 far 0 63 0 - 7.9-11.5 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): 1 out of 4 assignments used, quality = 0.96: QG2 ILE 80 + HA PRO 81 OK 96 96 100 100 3.7-3.9 11280=93, 11261/3.6=76...(14) HG13 ILE 80 - HA PRO 81 far 0 100 0 - 5.8-6.6 QG1 VAL 133 - HA PRO 81 far 0 97 0 - 6.7-7.9 QD2 LEU 22 - HA PRO 81 far 0 90 0 - 8.9-23.7 Violated in 0 structures by 0.00 A. Peak 11910 from cnoeabs.peaks (2.00, 4.33, 64.74 ppm; 4.18 A increased from 3.94 A): 1 out of 2 assignments used, quality = 1.00: HG2 PRO 81 + HA PRO 81 OK 100 100 100 100 3.9-4.0 3.8=100 HB VAL 20 - HA PRO 81 far 0 100 0 - 6.3-32.9 Violated in 0 structures by 0.00 A. Peak 11911 from cnoeabs.peaks (2.05, 4.33, 64.74 ppm; 4.31 A): 1 out of 2 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 - 9.5-10.7 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 3.6-3.6 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 1 assignment used, quality = 1.00: H GLN 82 + HA PRO 81 OK 100 100 100 100 2.8-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 11914 from cnoeabs.peaks (7.54, 2.00, 27.30 ppm; 5.47 A increased from 4.38 A): 1 out of 5 assignments used, quality = 0.97: H GLN 82 + HG2 PRO 81 OK 97 97 100 100 1.8-5.4 11886=95, 11190/2.3=83...(7) HE22 GLN 61 - HG2 PRO 56 far 0 60 0 - 7.9-10.8 H THR 54 - HG2 PRO 56 far 0 70 0 - 8.5-9.0 H THR 54 - HG3 PRO 56 far 0 70 0 - 9.0-9.5 HE22 GLN 61 - HG3 PRO 56 far 0 60 0 - 9.3-12.5 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 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 11916 from cnoeabs.peaks (1.78, 1.01, 22.19 ppm; 4.81 A increased from 4.28 A): 1 out of 4 assignments used, quality = 0.97: HB3 LEU 103 + QG2 VAL 118 OK 97 97 100 100 4.4-4.9 1.8/10263=98...(29) HB3 LEU 122 - QG2 VAL 118 far 0 96 0 - 6.0-7.1 HB3 LEU 98 - QG2 VAL 118 far 0 100 0 - 6.3-7.8 HG LEU 100 - QG2 VAL 118 far 0 100 0 - 6.6-7.2 Violated in 3 structures by 0.01 A. Peak 11922 from cnoeabs.peaks (3.95, 0.78, 24.12 ppm; 6.80 A): 8 out of 17 assignments used, quality = 1.00: HB3 SER 107 + QD1 LEU 103 OK 97 97 100 100 1.8-3.8 7557/11486=83, 10106=73...(21) HA LEU 100 + QD1 LEU 103 OK 96 97 100 100 4.5-5.1 7463/4.8=84, 3370/3.2=55...(18) HB2 SER 106 + QD1 LEU 103 OK 90 90 100 100 4.0-5.6 4.0/11469=85...(16) HD3 PRO 117 + QD1 LEU 103 OK 89 100 100 89 5.2-6.0 7638/10256=41...(9) HB2 SER 107 + QD1 LEU 103 OK 63 63 100 100 1.9-3.8 4.7/11486=78...(16) HB3 SER 106 + QD1 LEU 103 OK 63 63 100 100 4.1-6.2 4.0/11469=85, ~11536=71...(13) HA LEU 100 + QD1 LEU 96 OK 62 63 100 98 4.6-5.5 4.0/11388=36, ~3090=36...(17) HA THR 65 + QD1 LEU 96 OK 37 50 100 75 6.6-7.0 4.9/11808=29...(7) HA GLN 127 - QD1 LEU 96 poor 18 52 35 - 7.3-7.7 HA2 GLY 111 - QD1 LEU 103 lone 5 85 50 12 5.5-8.7 10117/11541=9 HA3 GLY 111 - QD1 LEU 103 far 5 100 5 - 7.0-9.8 HB3 SER 94 - QD1 LEU 96 far 0 47 0 - 8.2-8.6 HD3 PRO 113 - QD1 LEU 103 far 0 95 0 - 9.1-10.6 HB3 SER 107 - QD1 LEU 96 far 0 64 0 - 9.5-11.4 HA THR 65 - QD1 LEU 103 far 0 83 0 - 9.6-10.4 HB2 SER 107 - QD1 LEU 96 far 0 36 0 - 9.7-12.0 HA GLU 91 - QD1 LEU 96 far 0 33 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 11923 from cnoeabs.peaks (3.95, 0.74, 25.24 ppm; 6.80 A): 4 out of 8 assignments used, quality = 1.00: HB3 SER 107 + QD2 LEU 103 OK 92 93 100 99 3.6-5.3 10106/2.1=68...(17) HA LEU 100 + QD2 LEU 103 OK 92 92 100 100 2.8-3.4 7463/7477=85...(19) HB2 SER 107 + QD2 LEU 103 OK 73 73 100 100 3.8-5.5 ~10106=75, ~10106=62...(17) HB2 SER 106 + QD2 LEU 103 OK 58 83 80 87 6.3-8.0 ~10096=41, 10106/2.1=32...(12) HA2 GLY 111 - QD2 LEU 103 far 14 92 15 - 6.6-9.1 HA THR 65 - QD2 LEU 103 far 11 73 15 - 7.3-7.9 HD3 PRO 117 - QD2 LEU 103 far 5 99 5 - 7.3-8.0 HA3 GLY 111 - QD2 LEU 103 far 0 100 0 - 8.0-10.4 Violated in 0 structures by 0.00 A. Peak 11925 from cnoeabs.peaks (2.05, 0.81, 25.23 ppm; 6.80 A): 2 out of 11 assignments used, quality = 0.99: HB VAL 118 + QD1 LEU 122 OK 98 99 100 100 5.2-6.7 11594/11092=61...(20) HB2 LEU 62 + QD1 LEU 122 OK 51 99 100 52 3.8-6.9 3.0/10994=14, ~11926=9...(10) HB VAL 63 - QD1 LEU 122 poor 11 65 80 22 5.5-8.4 3.0/2016=11, 4.0/3892=9 QE MET 11 - QD1 LEU 70 far 3 58 5 - 5.3-26.0 HG2 ARG 90 - QD1 LEU 70 far 2 35 5 - 7.0-9.1 HB2 GLN 127 - QD1 LEU 122 far 0 99 0 - 7.6-10.1 HG2 PRO 117 - QD1 LEU 122 far 0 100 0 - 7.8-9.9 HB3 MET 11 - QD1 LEU 70 far 0 35 0 - 8.0-29.4 HG2 PRO 58 - QD1 LEU 122 far 0 78 0 - 9.1-12.7 HG3 PRO 117 - QD1 LEU 122 far 0 100 0 - 9.2-11.3 QE MET 11 - QD1 LEU 122 far 0 99 0 - 9.5-31.0 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 5 assignments used, quality = 1.00: QD2 LEU 100 + HG LEU 122 OK 100 100 100 100 2.0-4.8 ~9487=99, ~9487=72...(30) QD2 LEU 100 + HG LEU 70 OK 97 97 100 100 4.8-5.6 ~11107=99, ~11115=98...(12) QD2 LEU 62 + HG LEU 119 OK 69 69 100 100 5.5-6.1 ~10992=78, ~10951=64...(15) QD2 LEU 62 + HG LEU 122 OK 50 100 100 50 5.3-6.7 ~11951=21, ~11925=18...(5) QD2 LEU 100 - HG LEU 119 lone 1 69 45 3 6.6-7.9 Violated in 0 structures by 0.00 A. Peak 11927 from cnoeabs.peaks (3.46, 1.13, 22.77 ppm; 6.80 A): 4 out of 7 assignments used, quality = 1.00: HA ILE 129 + QG1 VAL 132 OK 100 100 100 100 4.2-4.9 4213/2.1=100...(26) HA VAL 77 + QG1 VAL 132 OK 96 97 100 100 5.6-6.4 9643/11656=93...(10) HA ILE 129 + QG2 VAL 132 OK 53 53 100 100 1.8-2.7 4213/2.1=100...(32) HA VAL 126 + QG2 VAL 132 OK 28 31 100 89 6.5-7.0 10402/10490=54...(7) HA VAL 77 - QG2 VAL 132 poor 12 48 25 - 7.0-7.6 HA VAL 126 - QG1 VAL 132 far 0 71 0 - 8.8-9.3 HA LEU 42 - QG2 VAL 132 far 0 42 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 11928 from cnoeabs.peaks (3.45, 1.14, 23.15 ppm; 6.80 A): 4 out of 7 assignments used, quality = 1.00: HA ILE 129 + QG2 VAL 132 OK 97 97 100 100 1.8-2.7 9952/9947=99...(30) HA VAL 126 + QG2 VAL 132 OK 84 87 100 96 6.5-7.0 10402/10490=74...(7) HA VAL 77 + QG1 VAL 132 OK 52 53 100 99 5.6-6.4 9643/11738=93...(10) HA ILE 129 + QG1 VAL 132 OK 49 49 100 100 4.2-4.9 4213/2.1=97...(26) HA VAL 77 - QG2 VAL 132 poor 19 100 25 78 7.0-7.6 9666/11378=31...(7) HA VAL 126 - QG1 VAL 132 far 0 41 0 - 8.8-9.3 HA LEU 42 - QG2 VAL 132 far 0 73 0 - 10.0-10.8 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 = 0.67: HD22 ASN 85 + HA VAL 133 OK 67 92 100 73 3.2-6.9 9809/10538=34...(8) H CYS 79 - HA VAL 133 far 0 73 0 - 8.5-9.2 H TYR 76 - HA VAL 133 far 0 73 0 - 9.2-10.2 Violated in 1 structures by 0.01 A. Peak 11930 from cnoeabs.peaks (8.05, 2.19, 31.57 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.95: H SER 130 + HB VAL 133 OK 95 95 100 100 4.6-5.9 2.9/4174=97...(16) H TYR 76 - HB VAL 133 far 0 100 0 - 8.9-10.1 H CYS 79 - HB VAL 133 far 0 100 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 11931 from cnoeabs.peaks (1.15, 0.27, 13.24 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: QG2 VAL 132 + QD1 ILE 80 OK 99 99 100 100 4.4-4.9 2.1/9722=100...(30) QG1 VAL 132 + QD1 ILE 80 OK 90 90 100 100 2.7-3.4 2.1/9722=100, 11738=100...(28) HG3 LYS 39 + QD1 ILE 80 OK 68 97 80 88 6.4-7.5 11680/10586=38...(9) HG2 LYS 39 + QD1 ILE 80 OK 35 96 40 91 6.3-8.8 10850/9746=62...(9) QB ALA 41 - QD1 ILE 80 far 0 73 0 - 8.5-9.0 QG2 THR 18 - QD1 ILE 80 far 0 71 0 - 9.8-26.4 Violated in 0 structures by 0.00 A. Peak 11932 from cnoeabs.peaks (1.15, 0.81, 17.22 ppm; 6.80 A): 5 out of 11 assignments used, quality = 1.00: QG2 VAL 132 + QG2 ILE 80 OK 99 99 100 100 5.9-6.6 ~11738=91, ~11656=91...(26) QG1 VAL 132 + QG2 ILE 80 OK 90 90 100 100 3.8-4.6 11738/3.1=100...(28) QG2 VAL 132 + QG2 ILE 129 OK 66 66 100 100 3.1-3.9 11737/3.0=95...(29) QG1 VAL 132 + QG2 ILE 129 OK 57 57 100 100 4.4-5.0 ~10477=86, 2.1/11747=80...(25) HG2 LYS 39 + QG2 ILE 80 OK 22 96 35 65 6.5-9.7 10850/9739=28, ~11956=14...(8) HG3 LYS 39 - QG2 ILE 129 poor 16 64 25 - 7.2-8.0 HG3 LYS 39 - QG2 ILE 80 far 5 97 5 - 6.9-8.7 HG2 LYS 39 - QG2 ILE 129 far 0 62 0 - 7.6-9.3 QB ALA 41 - QG2 ILE 129 far 0 44 0 - 8.0-8.8 QG2 THR 18 - QG2 ILE 80 far 0 71 0 - 8.3-26.1 QB ALA 41 - QG2 ILE 80 far 0 73 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 11933 from cnoeabs.peaks (1.16, 1.74, 38.49 ppm; 6.80 A): 1 out of 5 assignments used, quality = 0.85: QG2 VAL 77 + HB ILE 80 OK 85 85 100 100 3.0-3.4 3.2/9645=92...(42) QG2 VAL 132 - HB ILE 80 far 0 73 0 - 7.6-8.1 HG2 LYS 39 - HB ILE 80 far 0 63 0 - 8.2-11.5 HG3 LYS 39 - HB ILE 80 far 0 99 0 - 8.4-10.2 QG2 THR 18 - HB ILE 80 far 0 98 0 - 9.6-30.0 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 9 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 61 98 100 62 3.9-6.0 3.9/6030=48, ~72=10...(6) HB2 HIS 8 + HA HIS 7 OK 49 49 100 99 3.9-6.0 4.0/6036=99...(6) HB2 HIS 7 - HA HIS 4 far 15 99 15 - 4.3-12.9 HB2 HIS 8 - HA HIS 6 lone 5 58 50 17 5.6-8.7 6031/3.6=14, ~87=1 HB2 HIS 4 - HA HIS 7 far 5 91 5 - 6.7-12.3 HB2 HIS 4 - HA HIS 6 lone 3 99 40 8 5.7-8.4 1.8/38=5 HB2 HIS 8 - HA HIS 4 far 0 60 0 - 9.3-15.3 Violated in 0 structures by 0.00 A. Peak 11936 from cnoeabs.peaks (3.23, 4.64, 55.07 ppm; 6.80 A): 2 out of 15 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 4.2-6.5 4.0/6036=99, ~87=23...(8) HB3 HIS 8 - HA HIS 6 poor 17 83 20 - 5.8-9.5 HB2 HIS 5 - HA HIS 4 lone 10 100 100 9 4.0-6.2 ~52=3, ~52=3 HB3 HIS 4 - HA HIS 7 far 9 90 10 - 5.5-12.4 HB3 HIS 4 - HA HIS 6 lone 8 99 85 9 5.2-8.3 38=6 HD3 ARG 135 - HA HIS 7 far 4 90 5 - 7.3-62.1 HB3 CYS 125 - HA HIS 6 far 4 72 5 - 7.1-53.6 HB2 HIS 5 - HA HIS 6 lone 3 99 100 3 4.0-6.1 HB2 HIS 5 - HA HIS 7 lone 1 90 55 3 5.5-8.8 HB3 HIS 8 - HA HIS 4 far 0 85 0 - 7.8-15.7 HD3 ARG 135 - HA HIS 6 far 0 99 0 - 8.7-65.8 HB3 HIS 10 - HA HIS 7 far 0 56 0 - 9.1-12.8 HD3 ARG 135 - HA HIS 4 far 0 100 0 - 9.5-72.4 HB3 CYS 125 - HA HIS 4 far 0 73 0 - 9.7-60.5 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 1 assignment used, quality = 1.00: HG3 MET 11 + QE MET 11 OK 100 100 100 100 2.0-3.2 3.3=100 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 5 assignments used, quality = 1.00: HA MET 11 + QE MET 11 OK 100 100 100 100 3.3-4.7 5.1=100 HA SER 9 - QE MET 11 poor 20 65 30 - 4.9-9.5 HA HIS 5 - QE MET 11 far 0 97 0 - 8.4-19.2 HA ASP 71 - QE MET 11 far 0 100 0 - 8.6-31.7 HA ASN 120 - QE MET 11 far 0 100 0 - 9.8-43.7 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 7 assignments used, quality = 0.78: HB3 LYS 19 + QG2 VAL 20 OK 78 78 100 100 4.6-5.4 ~10714=95, 4.6/354=93...(19) HB3 LYS 24 - QG2 VAL 20 poor 15 73 20 - 5.4-9.8 HB3 LYS 31 - QG2 VAL 20 far 8 78 10 - 5.1-20.6 HB3 LYS 26 - QG2 VAL 20 far 6 60 10 - 6.7-13.3 HB2 LYS 86 - QG2 VAL 20 far 5 100 5 - 5.7-26.9 HB ILE 32 - QG2 VAL 20 far 0 63 0 - 7.8-17.1 HB2 LYS 36 - QG2 VAL 20 far 0 65 0 - 8.0-19.7 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 1 assignment used, quality = 1.00: HA VAL 20 + HB3 ARG 23 OK 100 100 100 100 2.5-6.7 11783/434=91...(14) Violated in 0 structures by 0.00 A. Peak 11944 from cnoeabs.peaks (0.86, 1.67, 28.90 ppm; 6.80 A): 6 out of 20 assignments used, quality = 1.00: QG2 ILE 32 + HD2 LYS 36 OK 99 99 100 100 4.5-5.2 10810/3.5=93...(12) QG2 ILE 32 + HD3 LYS 36 OK 99 99 100 100 5.8-6.5 10810/3.5=93...(13) QG2 ILE 32 + HD2 LYS 26 OK 89 89 100 100 2.1-4.3 ~10767=81, 10766/3.0=79...(88) QG2 ILE 32 + HD3 LYS 26 OK 84 84 100 100 2.4-5.2 907/10767=83...(95) QD2 LEU 22 + HD2 LYS 24 OK 67 73 95 96 2.5-9.7 ~10703=45, ~10714=39...(13) QD2 LEU 22 + HD3 LYS 24 OK 65 71 95 96 3.8-9.1 ~10703=45, ~10714=39...(13) QG2 ILE 32 - HD2 LYS 31 poor 9 92 30 34 5.9-8.5 4.0/6347=16, ~10831=15, ~1154=5 QG2 ILE 32 - HD3 LYS 31 poor 8 89 25 34 6.0-8.7 4.0/6347=16, ~10831=15, ~1154=5 QD2 LEU 22 - HD3 LYS 31 far 4 71 5 - 7.3-20.6 QD2 LEU 22 - HD2 LYS 26 far 4 71 5 - 7.3-14.9 QD2 LEU 22 - HD3 LYS 26 far 3 66 5 - 6.0-14.9 QD2 LEU 22 - HD2 LYS 31 far 0 73 0 - 7.4-21.1 QD2 LEU 98 - HD2 LYS 24 far 0 82 0 - 8.0-30.5 QD2 LEU 70 - HD2 LYS 24 far 0 93 0 - 8.8-25.3 QD2 LEU 98 - HD3 LYS 24 far 0 80 0 - 9.2-29.6 QD2 LEU 70 - HD3 LYS 24 far 0 91 0 - 9.2-24.2 QG2 ILE 32 - HD3 LYS 24 far 0 89 0 - 9.2-13.7 QG2 ILE 32 - HD2 LYS 24 far 0 92 0 - 9.3-14.8 QD2 LEU 69 - HD3 LYS 36 far 0 99 0 - 9.4-11.0 QD1 LEU 98 - HD2 LYS 24 far 0 94 0 - 9.6-30.7 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 - 7.0-12.4 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 7 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 2.5-3.0 3.0=100 HB3 HIS 7 - HA HIS 6 poor 14 58 25 - 4.2-5.9 HB2 HIS 8 - HA HIS 6 far 0 75 0 - 5.6-8.7 HB2 HIS 6 - HA HIS 3 far 0 100 0 - 6.5-12.8 HB3 HIS 3 - HA HIS 6 far 0 80 0 - 8.2-12.0 HB3 HIS 7 - HA HIS 3 far 0 81 0 - 9.4-16.8 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 4 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 far 4 80 5 - 7.2-9.0 H GLU 97 - HA HIS 6 far 0 67 0 - 9.4-49.5 H LEU 100 - HA HIS 6 far 0 50 0 - 9.5-50.0 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 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 HIS 4 - HB2 HIS 3 far 0 100 0 - 4.2-5.8 HA HIS 6 - HB2 HIS 3 far 0 93 0 - 7.0-12.4 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 3 assignments used, quality = 1.00: * HB3 HIS 3 + HB2 HIS 3 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 6 - HB2 HIS 3 far 0 100 0 - 5.8-13.6 HB3 HIS 7 - HB2 HIS 3 far 0 81 0 - 9.7-16.9 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 2.0-4.6 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 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 56 56 100 100 2.5-3.0 3.0=100 HA HIS 7 - HB2 HIS 6 far 2 37 5 - 4.1-6.0 HA HIS 4 - HB3 HIS 3 lone 1 100 40 1 4.1-5.8 HA HIS 4 - HB2 HIS 6 far 0 64 0 - 4.5-9.3 HA HIS 3 - HB2 HIS 6 far 0 65 0 - 6.5-12.8 HA HIS 7 - HB2 HIS 10 far 0 55 0 - 8.1-12.9 HA HIS 6 - HB3 HIS 3 far 0 93 0 - 8.2-12.0 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 - 5.8-13.6 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 2.0-4.2 4.7=100 H HIS 4 - HB2 HIS 6 far 0 65 0 - 6.2-10.3 H HIS 4 - HB2 HIS 10 far 0 90 0 - 9.1-22.7 H LEU 100 - HB2 HIS 6 far 0 39 0 - 9.9-52.4 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 3 - HB2 HIS 4 poor 20 100 20 - 4.0-6.5 HA HIS 7 - HB3 HIS 6 far 0 58 0 - 4.1-6.0 HA HIS 4 - HB3 HIS 6 far 0 80 0 - 4.7-9.4 HA HIS 6 - HB2 HIS 4 far 0 98 0 - 5.7-8.4 HA HIS 3 - HB3 HIS 6 far 0 79 0 - 6.7-12.6 HA HIS 7 - HB2 HIS 4 far 0 81 0 - 6.7-12.3 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 0 100 0 - 3.8-7.6 HB2 HIS 5 - HB3 HIS 6 far 0 80 0 - 4.4-7.7 HB3 HIS 8 - HB3 HIS 6 far 0 59 0 - 4.9-10.4 HB3 HIS 4 - HB3 HIS 6 far 0 80 0 - 5.7-9.8 HD3 ARG 135 - HB3 HIS 6 far 0 80 0 - 6.4-64.1 HB3 HIS 10 - HB2 HIS 4 far 0 95 0 - 8.0-22.1 HB3 HIS 8 - HB2 HIS 4 far 0 83 0 - 8.3-16.8 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 7 - HB3 HIS 4 far 8 81 10 - 5.5-12.4 HA HIS 6 - HB3 HIS 4 lone 7 98 85 8 5.2-8.3 11936=4 HA HIS 3 - HB3 HIS 4 lone 3 100 100 3 4.4-6.6 HA ASN 13 - HB3 HIS 10 far 0 35 0 - 8.3-11.0 HA HIS 7 - HB3 HIS 10 far 0 52 0 - 9.1-12.8 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 HB2 HIS 7 - HB3 HIS 4 far 0 100 0 - 4.4-12.4 HB3 HIS 6 - HB3 HIS 4 far 0 99 0 - 5.7-9.8 HB2 HIS 4 - HB3 HIS 10 far 0 74 0 - 8.0-22.1 HB2 HIS 7 - HB3 HIS 10 far 0 73 0 - 8.2-13.7 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 1 assignment used, quality = 1.00: * HB3 HIS 5 + HA HIS 5 OK 100 100 100 100 2.4-3.0 3.0=100 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): 1 out of 4 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 lone 6 100 95 6 5.0-7.5 ~11936=3 HD3 ARG 135 - HB3 HIS 5 far 0 100 0 - 7.7-68.3 HB3 HIS 8 - HB3 HIS 5 far 0 83 0 - 7.8-13.5 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): 3 out of 11 assignments used, quality = 1.00: * HB2 HIS 6 + HA HIS 6 OK 100 100 100 100 2.5-3.0 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 2.4-3.0 3.0=100 HB2 HIS 8 - HA HIS 7 far 8 83 10 - 3.9-6.0 HB2 HIS 6 - HA HIS 7 far 0 85 0 - 4.1-6.0 HB3 HIS 7 - HA HIS 6 far 0 89 0 - 4.2-5.9 HB2 HIS 8 - HA HIS 6 far 0 99 0 - 5.6-8.7 HB2 HIS 6 - HA HIS 3 far 0 80 0 - 6.5-12.8 HB2 HIS 10 - HA HIS 7 far 0 75 0 - 8.1-12.9 HB3 HIS 3 - HA HIS 6 far 0 100 0 - 8.2-12.0 HB3 HIS 7 - HA HIS 3 far 0 65 0 - 9.4-16.8 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 2.4-3.0 3.0=100 HB2 HIS 7 - HA HIS 6 poor 20 98 20 - 3.9-6.0 HB3 HIS 6 - HA HIS 7 poor 17 85 20 - 4.1-6.0 HB2 HIS 4 - HA HIS 3 poor 16 78 20 - 4.0-6.5 HB3 HIS 7 - HA HIS 6 far 0 68 0 - 4.2-5.9 HB2 HIS 4 - HA HIS 6 far 0 99 0 - 5.7-8.4 HB3 HIS 6 - HA HIS 3 far 0 80 0 - 6.7-12.6 HB2 HIS 4 - HA HIS 7 far 0 83 0 - 6.7-12.3 HB2 HIS 7 - HA HIS 3 far 0 76 0 - 8.4-16.6 HB3 HIS 7 - HA HIS 3 far 0 48 0 - 9.4-16.8 Violated in 0 structures by 0.00 A. Peak 58 from aliabs.peaks (4.63, 3.16, 29.14 ppm; 3.03 A increased from 2.70 A): 3 out of 14 assignments used, quality = 1.00: * HA HIS 6 + HB2 HIS 6 OK 100 100 100 100 2.5-3.0 3.0=100 HA HIS 3 + HB3 HIS 3 OK 56 56 100 100 2.4-3.0 3.0=100 HA HIS 7 + HB3 HIS 7 OK 55 55 100 100 2.4-3.0 3.0=100 HA HIS 7 - HB2 HIS 8 far 0 88 0 - 3.9-6.0 HA HIS 4 - HB3 HIS 3 far 0 61 0 - 4.1-5.8 HA HIS 7 - HB2 HIS 6 far 0 96 0 - 4.1-6.0 HA HIS 6 - HB3 HIS 7 far 0 61 0 - 4.2-5.9 HA HIS 4 - HB2 HIS 6 far 0 98 0 - 4.5-9.3 HA HIS 4 - HB3 HIS 7 far 0 58 0 - 5.0-13.1 HA HIS 6 - HB2 HIS 8 far 0 95 0 - 5.6-8.7 HA HIS 3 - HB2 HIS 6 far 0 93 0 - 6.5-12.8 HA HIS 6 - HB3 HIS 3 far 0 65 0 - 8.2-12.0 HA HIS 4 - HB2 HIS 8 far 0 91 0 - 9.3-15.3 HA HIS 3 - HB3 HIS 7 far 0 52 0 - 9.4-16.8 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 HB3 HIS 7 - HB2 HIS 8 far 0 60 0 - 3.7-7.1 HB2 HIS 4 - HB3 HIS 3 far 0 63 0 - 3.7-7.4 HB2 HIS 7 - HB2 HIS 8 far 0 91 0 - 3.8-7.1 HB3 HIS 6 - HB2 HIS 8 far 0 95 0 - 3.9-10.1 HB2 HIS 7 - HB2 HIS 6 far 0 98 0 - 4.1-7.4 HB3 HIS 6 - HB3 HIS 7 far 0 61 0 - 4.3-6.9 HB2 HIS 4 - HB3 HIS 7 far 0 60 0 - 4.5-14.1 HB3 HIS 7 - HB2 HIS 6 far 0 68 0 - 5.1-7.5 HB2 HIS 4 - HB2 HIS 6 far 0 99 0 - 5.7-9.9 HB2 HIS 4 - HB2 HIS 8 far 0 93 0 - 7.5-16.2 HB3 HIS 6 - HB3 HIS 3 far 0 65 0 - 8.1-13.3 HB3 HIS 7 - HB3 HIS 3 far 0 37 0 - 8.2-16.0 HB2 HIS 7 - HB3 HIS 3 far 0 61 0 - 8.3-17.1 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 6 - HB2 HIS 7 far 0 86 0 - 3.9-6.0 HA HIS 3 - HB2 HIS 4 far 0 70 0 - 4.0-6.5 HA HIS 7 - HB3 HIS 6 far 0 96 0 - 4.1-6.0 HA HIS 4 - HB2 HIS 7 far 0 81 0 - 4.3-12.9 HA HIS 4 - HB3 HIS 6 far 0 98 0 - 4.7-9.4 HA HIS 6 - HB2 HIS 4 far 0 80 0 - 5.7-8.4 HA HIS 3 - HB3 HIS 6 far 0 93 0 - 6.7-12.6 HA HIS 7 - HB2 HIS 4 far 0 72 0 - 6.7-12.3 HA HIS 3 - HB2 HIS 7 far 0 75 0 - 8.4-16.6 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 15 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 HB3 HIS 3 - HB2 HIS 4 far 0 79 0 - 3.7-7.4 HB2 HIS 8 - HB2 HIS 7 far 0 84 0 - 3.8-7.1 HB2 HIS 8 - HB3 HIS 6 far 0 99 0 - 3.9-10.1 HB2 HIS 6 - HB2 HIS 7 far 0 86 0 - 4.1-7.4 HB3 HIS 7 - HB3 HIS 6 far 0 89 0 - 4.3-6.9 HB3 HIS 7 - HB2 HIS 4 far 0 65 0 - 4.5-14.1 HB2 HIS 6 - HB2 HIS 4 far 0 80 0 - 5.7-9.9 HB2 HIS 10 - HB2 HIS 7 far 0 75 0 - 7.1-12.6 HB2 HIS 8 - HB2 HIS 4 far 0 78 0 - 7.5-16.2 HB2 HIS 10 - HB2 HIS 4 far 0 70 0 - 7.8-21.0 HB3 HIS 3 - HB3 HIS 6 far 0 100 0 - 8.1-13.3 HB3 HIS 3 - HB2 HIS 7 far 0 85 0 - 8.3-17.1 HB2 HIS 10 - HB3 HIS 6 far 0 93 0 - 9.7-16.1 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 17 85 20 - 3.9-6.0 HB3 HIS 6 - HA HIS 7 far 0 98 0 - 4.1-6.0 HB2 HIS 4 - HA HIS 6 far 0 85 0 - 5.7-8.4 HB2 HIS 4 - HA HIS 7 far 0 100 0 - 6.7-12.3 Violated in 0 structures by 0.00 A. Peak 69 from aliabs.peaks (3.14, 4.64, 55.24 ppm; 3.29 A): 3 out of 9 assignments used, quality = 1.00: * HB3 HIS 7 + HA HIS 7 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 HIS 6 + HA HIS 6 OK 70 70 100 100 2.5-3.0 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 far 0 97 0 - 3.9-6.0 HB3 HIS 6 - HA HIS 7 far 0 68 0 - 4.1-6.0 HB2 HIS 6 - HA HIS 7 far 0 89 0 - 4.1-6.0 HB3 HIS 7 - HA HIS 6 far 0 85 0 - 4.2-5.9 HB2 HIS 8 - HA HIS 6 far 0 79 0 - 5.6-8.7 HB3 HIS 3 - HA HIS 6 far 0 62 0 - 8.2-12.0 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 34 86 80 49 4.1-6.0 ~6030=23, ~57=22, ~116=8...(5) HA HIS 6 + HB2 HIS 7 OK 20 96 50 42 3.9-6.0 6030/3.9=37, 11935=7 HA HIS 4 - HB3 HIS 6 far 6 63 10 - 4.7-9.4 HA HIS 4 - HB2 HIS 7 far 4 81 5 - 4.3-12.9 HA HIS 3 - HB3 HIS 6 far 0 52 0 - 6.7-12.6 HA HIS 3 - HB2 HIS 7 far 0 68 0 - 8.4-16.6 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 9 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 0 97 0 - 3.8-7.1 HB2 HIS 8 - HB3 HIS 6 far 0 79 0 - 3.9-10.1 HB2 HIS 6 - HB2 HIS 7 far 0 89 0 - 4.1-7.4 HB3 HIS 7 - HB3 HIS 6 far 0 86 0 - 4.3-6.9 HB3 HIS 6 - HB2 HIS 7 far 0 68 0 - 4.4-7.7 HB3 HIS 3 - HB3 HIS 6 far 0 63 0 - 8.1-13.3 HB3 HIS 3 - HB2 HIS 7 far 0 81 0 - 8.3-17.1 Violated in 0 structures by 0.00 A. Peak 77 from aliabs.peaks (4.64, 3.14, 29.32 ppm; 3.93 A): 3 out of 11 assignments used, quality = 1.00: * HA HIS 7 + HB3 HIS 7 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 6 + HB2 HIS 6 OK 55 55 100 100 2.5-3.0 3.0=100 HA HIS 7 + HB2 HIS 8 OK 24 89 45 60 3.9-6.0 6036/4.0=53, 11936/1.8=8...(4) HA HIS 7 - HB2 HIS 6 far 9 61 15 - 4.1-6.0 HA HIS 6 - HB3 HIS 7 poor 7 96 25 29 4.2-5.9 6030/3.9=25, 11935/1.8=4 HA HIS 4 - HB2 HIS 6 far 2 43 5 - 4.5-9.3 HA HIS 4 - HB3 HIS 7 far 0 81 0 - 5.0-13.1 HA HIS 6 - HB2 HIS 8 far 0 81 0 - 5.6-8.7 HA HIS 3 - HB2 HIS 6 far 0 35 0 - 6.5-12.8 HA HIS 4 - HB2 HIS 8 far 0 66 0 - 9.3-15.3 HA HIS 3 - HB3 HIS 7 far 0 68 0 - 9.4-16.8 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 0 89 0 - 3.8-7.1 HB3 HIS 6 - HB2 HIS 8 far 0 85 0 - 3.9-10.1 HB2 HIS 7 - HB2 HIS 6 far 0 61 0 - 4.1-7.4 HB3 HIS 6 - HB3 HIS 7 far 0 98 0 - 4.3-6.9 HB2 HIS 4 - HB3 HIS 7 far 0 100 0 - 4.5-14.1 HB2 HIS 4 - HB2 HIS 6 far 0 61 0 - 5.7-9.9 HB2 HIS 4 - HB2 HIS 8 far 0 88 0 - 7.5-16.2 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 far 0 97 0 - 3.9-5.9 HB2 HIS 6 - HA HIS 8 far 0 99 0 - 6.0-9.3 HB2 HIS 8 - HA HIS 10 far 0 88 0 - 6.0-8.9 HB2 HIS 10 - HA HIS 8 far 0 83 0 - 6.3-9.4 HD3 ARG 90 - HA HIS 10 far 0 81 0 - 6.9-40.3 HD2 ARG 23 - HA HIS 10 far 0 82 0 - 7.6-34.0 HD3 ARG 23 - HA HIS 10 far 0 85 0 - 8.2-35.2 HD2 ARG 90 - HA HIS 10 far 0 76 0 - 8.3-40.6 HB3 HIS 7 - HA HIS 10 far 0 82 0 - 8.5-12.4 HB2 HIS 6 - HA HIS 10 far 0 86 0 - 10.0-15.1 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 10 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 - 5.5-8.1 HD3 ARG 135 - HA HIS 8 far 0 78 0 - 7.0-58.8 HB3 HIS 4 - HA HIS 8 far 0 83 0 - 8.1-15.2 HB2 HIS 5 - HA HIS 8 far 0 83 0 - 8.3-12.5 HB3 PHE 87 - HA HIS 10 far 0 63 0 - 8.7-48.3 HD3 ARG 135 - HA HIS 10 far 0 63 0 - 8.8-51.5 HB2 PHE 87 - HA HIS 10 far 0 76 0 - 9.6-49.0 HD3 ARG 84 - HA HIS 10 far 0 58 0 - 9.8-55.6 HB3 CYS 125 - HA HIS 8 far 0 96 0 - 10.0-50.6 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 79 89 100 89 3.9-5.9 ~6036=84, ~11936=19, ~11935=8 HA HIS 8 - HB2 HIS 6 lone 4 95 45 9 6.0-9.3 ~80=4, 2.9/80=1 HA HIS 10 - HB2 HIS 8 lone 2 100 55 3 6.0-8.9 HA HIS 10 - HB3 HIS 7 far 0 89 0 - 8.5-12.4 HA HIS 10 - HB2 HIS 6 far 0 95 0 - 10.0-15.1 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 16 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 - 3.4-7.4 HB3 HIS 4 - HB3 HIS 7 far 3 68 5 - 3.2-13.3 HB3 HIS 8 - HB3 HIS 7 far 0 89 0 - 4.1-7.8 HB3 HIS 4 - HB2 HIS 6 far 0 74 0 - 4.3-9.4 HD3 ARG 135 - HB2 HIS 8 far 0 78 0 - 5.0-58.0 HB3 HIS 8 - HB2 HIS 6 far 0 95 0 - 5.7-11.3 HB2 HIS 5 - HB3 HIS 7 far 0 68 0 - 6.1-9.7 HB3 HIS 4 - HB2 HIS 8 far 0 83 0 - 7.3-15.6 HB2 HIS 5 - HB2 HIS 8 far 0 83 0 - 7.4-12.5 HD3 ARG 135 - HB2 HIS 6 far 0 69 0 - 8.0-64.7 HB3 CYS 125 - HB2 HIS 6 far 0 88 0 - 8.9-54.1 HD3 ARG 135 - HB3 HIS 7 far 0 64 0 - 8.9-62.2 HB3 CYS 125 - HB3 HIS 7 far 0 81 0 - 8.9-51.9 HD2 ARG 84 - HB3 HIS 7 far 0 59 0 - 9.5-65.0 HD3 ARG 84 - HB3 HIS 7 far 0 59 0 - 9.9-66.8 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 - 5.5-8.1 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 4 assignments used, quality = 1.00: * HB2 HIS 8 + HB3 HIS 8 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 7 - HB3 HIS 8 far 0 97 0 - 4.1-7.8 HB2 HIS 10 - HB3 HIS 8 far 0 83 0 - 5.1-9.0 HB2 HIS 6 - HB3 HIS 8 far 0 99 0 - 5.7-11.3 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 6 assignments used, quality = 1.00: * HB2 SER 9 + HA SER 9 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 SER 9 + HA SER 9 OK 95 95 100 100 2.2-3.0 3.0=100 HB3 SER 33 + HA SER 33 OK 42 42 100 100 2.5-3.0 3.0=100 HA VAL 118 - HA SER 107 far 0 88 0 - 7.3-9.6 HA LEU 62 - HA SER 107 far 0 63 0 - 9.2-11.6 HA ARG 90 - HA SER 9 far 0 93 0 - 9.8-45.0 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 4 assignments used, quality = 1.00: * HB3 SER 9 + HA SER 9 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 SER 9 + HA SER 9 OK 95 95 100 100 2.5-3.0 3.0=100 HA VAL 118 - HA SER 107 far 0 89 0 - 7.3-9.6 HA ARG 90 - HA SER 9 far 0 100 0 - 9.8-45.0 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 4 assignments used, quality = 1.00: * HA SER 9 + HB2 SER 9 OK 100 100 100 100 2.5-3.0 3.0=100 HA SER 9 + HB3 SER 9 OK 84 84 100 100 2.2-3.0 3.0=100 HA CYS 125 - HB3 SER 9 far 0 55 0 - 8.2-47.1 HA CYS 125 - HB2 SER 9 far 0 73 0 - 8.7-48.9 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 4 assignments used, quality = 1.00: * HA SER 9 + HB3 SER 9 OK 100 100 100 100 2.2-3.0 3.0=100 HA SER 9 + HB2 SER 9 OK 84 84 100 100 2.5-3.0 3.0=100 HA CYS 125 - HB3 SER 9 far 0 73 0 - 8.2-47.1 HA CYS 125 - HB2 SER 9 far 0 55 0 - 8.7-48.9 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 11 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 6 - HA HIS 8 far 0 78 0 - 6.0-9.3 HB2 HIS 8 - HA HIS 10 far 0 83 0 - 6.0-8.9 HB2 HIS 10 - HA HIS 8 far 0 88 0 - 6.3-9.4 HD3 ARG 90 - HA HIS 10 far 0 99 0 - 6.9-40.3 HD2 ARG 23 - HA HIS 10 far 0 98 0 - 7.6-34.0 HD3 ARG 23 - HA HIS 10 far 0 96 0 - 8.2-35.2 HD2 ARG 90 - HA HIS 10 far 0 100 0 - 8.3-40.6 HD3 ARG 84 - HA HIS 10 far 0 87 0 - 9.8-55.6 HB2 HIS 6 - HA HIS 10 far 0 93 0 - 10.0-15.1 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 10 assignments used, quality = 1.00: * HB3 HIS 10 + HA HIS 10 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 135 - HA HIS 8 far 0 82 0 - 7.0-58.8 HB3 HIS 10 - HA HIS 8 far 0 88 0 - 7.2-9.5 HB3 HIS 4 - HA HIS 8 far 0 79 0 - 8.1-15.2 HB2 HIS 5 - HA HIS 8 far 0 79 0 - 8.3-12.5 HB3 PHE 87 - HA HIS 10 far 0 97 0 - 8.7-48.3 HD3 ARG 135 - HA HIS 10 far 0 97 0 - 8.8-51.5 HA VAL 93 - HA HIS 8 far 0 83 0 - 9.1-47.6 HB2 PHE 87 - HA HIS 10 far 0 87 0 - 9.6-49.0 HA VAL 93 - HA HIS 10 far 0 97 0 - 9.8-40.6 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 - 6.3-9.4 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 8 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 3 far 0 81 0 - 5.0-10.0 HB3 HIS 4 - HB3 HIS 3 far 0 81 0 - 5.1-7.3 HB3 PHE 87 - HB2 HIS 10 far 0 97 0 - 8.4-48.9 HB3 HIS 10 - HB3 HIS 3 far 0 90 0 - 8.5-26.5 HB3 HIS 4 - HB2 HIS 10 far 0 95 0 - 8.7-22.1 HB2 PHE 87 - HB2 HIS 10 far 0 87 0 - 9.4-49.6 HD3 ARG 135 - HB2 HIS 10 far 0 97 0 - 9.7-51.6 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 3 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 - 7.2-9.5 HA HIS 8 - HB3 HIS 4 far 0 74 0 - 8.1-15.2 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 12 assignments used, quality = 1.00: * HB2 HIS 10 + HB3 HIS 10 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 6 - HB3 HIS 4 far 0 64 0 - 4.3-9.4 HB3 HIS 3 - HB3 HIS 4 far 0 69 0 - 5.1-7.3 HD2 ARG 23 - HB3 HIS 10 far 0 98 0 - 6.1-33.9 HB2 HIS 8 - HB3 HIS 10 far 0 83 0 - 6.9-10.4 HD3 ARG 23 - HB3 HIS 10 far 0 96 0 - 7.3-34.9 HB2 HIS 8 - HB3 HIS 4 far 0 54 0 - 7.3-15.6 HB3 HIS 3 - HB3 HIS 10 far 0 97 0 - 8.5-26.5 HB2 HIS 10 - HB3 HIS 4 far 0 74 0 - 8.7-22.1 HD3 ARG 90 - HB3 HIS 10 far 0 99 0 - 8.7-39.3 HB2 HIS 6 - HB3 HIS 10 far 0 93 0 - 9.0-16.9 HD2 ARG 90 - HB3 HIS 10 far 0 100 0 - 9.8-39.5 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 2 assignments used, quality = 1.00: * H MET 11 + HA MET 11 OK 100 100 100 100 2.8-2.9 2.9=100 H VAL 93 - HA MET 11 far 0 81 0 - 9.9-39.2 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 7 assignments used, quality = 1.00: * HB2 MET 11 + HA MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 84 - HA MET 11 far 0 93 0 - 5.0-51.4 HB2 ARG 135 - HA HIS 5 far 0 56 0 - 6.7-70.2 HB2 ARG 90 - HA MET 11 far 0 100 0 - 7.3-40.5 HB3 LYS 95 - HA HIS 5 far 0 74 0 - 8.8-56.0 HB2 LYS 95 - HA MET 11 far 0 85 0 - 9.0-40.6 HB3 LYS 95 - HA MET 11 far 0 78 0 - 9.2-41.4 Violated in 0 structures by 0.00 A. Peak 129 from aliabs.peaks (2.01, 4.41, 54.98 ppm; 3.03 A): 1 out of 11 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 far 5 92 5 - 3.3-4.7 HB3 GLU 91 - HA MET 11 far 0 83 0 - 3.9-42.2 HB2 GLN 134 - HA HIS 5 far 0 95 0 - 4.2-67.7 HB2 GLU 91 - HA MET 11 far 0 87 0 - 4.2-42.6 HB3 PRO 117 - HA HIS 5 far 0 96 0 - 4.9-59.8 HB VAL 20 - HA MET 11 far 0 96 0 - 6.9-25.6 HG3 ARG 135 - HA HIS 5 far 0 78 0 - 7.9-67.8 QE MET 11 - HA HIS 5 far 0 87 0 - 8.4-19.2 HG2 ARG 90 - HA MET 11 far 0 97 0 - 8.8-40.3 HB3 LEU 53 - HA HIS 5 far 0 80 0 - 9.9-61.1 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 = 0.98: * HG2 MET 11 + HA MET 11 OK 98 100 100 98 2.5-3.8 148=81, 6069/2.9=54...(8) HG2 GLN 101 - HA HIS 5 far 0 82 0 - 9.3-49.0 HG2 GLN 82 - HA MET 11 far 0 93 0 - 9.7-51.5 HG3 GLU 128 - HA MET 11 far 0 76 0 - 10.0-44.2 Violated in 1 structures by 0.01 A. Peak 131 from aliabs.peaks (2.51, 4.41, 54.98 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: * HG3 MET 11 + HA MET 11 OK 100 100 100 100 2.1-4.1 4.0=100 HG3 GLN 127 - HA HIS 5 far 0 53 0 - 8.1-61.7 HG3 GLU 102 - HA HIS 5 far 0 98 0 - 8.8-53.1 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 4 assignments used, quality = 1.00: * H ALA 12 + HA MET 11 OK 100 100 100 100 2.3-2.6 3.6=100 H VAL 132 - HA HIS 5 far 0 74 0 - 8.0-64.1 H ASP 47 - HA HIS 5 far 0 96 0 - 8.3-61.3 H VAL 93 - HA MET 11 far 0 93 0 - 9.9-39.2 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 1 assignment used, quality = 1.00: * HA MET 11 + HB2 MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 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): 1 out of 7 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 poor 14 92 25 59 3.0-4.2 11791/2.9=28, 4.2=21...(6) HB3 GLU 91 - HB2 MET 11 far 0 83 0 - 4.2-42.8 HB2 GLU 91 - HB2 MET 11 far 0 87 0 - 5.3-42.5 HG2 ARG 90 - HB2 MET 11 far 0 97 0 - 6.1-39.9 HB VAL 20 - HB2 MET 11 far 0 96 0 - 6.8-25.4 HG3 ARG 135 - HB2 MET 11 far 0 83 0 - 9.8-49.4 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 3 assignments used, quality = 1.00: * HG2 MET 11 + HB2 MET 11 OK 100 100 100 100 2.2-2.8 2.9=100 HG3 GLU 128 - HB2 MET 11 far 0 76 0 - 7.1-46.5 HG2 GLN 82 - HB2 MET 11 far 0 93 0 - 9.2-51.0 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 1 assignment used, quality = 1.00: * HG3 MET 11 + HB2 MET 11 OK 100 100 100 100 2.2-3.0 2.9=100 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 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 MET 11 - HB VAL 20 far 0 46 0 - 6.9-25.6 HA SER 33 - HB VAL 20 far 0 29 0 - 10.0-22.7 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 HB3 ARG 84 - HB3 MET 11 far 0 93 0 - 3.9-49.5 HB2 ARG 90 - HB3 MET 11 far 0 100 0 - 6.3-38.8 HB2 MET 11 - HB VAL 20 far 0 46 0 - 6.8-25.4 HB2 LYS 95 - HB3 MET 11 far 0 85 0 - 7.4-42.8 HB2 ARG 90 - HB VAL 20 far 0 45 0 - 7.6-34.7 HB3 LYS 95 - HB3 MET 11 far 0 78 0 - 7.9-43.5 HB2 ARG 135 - HB3 MET 11 far 0 60 0 - 8.2-51.4 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 2.8-3.0 2.9=100 HG2 GLN 82 - HB3 MET 11 far 0 93 0 - 7.7-49.5 HG3 GLU 128 - HB3 MET 11 far 0 76 0 - 8.4-46.2 HG2 MET 11 - HB VAL 20 far 0 46 0 - 8.7-26.0 HG3 GLN 82 - HB3 MET 11 far 0 97 0 - 9.2-49.1 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 3 assignments used, quality = 1.00: * HG3 MET 11 + HB3 MET 11 OK 100 100 100 100 2.2-2.8 2.9=100 HB2 ASP 78 - HB VAL 20 far 0 38 0 - 6.9-26.0 HG3 MET 11 - HB VAL 20 far 0 46 0 - 8.7-25.0 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 1 assignment used, quality = 1.00: * HA MET 11 + HG2 MET 11 OK 100 100 100 100 2.5-3.8 130=100, 2.9/6069=61...(10) 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 6 assignments used, quality = 1.00: * HB2 MET 11 + HG2 MET 11 OK 100 100 100 100 2.2-2.8 2.9=100 HB3 ARG 84 - HG2 MET 11 far 0 93 0 - 4.7-51.9 HB2 ARG 90 - HG2 MET 11 far 0 100 0 - 6.8-40.9 HB2 LYS 95 - HG2 MET 11 far 0 85 0 - 8.3-42.7 HB3 LYS 95 - HG2 MET 11 far 0 78 0 - 8.8-43.3 HB2 ARG 135 - HG2 MET 11 far 0 60 0 - 9.9-52.3 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 6 assignments used, quality = 1.00: * HB3 MET 11 + HG2 MET 11 OK 100 100 100 100 2.8-3.0 2.9=100 QE MET 11 + HG2 MET 11 OK 92 92 100 100 2.0-3.2 3.3=100 HB3 GLU 91 - HG2 MET 11 far 0 83 0 - 6.3-42.9 HB2 GLU 91 - HG2 MET 11 far 0 87 0 - 7.4-43.2 HG2 ARG 90 - HG2 MET 11 far 0 97 0 - 7.7-40.8 HB VAL 20 - HG2 MET 11 far 0 96 0 - 8.7-26.0 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 1 assignment used, quality = 1.00: * HG3 MET 11 + HG2 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 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 2.1-4.1 4.0=100 Violated in 2 structures by 0.00 A. Peak 156 from aliabs.peaks (1.92, 2.51, 31.62 ppm; 3.54 A): 1 out of 6 assignments used, quality = 1.00: * HB2 MET 11 + HG3 MET 11 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 ARG 84 - HG3 MET 11 far 5 93 5 - 3.0-51.1 HB2 ARG 90 - HG3 MET 11 far 0 100 0 - 8.0-40.1 HB2 LYS 95 - HG3 MET 11 far 0 85 0 - 8.4-43.0 HB3 LYS 95 - HG3 MET 11 far 0 78 0 - 8.6-43.7 HB2 ARG 135 - HG3 MET 11 far 0 60 0 - 8.9-51.8 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 7 assignments used, quality = 1.00: * HB3 MET 11 + HG3 MET 11 OK 100 100 100 100 2.2-2.8 2.9=100 QE MET 11 + HG3 MET 11 OK 92 92 100 100 2.0-3.2 3.3=100 HB3 GLU 91 - HG3 MET 11 far 0 83 0 - 5.5-43.1 HB2 GLU 91 - HG3 MET 11 far 0 87 0 - 7.0-42.8 HB VAL 20 - HG3 MET 11 far 0 96 0 - 8.7-25.0 HG2 ARG 90 - HG3 MET 11 far 0 97 0 - 8.9-40.0 HG3 ARG 135 - HG3 MET 11 far 0 83 0 - 9.0-49.2 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 4 assignments used, quality = 1.00: * HG2 MET 11 + HG3 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 82 - HG3 MET 11 far 0 93 0 - 8.0-51.3 HG3 GLN 82 - HG3 MET 11 far 0 97 0 - 9.3-50.9 HG3 GLU 128 - HG3 MET 11 far 0 76 0 - 9.4-46.4 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): 6 out of 34 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 HG2 LYS 24 - HA ALA 21 far 0 72 0 - 3.3-8.9 HG2 LYS 19 - HA ALA 16 far 0 88 0 - 3.4-8.5 QB ALA 108 - HA ALA 109 far 0 66 0 - 3.7-4.2 QB ALA 15 - HA ALA 16 far 0 68 0 - 3.7-4.4 QB ALA 110 - HA ALA 109 far 0 60 0 - 3.7-4.0 QB ALA 109 - HA ALA 110 far 0 55 0 - 4.1-4.7 QB ALA 110 - HA ALA 108 far 0 56 0 - 4.2-5.9 QB ALA 15 - HA ALA 12 far 0 78 0 - 4.2-9.9 QB ALA 12 - HA ALA 15 far 0 94 0 - 4.3-10.0 QB ALA 21 - HA ALA 16 far 0 85 0 - 4.4-7.9 QB ALA 109 - HA ALA 108 far 0 45 0 - 4.5-4.9 HG2 LYS 19 - HA ALA 15 far 0 88 0 - 5.5-11.6 QB ALA 108 - HA ALA 110 far 0 74 0 - 5.6-6.9 QB ALA 12 - HA ALA 16 far 0 94 0 - 5.7-12.5 HG3 LYS 31 - HA ALA 21 far 0 53 0 - 6.0-24.0 HG2 LYS 19 - HA ALA 21 far 0 81 0 - 6.3-6.9 QB ALA 28 - HA ALA 21 far 0 56 0 - 6.6-18.3 HG3 LYS 31 - HA ALA 12 far 0 68 0 - 6.9-38.6 HG2 LYS 19 - HA ALA 12 far 0 97 0 - 7.0-21.6 QB ALA 21 - HA ALA 15 far 0 86 0 - 7.2-10.4 QB ALA 15 - HA ALA 21 far 0 62 0 - 7.7-12.8 HG2 LYS 95 - HA ALA 12 far 0 60 0 - 8.8-41.2 HG3 LYS 26 - HA ALA 21 far 0 62 0 - 8.9-15.7 HG3 LYS 95 - HA ALA 12 far 0 68 0 - 9.2-39.5 HG2 LYS 95 - HA ALA 15 far 0 52 0 - 9.4-49.0 HG3 LYS 31 - HA ALA 16 far 0 59 0 - 9.4-28.3 QB ALA 21 - HA ALA 12 far 0 95 0 - 9.6-18.6 QB ALA 12 - HA ALA 21 far 0 87 0 - 10.0-19.8 Violated in 0 structures by 0.00 A. Peak 166 from aliabs.peaks (4.28, 1.36, 18.89 ppm; 2.50 A): 3 out of 29 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 THR 18 + QB ALA 21 OK 33 81 100 41 1.9-2.6 10686=24, 6180/2.9=10...(4) HA LEU 22 - QB ALA 21 far 0 61 0 - 3.7-4.3 HA LYS 19 - QB ALA 21 far 0 71 0 - 4.3-5.3 HA ALA 15 - QB ALA 12 far 0 99 0 - 4.3-10.0 HA ALA 16 - QB ALA 21 far 0 77 0 - 4.4-7.9 HA PHE 87 - QB ALA 12 far 0 92 0 - 4.9-33.4 HA THR 25 - QB ALA 21 far 0 80 0 - 5.0-11.1 HA LYS 36 - QB ALA 29 far 0 58 0 - 5.2-8.8 HA THR 25 - QB ALA 29 far 0 57 0 - 5.3-11.5 HA LYS 31 - QB ALA 29 far 0 49 0 - 5.5-6.6 HA LYS 26 - QB ALA 29 far 0 46 0 - 5.6-9.5 HA ALA 16 - QB ALA 12 far 0 98 0 - 5.7-12.5 HA LYS 31 - QB ALA 12 far 0 92 0 - 6.2-33.7 HA ARG 23 - QB ALA 21 far 0 79 0 - 6.2-6.8 HA LEU 22 - QB ALA 29 far 0 42 0 - 6.9-18.1 HA THR 18 - QB ALA 12 far 0 100 0 - 7.0-17.2 HA PHE 87 - QB ALA 21 far 0 70 0 - 7.1-28.7 HA ALA 15 - QB ALA 21 far 0 80 0 - 7.2-10.4 HA LYS 26 - QB ALA 21 far 0 66 0 - 7.4-12.0 HA SER 74 - QB ALA 21 far 0 81 0 - 7.9-24.5 HA ARG 23 - QB ALA 29 far 0 56 0 - 7.9-14.7 HA SER 74 - QB ALA 12 far 0 100 0 - 8.1-27.1 HA LYS 31 - QB ALA 21 far 0 70 0 - 8.4-21.0 HA TYR 76 - QB ALA 21 far 0 57 0 - 8.9-24.4 HA LYS 19 - QB ALA 12 far 0 93 0 - 9.1-20.2 HA ALA 12 - QB ALA 21 far 0 82 0 - 9.6-18.6 HA ALA 21 - QB ALA 12 far 0 97 0 - 10.0-19.8 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 3 assignments used, quality = 1.00: * HB2 ASN 13 + HA ASN 13 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 ASP 71 - HA ASN 13 far 0 97 0 - 6.4-34.9 HB3 ASN 85 - HA ASN 13 far 0 100 0 - 8.4-44.5 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 1 assignment used, quality = 1.00: * HB3 ASN 13 + HA ASN 13 OK 100 100 100 100 2.5-3.0 3.0=100 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 2.3-2.8 3.0=100 HA HIS 7 - HB2 ASN 13 far 0 98 0 - 9.5-22.6 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 2.5-3.0 3.0=100 HA HIS 7 - HB3 ASN 13 far 0 98 0 - 9.8-21.9 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 3 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 71 - HB3 ASN 13 far 0 97 0 - 8.5-33.5 HB3 ASN 85 - HB3 ASN 13 far 0 100 0 - 9.9-43.5 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): 6 out of 34 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 HG2 LYS 24 - HA ALA 21 far 4 72 5 - 3.3-8.9 HG2 LYS 19 - HA ALA 16 far 0 88 0 - 3.4-8.5 QB ALA 108 - HA ALA 109 far 0 100 0 - 3.7-4.2 QB ALA 16 - HA ALA 15 far 0 97 0 - 3.7-4.5 QB ALA 15 - HA ALA 16 far 0 94 0 - 3.7-4.4 QB ALA 110 - HA ALA 109 far 0 100 0 - 3.7-4.0 QB ALA 109 - HA ALA 110 far 0 72 0 - 4.1-4.7 QB ALA 110 - HA ALA 108 far 0 68 0 - 4.2-5.9 QB ALA 15 - HA ALA 12 far 0 94 0 - 4.2-9.9 QB ALA 12 - HA ALA 15 far 0 78 0 - 4.3-10.0 QB ALA 109 - HA ALA 108 far 0 66 0 - 4.5-4.9 QB ALA 16 - HA ALA 21 far 0 68 0 - 5.1-10.0 HG2 LYS 19 - HA ALA 15 far 0 97 0 - 5.5-11.6 QB ALA 108 - HA ALA 110 far 0 74 0 - 5.6-6.9 QB ALA 12 - HA ALA 16 far 0 69 0 - 5.7-12.5 HG3 LYS 31 - HA ALA 21 far 0 73 0 - 6.0-24.0 HG2 LYS 19 - HA ALA 21 far 0 67 0 - 6.3-6.9 QB ALA 28 - HA ALA 21 far 0 73 0 - 6.6-18.3 HG3 LYS 31 - HA ALA 12 far 0 93 0 - 6.9-38.6 HG2 LYS 19 - HA ALA 12 far 0 88 0 - 7.0-21.6 QB ALA 15 - HA ALA 21 far 0 73 0 - 7.7-12.8 QB ALA 16 - HA ALA 12 far 0 89 0 - 7.9-12.9 HG2 LYS 95 - HA ALA 12 far 0 92 0 - 8.8-41.2 HG3 LYS 26 - HA ALA 21 far 0 73 0 - 8.9-15.7 HG3 LYS 95 - HA ALA 12 far 0 93 0 - 9.2-39.5 HG2 LYS 95 - HA ALA 15 far 0 99 0 - 9.4-49.0 HG3 LYS 31 - HA ALA 16 far 0 93 0 - 9.4-28.3 QB ALA 12 - HA ALA 21 far 0 50 0 - 10.0-19.8 Violated in 0 structures by 0.00 A. Peak 203 from aliabs.peaks (4.28, 1.38, 19.04 ppm; 2.63 A): 5 out of 51 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 ARG 23 - QB ALA 28 far 0 100 0 - 3.3-13.3 HA LEU 22 - QB ALA 28 far 0 92 0 - 3.6-16.6 HA ALA 109 - QB ALA 108 far 0 97 0 - 3.7-4.2 HA ALA 15 - QB ALA 16 far 0 90 0 - 3.7-4.5 HA ALA 16 - QB ALA 15 far 0 100 0 - 3.7-4.4 HA ALA 109 - QB ALA 110 far 0 98 0 - 3.7-4.0 HB THR 115 - QB ALA 109 far 0 95 0 - 3.8-5.6 HA LYS 26 - QB ALA 28 far 0 96 0 - 3.8-7.7 HA ALA 110 - QB ALA 109 far 0 96 0 - 4.1-4.7 HA ALA 108 - QB ALA 110 far 0 98 0 - 4.2-5.9 HA ALA 12 - QB ALA 15 far 0 99 0 - 4.2-9.9 HA SER 74 - QB ALA 15 far 0 98 0 - 4.4-29.7 HA PHE 87 - QB ALA 15 far 0 98 0 - 4.5-35.2 HA ALA 108 - QB ALA 109 far 0 97 0 - 4.5-4.9 HA THR 18 - QB ALA 16 far 0 90 0 - 4.6-7.0 HA ALA 21 - QB ALA 16 far 0 77 0 - 5.1-10.0 HA LYS 36 - QB ALA 29 far 0 99 0 - 5.2-8.8 HA THR 18 - QB ALA 15 far 0 100 0 - 5.3-9.1 HA THR 25 - QB ALA 29 far 0 95 0 - 5.3-11.5 HA LYS 31 - QB ALA 29 far 0 97 0 - 5.5-6.6 HA LYS 26 - QB ALA 29 far 0 95 0 - 5.6-9.5 HA THR 25 - QB ALA 28 far 0 96 0 - 5.6-10.0 HA ALA 110 - QB ALA 108 far 0 96 0 - 5.6-6.9 HA LYS 19 - QB ALA 16 far 0 87 0 - 6.1-9.7 HA SER 74 - QB ALA 16 far 0 86 0 - 6.5-32.4 HA ALA 21 - QB ALA 28 far 0 89 0 - 6.6-18.3 HA LYS 31 - QB ALA 28 far 0 97 0 - 6.6-7.7 HA LYS 19 - QB ALA 15 far 0 99 0 - 6.9-12.4 HA LEU 22 - QB ALA 29 far 0 92 0 - 6.9-18.1 HB THR 115 - QB ALA 110 far 0 96 0 - 7.5-10.1 HA ALA 21 - QB ALA 15 far 0 90 0 - 7.7-12.8 HA LYS 31 - QB ALA 16 far 0 86 0 - 7.9-25.4 HA ALA 12 - QB ALA 16 far 0 88 0 - 7.9-12.9 HA PHE 87 - QB ALA 16 far 0 86 0 - 7.9-37.2 HA ARG 23 - QB ALA 29 far 0 100 0 - 7.9-14.7 HB THR 115 - QB ALA 108 far 0 95 0 - 8.1-10.2 HA GLN 61 - QB ALA 110 far 0 98 0 - 8.1-10.2 HA TYR 76 - QB ALA 15 far 0 63 0 - 8.3-30.1 HA THR 18 - QB ALA 28 far 0 100 0 - 8.5-20.9 HA GLN 61 - QB ALA 109 far 0 97 0 - 8.6-10.2 HA LYS 19 - QB ALA 28 far 0 98 0 - 8.6-20.2 HA LEU 22 - QB ALA 16 far 0 80 0 - 8.7-13.1 HA THR 25 - QB ALA 15 far 0 97 0 - 8.7-19.0 HA ARG 23 - QB ALA 15 far 0 100 0 - 8.9-15.3 HA LEU 22 - QB ALA 15 far 0 93 0 - 9.1-14.5 HA ARG 23 - QB ALA 16 far 0 90 0 - 9.7-14.0 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): 5 out of 37 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 HG2 LYS 24 - HA ALA 21 far 0 45 0 - 3.3-8.9 HG2 LYS 19 - HA ALA 16 far 0 81 0 - 3.4-8.5 QB ALA 108 - HA ALA 109 far 0 83 0 - 3.7-4.2 QB ALA 16 - HA ALA 15 far 0 94 0 - 3.7-4.5 QB ALA 15 - HA ALA 16 far 0 97 0 - 3.7-4.4 QB ALA 110 - HA ALA 109 far 0 86 0 - 3.7-4.0 QB ALA 109 - HA ALA 110 far 0 90 0 - 4.1-4.7 QB ALA 110 - HA ALA 108 far 0 90 0 - 4.2-5.9 QB ALA 15 - HA ALA 12 far 0 89 0 - 4.2-9.9 QB ALA 109 - HA ALA 108 far 0 93 0 - 4.5-4.9 QB ALA 16 - HA ALA 21 far 0 55 0 - 5.1-10.0 HG2 LYS 19 - HA ALA 15 far 0 71 0 - 5.5-11.6 QB ALA 108 - HA ALA 110 far 0 83 0 - 5.6-6.9 HG2 LYS 86 - HA ALA 21 far 0 36 0 - 5.8-30.5 HG3 LYS 31 - HA ALA 21 far 0 53 0 - 6.0-24.0 HG2 LYS 19 - HA ALA 21 far 0 38 0 - 6.3-6.9 QB ALA 28 - HA ALA 21 far 0 52 0 - 6.6-18.3 HG3 LYS 31 - HA ALA 12 far 0 92 0 - 6.9-38.6 HG2 LYS 19 - HA ALA 12 far 0 71 0 - 7.0-21.6 QB ALA 34 - HA ALA 21 far 0 35 0 - 7.0-18.5 QB ALA 34 - HA ALA 15 far 0 67 0 - 7.2-26.9 QB ALA 15 - HA ALA 21 far 0 50 0 - 7.7-12.8 QB ALA 16 - HA ALA 12 far 0 94 0 - 7.9-12.9 HG2 LYS 95 - HA ALA 12 far 0 93 0 - 8.8-41.2 QB ALA 34 - HA ALA 16 far 0 76 0 - 8.8-26.3 HG3 LYS 26 - HA ALA 21 far 0 50 0 - 8.9-15.7 HG2 LYS 86 - HA ALA 16 far 0 78 0 - 9.0-39.8 HG3 LYS 95 - HA ALA 12 far 0 92 0 - 9.2-39.5 QB ALA 34 - HA ALA 12 far 0 66 0 - 9.2-31.0 HG2 LYS 86 - HA ALA 15 far 0 69 0 - 9.3-40.7 HG2 LYS 95 - HA ALA 15 far 0 94 0 - 9.4-49.0 HG3 LYS 31 - HA ALA 16 far 0 99 0 - 9.4-28.3 Violated in 0 structures by 0.00 A. Peak 211 from aliabs.peaks (4.28, 1.39, 19.11 ppm; 2.67 A): 5 out of 53 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 ARG 23 - QB ALA 28 far 0 96 0 - 3.3-13.3 HA LEU 22 - QB ALA 28 far 0 90 0 - 3.6-16.6 HA ALA 109 - QB ALA 108 far 0 86 0 - 3.7-4.2 HA ALA 15 - QB ALA 16 far 0 100 0 - 3.7-4.5 HA ALA 16 - QB ALA 15 far 0 90 0 - 3.7-4.4 HA GLN 27 - QB ALA 28 far 0 53 0 - 3.7-5.0 HA ALA 109 - QB ALA 110 far 0 93 0 - 3.7-4.0 HB THR 115 - QB ALA 109 far 0 99 0 - 3.8-5.6 HA LYS 26 - QB ALA 28 far 0 93 0 - 3.8-7.7 HA ALA 110 - QB ALA 109 far 0 97 0 - 4.1-4.7 HA ALA 108 - QB ALA 110 far 0 93 0 - 4.2-5.9 HA ALA 12 - QB ALA 15 far 0 86 0 - 4.2-9.9 HA SER 74 - QB ALA 15 far 0 83 0 - 4.4-29.7 HA PHE 87 - QB ALA 15 far 0 88 0 - 4.5-35.2 HA ALA 108 - QB ALA 109 far 0 99 0 - 4.5-4.9 HA THR 18 - QB ALA 16 far 0 100 0 - 4.6-7.0 HA ALA 21 - QB ALA 16 far 0 85 0 - 5.1-10.0 HA LYS 36 - QB ALA 29 far 0 76 0 - 5.2-8.8 HA THR 18 - QB ALA 15 far 0 89 0 - 5.3-9.1 HA THR 25 - QB ALA 29 far 0 69 0 - 5.3-11.5 HA GLN 27 - QB ALA 29 far 0 41 0 - 5.4-7.9 HA LYS 31 - QB ALA 29 far 0 78 0 - 5.5-6.6 HA LYS 26 - QB ALA 29 far 0 76 0 - 5.6-9.5 HA THR 25 - QB ALA 28 far 0 86 0 - 5.6-10.0 HA ALA 110 - QB ALA 108 far 0 83 0 - 5.6-6.9 HA LYS 19 - QB ALA 16 far 0 100 0 - 6.1-9.7 HA SER 74 - QB ALA 16 far 0 96 0 - 6.5-32.4 HA ALA 21 - QB ALA 28 far 0 77 0 - 6.6-18.3 HA LYS 31 - QB ALA 28 far 0 94 0 - 6.6-7.7 HA LYS 19 - QB ALA 15 far 0 89 0 - 6.9-12.4 HA LEU 22 - QB ALA 29 far 0 73 0 - 6.9-18.1 HB THR 115 - QB ALA 110 far 0 93 0 - 7.5-10.1 HA ALA 21 - QB ALA 15 far 0 71 0 - 7.7-12.8 HA LYS 31 - QB ALA 16 far 0 99 0 - 7.9-25.4 HA ALA 12 - QB ALA 16 far 0 98 0 - 7.9-12.9 HA PHE 87 - QB ALA 16 far 0 99 0 - 7.9-37.2 HA ARG 23 - QB ALA 29 far 0 80 0 - 7.9-14.7 HB THR 115 - QB ALA 108 far 0 85 0 - 8.1-10.2 HA GLN 61 - QB ALA 110 far 0 93 0 - 8.1-10.2 HA THR 18 - QB ALA 28 far 0 95 0 - 8.5-20.9 HA GLN 61 - QB ALA 109 far 0 99 0 - 8.6-10.2 HA LYS 19 - QB ALA 28 far 0 95 0 - 8.6-20.2 HA GLN 27 - QB ALA 15 far 0 49 0 - 8.7-23.4 HA LEU 22 - QB ALA 16 far 0 97 0 - 8.7-13.1 HA THR 25 - QB ALA 15 far 0 80 0 - 8.7-19.0 HA ARG 23 - QB ALA 15 far 0 90 0 - 8.9-15.3 HA LEU 22 - QB ALA 15 far 0 84 0 - 9.1-14.5 HA ARG 23 - QB ALA 16 far 0 100 0 - 9.7-14.0 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 6 assignments used, quality = 1.00: * HB THR 18 + HA THR 18 OK 100 100 100 100 2.7-3.0 3.0=100 HB THR 25 + HA THR 25 OK 74 74 100 100 2.3-2.6 3.0=100 HB THR 25 - HA SER 74 far 0 65 0 - 7.0-22.1 HB THR 25 - HA THR 18 far 0 99 0 - 7.1-16.8 HB THR 83 - HA THR 18 far 0 60 0 - 8.2-38.0 HB THR 18 - HA SER 74 far 0 68 0 - 9.9-34.6 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 10 assignments used, quality = 1.00: * QG2 THR 18 + HA THR 18 OK 100 100 100 100 2.7-3.1 3.2=100 QG2 THR 25 + HA THR 25 OK 70 70 100 100 2.3-3.2 3.2=100 QG2 VAL 77 + HA SER 74 OK 47 48 100 99 4.2-5.1 2.1/11188=91, 11195=69...(13) HG12 ILE 32 - HA THR 25 far 7 71 10 - 5.6-10.5 QG2 THR 25 - HA THR 18 far 5 96 5 - 5.3-14.0 QG2 THR 25 - HA SER 74 far 3 61 5 - 6.0-18.6 QG2 VAL 77 - HA THR 18 far 0 81 0 - 8.0-28.7 QG2 THR 18 - HA SER 74 far 0 68 0 - 8.2-28.5 QG2 THR 18 - HA THR 25 far 0 77 0 - 9.0-14.4 QG2 VAL 132 - HA SER 74 far 0 41 0 - 9.4-10.1 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 20 assignments used, quality = 0.99: * HA THR 18 + HB THR 18 OK 93 100 100 93 2.7-3.0 3.0=71, 3.0/6140=37...(9) HA THR 25 + HB THR 25 OK 80 86 100 93 2.3-2.6 3.0=71, 3.0/6241=33...(10) HA ALA 16 - HB THR 18 far 0 100 0 - 4.3-8.1 HA LYS 26 - HB THR 25 far 0 81 0 - 4.7-6.0 HA LYS 19 - HB THR 18 far 0 97 0 - 4.8-5.4 HA LEU 22 - HB THR 25 far 0 77 0 - 5.9-10.8 HA ALA 21 - HB THR 25 far 0 80 0 - 6.2-13.4 HA ALA 15 - HB THR 18 far 0 100 0 - 6.4-11.1 HA LYS 19 - HB THR 25 far 0 85 0 - 6.5-16.5 HA ALA 21 - HB THR 18 far 0 93 0 - 6.8-8.1 HA SER 74 - HB THR 25 far 0 88 0 - 7.0-22.1 HA THR 18 - HB THR 25 far 0 90 0 - 7.1-16.8 HA ARG 23 - HB THR 25 far 0 90 0 - 7.1-8.4 HA LEU 22 - HB THR 18 far 0 90 0 - 7.3-10.5 HA ALA 12 - HB THR 18 far 0 100 0 - 7.9-20.8 HA LYS 36 - HB THR 25 far 0 90 0 - 8.8-18.1 HA ARG 23 - HB THR 18 far 0 100 0 - 9.6-12.4 HA LYS 31 - HB THR 25 far 0 84 0 - 9.7-17.2 HA ALA 15 - HB THR 25 far 0 90 0 - 9.8-24.7 HA SER 74 - HB THR 18 far 0 99 0 - 9.9-34.6 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 7 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 - 6.5-12.0 QG2 THR 25 - HB THR 18 far 0 96 0 - 7.0-15.9 QG2 THR 18 - HB THR 25 far 0 90 0 - 7.6-15.6 QG2 VAL 77 - HB THR 18 far 0 81 0 - 9.9-30.8 QG2 VAL 77 - HB THR 25 far 0 67 0 - 10.0-18.2 Violated in 0 structures by 0.00 A. Peak 233 from aliabs.peaks (4.28, 1.17, 21.31 ppm; 2.99 A increased from 2.81 A): 4 out of 26 assignments used, quality = 1.00: * HA THR 18 + QG2 THR 18 OK 97 100 100 97 2.7-3.1 3.2=81, 3.0/6141=39...(9) HA THR 25 + QG2 THR 25 OK 80 82 100 98 2.3-3.2 3.2=81, 3.0/6242=45...(9) HA LYS 19 + QG2 THR 18 OK 79 97 100 81 2.8-2.9 3.0/6147=36, 11763=20...(12) HA LYS 26 + QG2 THR 25 OK 40 78 65 79 3.4-5.6 2.9/6248=38, ~6247=18...(13) HA LYS 19 - QG2 THR 25 far 0 81 0 - 4.1-13.8 HA ALA 21 - QG2 THR 25 far 0 76 0 - 4.2-10.8 HA ARG 23 - QG2 THR 25 far 0 86 0 - 4.3-7.3 HA LEU 22 - QG2 THR 18 far 0 90 0 - 4.4-7.9 HA ALA 16 - QG2 THR 18 far 0 100 0 - 5.3-7.9 HA THR 18 - QG2 THR 25 far 0 87 0 - 5.3-14.0 HA ALA 21 - QG2 THR 18 far 0 93 0 - 5.7-6.7 HA LEU 22 - QG2 THR 25 far 0 73 0 - 5.7-9.2 HA SER 74 - QG2 THR 25 far 0 84 0 - 6.0-18.6 HA ALA 15 - QG2 THR 18 far 0 100 0 - 6.1-10.6 HA ARG 23 - QG2 THR 18 far 0 100 0 - 6.3-9.7 HA ALA 15 - QG2 THR 25 far 0 86 0 - 7.3-20.9 HA LYS 31 - QG2 THR 25 far 0 80 0 - 7.8-13.1 HA ALA 12 - QG2 THR 18 far 0 100 0 - 8.0-18.7 HA SER 74 - QG2 THR 18 far 0 99 0 - 8.2-28.5 HA LYS 26 - QG2 THR 18 far 0 95 0 - 8.5-14.9 HA TYR 76 - QG2 THR 25 far 0 53 0 - 8.6-15.4 HA ALA 16 - QG2 THR 25 far 0 85 0 - 8.8-18.3 HA LYS 31 - QG2 THR 18 far 0 97 0 - 8.9-23.7 HA THR 25 - QG2 THR 18 far 0 98 0 - 9.0-14.4 HA LYS 36 - QG2 THR 25 far 0 86 0 - 9.4-15.4 HA PHE 87 - QG2 THR 18 far 0 97 0 - 10.0-32.4 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 5 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 18 - QG2 THR 25 far 0 87 0 - 7.0-15.9 HB THR 25 - QG2 THR 18 far 0 99 0 - 7.6-15.6 HB THR 83 - QG2 THR 18 far 0 60 0 - 8.7-32.4 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): 4 out of 23 assignments used, quality = 1.00: * HB2 LYS 19 + HA LYS 19 OK 100 100 100 100 2.3-2.4 3.0=100 HB2 LYS 31 + HA LYS 31 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 59 59 100 100 2.3-3.0 3.0=100 HB2 LYS 24 - HA LYS 19 far 5 100 5 - 4.0-13.5 HB2 LYS 31 - HA LYS 26 far 5 100 5 - 4.3-11.2 HB2 LYS 31 - HA ARG 23 far 3 63 5 - 2.6-16.6 HB2 ARG 23 - HA LYS 19 far 0 98 0 - 4.5-9.3 HB2 LYS 24 - HA ARG 23 far 0 63 0 - 4.6-6.1 HB2 LYS 26 - HA LYS 31 far 0 100 0 - 4.9-11.8 HB2 ARG 23 - HA LYS 31 far 0 98 0 - 5.8-19.1 HB2 LYS 24 - HA LYS 26 far 0 100 0 - 6.2-8.2 HB2 LYS 19 - HA ARG 23 far 0 63 0 - 6.3-11.2 HB2 LYS 31 - HA LYS 19 far 0 100 0 - 6.8-22.9 HB2 ARG 23 - HA LYS 26 far 0 97 0 - 6.9-10.2 HB2 LYS 26 - HA ARG 23 far 0 63 0 - 7.0-10.2 HB2 LYS 19 - HA LYS 31 far 0 100 0 - 7.3-26.4 HB2 LYS 26 - HA LYS 36 far 0 54 0 - 7.9-15.0 HG3 ARG 90 - HA LYS 19 far 0 99 0 - 9.2-34.8 HB2 LYS 19 - HA LYS 26 far 0 100 0 - 9.4-17.1 HB2 LYS 24 - HA LYS 31 far 0 100 0 - 9.6-19.4 HB2 LYS 26 - HA LYS 19 far 0 100 0 - 9.7-17.9 HB ILE 80 - HA LYS 19 far 0 99 0 - 9.9-34.2 Violated in 0 structures by 0.00 A. Peak 240 from aliabs.peaks (1.81, 4.27, 56.26 ppm; 3.64 A): 5 out of 29 assignments used, quality = 1.00: * HB3 LYS 19 + HA LYS 19 OK 100 100 100 100 2.5-2.7 3.0=100 HB3 LYS 31 + HA LYS 31 OK 99 99 100 100 2.5-2.6 3.0=100 HB3 LYS 26 + HA LYS 26 OK 98 98 100 100 2.3-3.0 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 2.2-2.9 3.0=100 HB3 LYS 31 - HA ARG 23 far 3 62 5 - 4.2-18.0 HB3 LYS 31 - HA LYS 26 far 0 99 0 - 4.5-12.4 HB3 LYS 26 - HA LYS 31 far 0 98 0 - 4.5-10.2 HB ILE 32 - HA LYS 26 far 0 99 0 - 4.8-10.0 HB ILE 32 - HA LYS 31 far 0 100 0 - 4.8-5.6 HB3 LYS 24 - HA ARG 23 far 0 61 0 - 5.0-6.4 HB3 ARG 23 - HA LYS 26 far 0 95 0 - 5.4-10.0 HB3 LYS 19 - HA ARG 23 far 0 63 0 - 5.5-10.2 HB3 LYS 24 - HA LYS 19 far 0 99 0 - 5.5-13.9 HB3 LYS 19 - HA LYS 31 far 0 100 0 - 5.6-24.7 HB3 LYS 31 - HA LYS 19 far 0 100 0 - 5.7-24.3 HB3 ARG 23 - HA LYS 19 far 0 97 0 - 5.8-10.6 HB ILE 32 - HA LYS 36 far 0 53 0 - 6.4-7.7 HB3 LYS 24 - HA LYS 26 far 0 98 0 - 6.7-8.2 HB3 ARG 23 - HA LYS 31 far 0 96 0 - 7.2-20.2 HB ILE 32 - HA ARG 23 far 0 63 0 - 7.3-15.8 HB2 CYS 79 - HA LYS 36 far 0 34 0 - 7.7-10.1 HB3 LYS 19 - HA LYS 26 far 0 100 0 - 7.7-15.6 HB2 LYS 36 - HA LYS 31 far 0 97 0 - 7.8-9.5 HB2 CYS 79 - HA LYS 19 far 0 76 0 - 8.0-30.8 HB3 LYS 26 - HA ARG 23 far 0 60 0 - 8.1-10.1 HB2 CYS 79 - HA ARG 23 far 0 41 0 - 8.4-22.1 HB3 LYS 26 - HA LYS 36 far 0 51 0 - 8.7-14.1 HB2 LYS 36 - HA LYS 26 far 0 96 0 - 9.4-16.2 Violated in 0 structures by 0.00 A. Peak 241 from aliabs.peaks (1.37, 4.27, 56.26 ppm; 3.57 A): 4 out of 37 assignments used, quality = 1.00: * HG2 LYS 19 + HA LYS 19 OK 99 100 100 99 3.5-3.6 4.2=63, 6151/3.0=53...(39) HG3 LYS 26 + HA LYS 26 OK 95 95 100 99 2.6-3.7 4.0=68, 6253/2.9=54...(31) HG3 LYS 31 + HA LYS 31 OK 90 91 100 98 2.2-3.7 3.8=82, 1.8/822=28...(21) HG2 LYS 36 + HA LYS 36 OK 49 50 100 99 3.1-3.3 4.1=64, 6394/3.0=49...(29) QB ALA 28 - HA LYS 26 far 14 92 15 - 3.8-7.7 HG2 LYS 24 - HA ARG 23 far 3 62 5 - 4.1-5.3 QB ALA 28 - HA ARG 23 far 3 54 5 - 3.3-13.3 HG3 LYS 31 - HA ARG 23 far 3 53 5 - 3.3-17.9 QB ALA 21 - HA LYS 19 far 0 73 0 - 4.3-5.3 HG2 LYS 24 - HA LYS 19 far 0 99 0 - 4.8-11.2 HG3 LYS 31 - HA LYS 19 far 0 92 0 - 4.8-25.5 QB ALA 29 - HA LYS 36 far 0 51 0 - 5.2-8.8 QB ALA 29 - HA LYS 31 far 0 98 0 - 5.5-6.6 QB ALA 29 - HA LYS 26 far 0 98 0 - 5.6-9.5 QB ALA 16 - HA LYS 19 far 0 81 0 - 6.1-9.7 QB ALA 12 - HA LYS 31 far 0 96 0 - 6.2-33.7 QB ALA 21 - HA ARG 23 far 0 39 0 - 6.2-6.8 QB ALA 28 - HA LYS 31 far 0 93 0 - 6.6-7.7 HG3 LYS 26 - HA LYS 31 far 0 96 0 - 6.6-12.4 HG3 LYS 31 - HA LYS 26 far 0 91 0 - 6.8-12.7 HG2 LYS 19 - HA ARG 23 far 0 63 0 - 6.8-10.5 QB ALA 15 - HA LYS 19 far 0 97 0 - 6.9-12.4 HG3 LYS 26 - HA ARG 23 far 0 58 0 - 6.9-9.9 HG2 LYS 19 - HA LYS 31 far 0 100 0 - 6.9-25.0 QB ALA 21 - HA LYS 26 far 0 72 0 - 7.4-12.0 HG3 LYS 26 - HA LYS 36 far 0 49 0 - 7.8-13.9 QB ALA 16 - HA LYS 31 far 0 80 0 - 7.9-25.4 QB ALA 29 - HA ARG 23 far 0 60 0 - 7.9-14.7 HG2 LYS 24 - HA LYS 26 far 0 99 0 - 8.0-9.2 QB ALA 21 - HA LYS 31 far 0 73 0 - 8.4-21.0 QB ALA 28 - HA LYS 19 far 0 93 0 - 8.6-20.2 QB ALA 15 - HA ARG 23 far 0 58 0 - 8.9-15.3 HG2 LYS 19 - HA LYS 26 far 0 100 0 - 8.9-15.8 QB ALA 12 - HA LYS 19 far 0 97 0 - 9.1-20.2 HG2 LYS 24 - HA LYS 31 far 0 99 0 - 9.5-19.9 QB ALA 16 - HA ARG 23 far 0 44 0 - 9.7-14.0 HG3 LYS 26 - HA LYS 19 far 0 97 0 - 9.9-17.8 Violated in 0 structures by 0.00 A. Peak 242 from aliabs.peaks (1.44, 4.27, 56.26 ppm; 4.15 A): 4 out of 26 assignments used, quality = 1.00: * HG3 LYS 19 + HA LYS 19 OK 99 100 100 99 4.2-4.2 4.2=99 HG2 LYS 26 + HA LYS 26 OK 98 98 100 100 2.9-4.2 4.0=100 HG2 LYS 31 + HA LYS 31 OK 84 84 100 100 2.2-3.7 3.8=100 HG3 LYS 36 + HA LYS 36 OK 37 37 100 100 3.4-3.5 4.1=100 HG13 ILE 32 - HA LYS 26 far 10 97 10 - 3.1-8.1 HG3 LYS 24 - HA LYS 19 far 5 97 5 - 4.3-12.8 HG2 LYS 31 - HA ARG 23 far 2 47 5 - 3.0-18.6 HG3 LYS 24 - HA ARG 23 far 0 59 0 - 4.8-6.7 HG13 ILE 32 - HA LYS 31 far 0 98 0 - 5.0-5.6 HG2 LYS 26 - HA LYS 31 far 0 99 0 - 5.1-11.8 HG3 LYS 19 - HA LYS 31 far 0 100 0 - 6.2-25.0 HG2 LYS 31 - HA LYS 19 far 0 85 0 - 6.3-23.8 QB ALA 34 - HA LYS 26 far 0 74 0 - 6.3-10.4 QB ALA 34 - HA LYS 36 far 0 34 0 - 6.3-6.4 HG2 LYS 31 - HA LYS 26 far 0 83 0 - 6.5-13.6 HG2 LYS 26 - HA ARG 23 far 0 61 0 - 6.6-11.4 HG13 ILE 32 - HA ARG 23 far 0 59 0 - 6.6-14.3 QB ALA 34 - HA ARG 23 far 0 41 0 - 7.1-14.0 HG3 LYS 19 - HA ARG 23 far 0 63 0 - 7.2-11.5 QB ALA 34 - HA LYS 19 far 0 76 0 - 7.7-21.5 HG3 LYS 19 - HA LYS 26 far 0 100 0 - 7.8-16.3 HG2 LYS 26 - HA LYS 36 far 0 52 0 - 8.1-13.8 HG3 LYS 24 - HA LYS 26 far 0 96 0 - 8.4-9.7 QB ALA 34 - HA LYS 31 far 0 75 0 - 8.5-8.9 HG13 ILE 32 - HA LYS 36 far 0 50 0 - 8.5-10.0 HG3 LYS 36 - HA LYS 31 far 0 80 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 243 from aliabs.peaks (1.65, 4.27, 56.26 ppm; 4.53 A): 8 out of 43 assignments used, quality = 1.00: * HD2 LYS 19 + HA LYS 19 OK 100 100 100 100 3.5-4.4 5.2=67, ~6151=38...(42) HD3 LYS 19 + HA LYS 19 OK 100 100 100 100 3.8-5.0 5.2=67, ~6151=38...(41) HD2 LYS 31 + HA LYS 31 OK 99 99 100 100 2.0-4.7 5.2=66, ~6332=34...(32) HD3 LYS 31 + HA LYS 31 OK 98 98 100 100 1.9-4.8 5.2=66, ~6332=34...(32) HD2 LYS 26 + HA LYS 26 OK 92 97 95 100 2.0-5.1 5.0=75, ~6253=40...(34) HD3 LYS 26 + HA LYS 26 OK 75 94 80 100 2.0-5.3 5.0=75, ~6253=40...(34) HD2 LYS 36 + HA LYS 36 OK 48 48 100 100 4.6-4.6 5.3=63, 1042/3.0=38...(29) HD3 LYS 36 + HA LYS 36 OK 39 49 80 100 4.9-5.2 5.3=63, 1031/3.0=39...(30) HD3 LYS 26 - HA LYS 31 far 10 95 10 - 4.0-10.4 HD3 LYS 24 - HA ARG 23 far 6 63 10 - 4.0-7.6 HG LEU 22 - HA LYS 19 far 6 60 10 - 4.7-8.7 HD2 LYS 24 - HA ARG 23 far 6 58 10 - 5.0-7.8 HD2 LYS 31 - HA LYS 19 far 5 100 5 - 5.1-24.1 HD3 LYS 31 - HA LYS 19 far 5 99 5 - 4.2-24.3 HD2 LYS 26 - HA LYS 31 far 5 98 5 - 5.1-10.1 HD3 LYS 31 - HA ARG 23 far 0 60 0 - 5.4-17.9 HD2 LYS 31 - HA ARG 23 far 0 62 0 - 5.5-19.1 HD2 LYS 26 - HA LYS 36 far 0 50 0 - 5.9-11.4 HD3 LYS 26 - HA LYS 36 far 0 48 0 - 6.0-12.7 HG LEU 22 - HA ARG 23 far 0 31 0 - 6.3-7.5 HD3 LYS 26 - HA ARG 23 far 0 57 0 - 6.4-12.1 HG LEU 22 - HA LYS 26 far 0 59 0 - 6.5-12.8 HD2 LYS 31 - HA LYS 26 far 0 99 0 - 6.5-14.6 HD2 LYS 24 - HA LYS 19 far 0 97 0 - 6.5-12.9 HD3 LYS 24 - HA LYS 19 far 0 100 0 - 6.6-13.2 HD3 LYS 24 - HA LYS 26 far 0 99 0 - 6.8-10.5 HD2 LYS 36 - HA LYS 31 far 0 95 0 - 7.5-8.1 HD3 LYS 31 - HA LYS 26 far 0 98 0 - 7.8-13.5 HD2 LYS 24 - HA LYS 26 far 0 95 0 - 7.8-10.9 HD2 LYS 26 - HA ARG 23 far 0 59 0 - 7.9-11.1 HD3 LYS 19 - HA LYS 31 far 0 100 0 - 8.3-27.0 HD3 LYS 19 - HA ARG 23 far 0 63 0 - 8.4-12.6 HD2 LYS 86 - HA LYS 19 far 0 99 0 - 8.6-32.1 HD2 LYS 19 - HA ARG 23 far 0 63 0 - 8.7-12.2 HD2 LYS 19 - HA LYS 31 far 0 100 0 - 8.9-27.5 HD3 LYS 36 - HA LYS 31 far 0 96 0 - 9.1-9.5 HD2 LYS 86 - HA ARG 23 far 0 62 0 - 9.1-23.7 HD3 LYS 86 - HA LYS 19 far 0 100 0 - 9.3-32.9 HD2 LYS 36 - HA ARG 23 far 0 57 0 - 9.5-19.6 HD3 LYS 26 - HA LYS 19 far 0 96 0 - 9.7-20.2 HD3 LYS 86 - HA ARG 23 far 0 63 0 - 9.9-24.8 HG LEU 22 - HA LYS 31 far 0 60 0 - 10.0-24.0 HD3 LYS 19 - HA LYS 26 far 0 100 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 244 from aliabs.peaks (1.65, 4.27, 56.26 ppm; 4.52 A): 9 out of 47 assignments used, quality = 1.00: HD2 LYS 19 + HA LYS 19 OK 100 100 100 100 3.5-4.4 5.2=67, ~6151=38...(42) * HD3 LYS 19 + HA LYS 19 OK 100 100 100 100 3.8-5.0 5.2=67, ~6151=38...(41) HD2 LYS 31 + HA LYS 31 OK 98 99 100 100 2.0-4.7 5.2=65, ~6332=34...(32) HD3 LYS 31 + HA LYS 31 OK 97 97 100 100 1.9-4.8 5.2=65, ~6332=34...(32) HD2 LYS 26 + HA LYS 26 OK 90 95 95 100 2.0-5.1 5.0=75, ~6253=39...(34) HD3 LYS 26 + HA LYS 26 OK 73 92 80 100 2.0-5.3 5.0=75, ~6253=39...(34) HD2 LYS 36 + HA LYS 36 OK 46 46 100 100 4.6-4.6 5.3=63, 1042/3.0=37...(29) HD3 LYS 36 + HA LYS 36 OK 37 47 80 100 4.9-5.2 5.3=63, 1031/3.0=37...(30) HG3 ARG 23 + HA ARG 23 OK 33 33 100 100 2.7-4.2 3.8=100 HG3 ARG 23 - HA LYS 26 poor 12 61 20 - 4.2-11.2 HD3 LYS 26 - HA LYS 31 far 9 93 10 - 4.0-10.4 HG LEU 22 - HA LYS 19 far 7 65 10 - 4.7-8.7 HD2 LYS 24 - HA ARG 23 far 6 55 10 - 5.0-7.8 HD2 LYS 31 - HA LYS 19 far 5 99 5 - 5.1-24.1 HD3 LYS 31 - HA LYS 19 far 5 97 5 - 4.2-24.3 HD2 LYS 26 - HA LYS 31 far 5 96 5 - 5.1-10.1 HD3 LYS 24 - HA ARG 23 far 3 62 5 - 4.0-7.6 HD3 LYS 31 - HA ARG 23 far 0 59 0 - 5.4-17.9 HD2 LYS 31 - HA ARG 23 far 0 61 0 - 5.5-19.1 HD2 LYS 26 - HA LYS 36 far 0 49 0 - 5.9-11.4 HD3 LYS 26 - HA LYS 36 far 0 46 0 - 6.0-12.7 HG3 ARG 23 - HA LYS 19 far 0 63 0 - 6.3-11.1 HG LEU 22 - HA ARG 23 far 0 34 0 - 6.3-7.5 HD3 LYS 26 - HA ARG 23 far 0 54 0 - 6.4-12.1 HG LEU 22 - HA LYS 26 far 0 64 0 - 6.5-12.8 HD2 LYS 31 - HA LYS 26 far 0 98 0 - 6.5-14.6 HD2 LYS 24 - HA LYS 19 far 0 95 0 - 6.5-12.9 HD3 LYS 24 - HA LYS 19 far 0 100 0 - 6.6-13.2 HG3 ARG 23 - HA LYS 31 far 0 62 0 - 6.6-20.1 HD3 LYS 24 - HA LYS 26 far 0 99 0 - 6.8-10.5 HD2 LYS 36 - HA LYS 31 far 0 93 0 - 7.5-8.1 HD3 LYS 31 - HA LYS 26 far 0 96 0 - 7.8-13.5 HD2 LYS 24 - HA LYS 26 far 0 93 0 - 7.8-10.9 HD2 LYS 26 - HA ARG 23 far 0 58 0 - 7.9-11.1 HD3 LYS 19 - HA LYS 31 far 0 100 0 - 8.3-27.0 HD3 LYS 19 - HA ARG 23 far 0 63 0 - 8.4-12.6 HD2 LYS 86 - HA LYS 19 far 0 99 0 - 8.6-32.1 HD2 LYS 19 - HA ARG 23 far 0 63 0 - 8.7-12.2 HD2 LYS 19 - HA LYS 31 far 0 100 0 - 8.9-27.5 HD3 LYS 36 - HA LYS 31 far 0 94 0 - 9.1-9.5 HD2 LYS 86 - HA ARG 23 far 0 60 0 - 9.1-23.7 HD3 LYS 86 - HA LYS 19 far 0 100 0 - 9.3-32.9 HD2 LYS 36 - HA ARG 23 far 0 54 0 - 9.5-19.6 HD3 LYS 26 - HA LYS 19 far 0 93 0 - 9.7-20.2 HD3 LYS 86 - HA ARG 23 far 0 62 0 - 9.9-24.8 HG LEU 22 - HA LYS 31 far 0 65 0 - 10.0-24.0 HD3 LYS 19 - HA LYS 26 far 0 100 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 249 from aliabs.peaks (4.27, 1.74, 32.58 ppm; 3.35 A): 3 out of 44 assignments used, quality = 1.00: * HA LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.3-2.4 3.0=100 HA LYS 31 + HB2 LYS 31 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 ARG 23 - HB2 LYS 31 far 5 99 5 - 2.6-16.6 HA ALA 21 - HB2 LYS 24 far 4 73 5 - 3.2-10.2 HA LYS 19 - HB2 LYS 24 far 0 100 0 - 4.0-13.5 HA THR 25 - HB2 LYS 24 far 0 85 0 - 4.2-5.0 HA GLN 27 - HB2 LYS 26 far 0 73 0 - 4.2-5.8 HA LEU 22 - HB2 LYS 24 far 0 99 0 - 4.2-7.1 HA ALA 28 - HB2 LYS 26 far 0 65 0 - 4.3-8.0 HA LYS 26 - HB2 LYS 31 far 0 100 0 - 4.3-11.2 HA THR 25 - HB2 LYS 26 far 0 84 0 - 4.5-5.6 HA ARG 23 - HB2 LYS 24 far 0 99 0 - 4.6-6.1 HA LYS 31 - HB2 LYS 26 far 0 100 0 - 4.9-11.8 HA SER 74 - HB2 LYS 19 far 0 89 0 - 5.6-34.6 HA THR 18 - HB2 LYS 19 far 0 97 0 - 6.0-6.2 HA LYS 26 - HB2 LYS 24 far 0 100 0 - 6.2-8.2 HA ALA 16 - HB2 LYS 19 far 0 100 0 - 6.3-10.0 HA ARG 23 - HB2 LYS 19 far 0 99 0 - 6.3-11.2 HA LEU 22 - HB2 LYS 31 far 0 99 0 - 6.8-20.4 HA LYS 19 - HB2 LYS 31 far 0 100 0 - 6.8-22.9 HA GLN 27 - HB2 LYS 31 far 0 73 0 - 6.8-10.6 HA ALA 15 - HB2 LYS 19 far 0 99 0 - 6.9-13.3 HA ARG 23 - HB2 LYS 26 far 0 99 0 - 7.0-10.2 HA THR 25 - HB2 LYS 31 far 0 84 0 - 7.1-15.0 HA THR 18 - HB2 LYS 24 far 0 97 0 - 7.3-14.1 HA LYS 31 - HB2 LYS 19 far 0 100 0 - 7.3-26.4 HA ALA 12 - HB2 LYS 19 far 0 93 0 - 7.3-22.3 HA THR 25 - HB2 LYS 19 far 0 85 0 - 7.6-17.0 HA LYS 36 - HB2 LYS 26 far 0 94 0 - 7.9-15.0 HA LEU 22 - HB2 LYS 19 far 0 99 0 - 7.9-10.4 HA ALA 21 - HB2 LYS 31 far 0 73 0 - 8.0-21.9 HA ALA 21 - HB2 LYS 19 far 0 73 0 - 8.1-8.5 HA GLN 27 - HB2 LYS 24 far 0 73 0 - 8.3-10.8 HA ALA 28 - HB2 LYS 24 far 0 65 0 - 8.4-13.7 HA ALA 28 - HB2 LYS 31 far 0 65 0 - 8.5-9.9 HA SER 74 - HB2 LYS 24 far 0 88 0 - 8.6-21.9 HA LEU 22 - HB2 LYS 26 far 0 99 0 - 8.7-13.8 HA ALA 12 - HB2 LYS 31 far 0 93 0 - 9.0-37.5 HA LYS 26 - HB2 LYS 19 far 0 100 0 - 9.4-17.1 HA LYS 31 - HB2 LYS 24 far 0 100 0 - 9.6-19.4 HA GLN 27 - HB2 LYS 19 far 0 73 0 - 9.7-21.0 HA LYS 19 - HB2 LYS 26 far 0 100 0 - 9.7-17.9 HA ALA 16 - HB2 LYS 31 far 0 99 0 - 9.8-27.0 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 28 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 26 - HB2 LYS 31 far 5 98 5 - 2.8-9.8 HB3 LYS 31 - HB2 LYS 26 far 0 99 0 - 3.3-12.5 HB3 LYS 19 - HB2 LYS 24 far 0 100 0 - 4.2-14.4 HB3 ARG 23 - HB2 LYS 31 far 0 96 0 - 5.4-19.6 HB ILE 32 - HB2 LYS 26 far 0 100 0 - 5.4-8.5 HB ILE 32 - HB2 LYS 31 far 0 100 0 - 6.0-6.4 HB3 ARG 23 - HB2 LYS 24 far 0 96 0 - 6.1-7.3 HB3 LYS 19 - HB2 LYS 31 far 0 100 0 - 6.3-22.1 HB3 ARG 23 - HB2 LYS 26 far 0 96 0 - 6.4-12.2 HB3 LYS 31 - HB2 LYS 19 far 0 100 0 - 6.5-25.3 HB3 ARG 23 - HB2 LYS 19 far 0 97 0 - 6.5-12.1 HB3 LYS 24 - HB2 LYS 19 far 0 99 0 - 6.6-15.6 HB2 CYS 79 - HB2 LYS 39 far 0 35 0 - 6.8-9.6 HB2 CYS 79 - HB2 LYS 19 far 0 76 0 - 7.0-32.6 HB3 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.9-19.1 HB3 LYS 24 - HB2 LYS 31 far 0 99 0 - 7.9-18.7 HB3 LYS 24 - HB2 LYS 26 far 0 99 0 - 8.1-9.9 HB2 LYS 36 - HB2 LYS 26 far 0 97 0 - 8.3-14.6 HB3 ARG 135 - HB2 LYS 39 far 0 50 0 - 8.3-11.2 HB3 LYS 26 - HB2 LYS 24 far 0 99 0 - 8.6-10.2 HB2 LYS 36 - HB2 LYS 31 far 0 97 0 - 9.1-11.4 HB2 CYS 79 - HB2 LYS 24 far 0 76 0 - 9.4-22.1 HB2 LYS 86 - HB2 LYS 19 far 0 95 0 - 9.5-37.3 HB3 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.7-17.7 Violated in 0 structures by 0.00 A. Peak 252 from aliabs.peaks (1.37, 1.74, 32.58 ppm; 3.49 A): 4 out of 32 assignments used, quality = 1.00: * HG2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.9-2.9 3.0=100 HG2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.5-3.0 3.0=100 HG3 LYS 31 + HB2 LYS 31 OK 91 91 100 100 2.3-3.0 3.0=100 HG3 LYS 26 - HB2 LYS 31 far 5 96 5 - 4.0-11.8 QB ALA 21 - HB2 LYS 24 far 4 73 5 - 3.8-9.4 QB ALA 28 - HB2 LYS 26 far 0 93 0 - 4.3-7.9 QB ALA 29 - HB2 LYS 26 far 0 98 0 - 4.8-8.9 HG3 LYS 31 - HB2 LYS 26 far 0 91 0 - 5.1-12.9 HB2 LEU 42 - HB2 LYS 39 far 0 55 0 - 5.3-6.0 QB ALA 15 - HB2 LYS 19 far 0 97 0 - 5.5-12.4 QB ALA 16 - HB2 LYS 19 far 0 81 0 - 5.7-9.3 QB ALA 12 - HB2 LYS 31 far 0 96 0 - 5.8-31.3 QB ALA 28 - HB2 LYS 24 far 0 93 0 - 5.9-13.1 HG3 LYS 31 - HB2 LYS 19 far 0 92 0 - 6.0-26.3 QB ALA 21 - HB2 LYS 19 far 0 73 0 - 6.1-6.5 QB ALA 28 - HB2 LYS 31 far 0 93 0 - 6.3-7.9 HG2 LYS 19 - HB2 LYS 24 far 0 100 0 - 6.4-14.3 HG2 LYS 24 - HB2 LYS 31 far 0 99 0 - 6.6-18.9 HG2 LYS 24 - HB2 LYS 19 far 0 99 0 - 6.7-13.0 QB ALA 16 - HB2 LYS 31 far 0 80 0 - 6.8-23.1 QB ALA 29 - HB2 LYS 31 far 0 98 0 - 7.0-7.5 HG3 LYS 26 - HB2 LYS 24 far 0 96 0 - 7.1-8.9 QB ALA 21 - HB2 LYS 31 far 0 73 0 - 7.1-19.2 HG2 LYS 19 - HB2 LYS 31 far 0 100 0 - 7.6-22.5 QB ALA 12 - HB2 LYS 19 far 0 97 0 - 7.7-19.6 HG3 LYS 31 - HB2 LYS 24 far 0 92 0 - 7.7-20.6 QB ALA 29 - HB2 LYS 24 far 0 99 0 - 7.9-14.1 QB ALA 21 - HB2 LYS 26 far 0 73 0 - 8.3-13.5 QB ALA 15 - HB2 LYS 24 far 0 96 0 - 9.2-18.3 HG2 LYS 24 - HB2 LYS 26 far 0 99 0 - 9.2-11.0 HG3 LYS 26 - HB2 LYS 19 far 0 97 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 253 from aliabs.peaks (1.44, 1.74, 32.58 ppm; 3.50 A): 4 out of 23 assignments used, quality = 1.00: * HG3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.7-2.8 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 2.2-2.9 3.0=100 HG2 LYS 26 - HB2 LYS 31 poor 20 99 20 - 2.4-11.6 HG2 LYS 31 - HB2 LYS 26 far 0 84 0 - 4.5-14.0 HG13 ILE 32 - HB2 LYS 26 far 0 98 0 - 4.5-7.0 HG13 ILE 32 - HB2 LYS 31 far 0 98 0 - 4.6-6.1 QB ALA 34 - HB2 LYS 26 far 0 75 0 - 5.3-9.6 HG3 LYS 24 - HB2 LYS 19 far 0 97 0 - 6.1-14.5 HG3 LYS 19 - HB2 LYS 24 far 0 100 0 - 6.3-15.3 HG3 LYS 19 - HB2 LYS 31 far 0 100 0 - 6.6-22.5 QB ALA 34 - HB2 LYS 19 far 0 76 0 - 7.0-22.9 HG2 LYS 31 - HB2 LYS 19 far 0 85 0 - 7.2-24.6 HG2 LYS 26 - HB2 LYS 24 far 0 99 0 - 7.3-9.8 HG3 LYS 24 - HB2 LYS 31 far 0 97 0 - 7.4-19.6 QB ALA 34 - HB2 LYS 24 far 0 76 0 - 7.6-13.6 QB ALA 34 - HB2 LYS 31 far 0 75 0 - 8.0-8.8 HG2 LYS 31 - HB2 LYS 24 far 0 85 0 - 8.1-20.1 HG2 LYS 86 - HB2 LYS 19 far 0 73 0 - 8.6-36.3 HG13 ILE 32 - HB2 LYS 24 far 0 98 0 - 9.1-14.3 HG3 LYS 19 - HB2 LYS 26 far 0 100 0 - 9.5-17.7 HG3 LYS 24 - HB2 LYS 26 far 0 97 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 254 from aliabs.peaks (1.65, 1.74, 32.58 ppm; 4.74 A): 10 out of 38 assignments used, quality = 1.00: * HD2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.2-3.2 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.0-3.5 3.9=100 HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.6-3.7 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.1-4.2 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 2.1-4.0 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 96 96 100 100 2.6-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 95 95 100 100 2.3-3.9 3.5=100 HG LEU 43 + HB2 LYS 39 OK 53 53 100 100 3.4-5.3 ~11901=55, ~11073=44...(23) HD2 LYS 39 + HB2 LYS 39 OK 26 26 100 100 2.6-3.7 3.6=100 HD2 LYS 26 - HB2 LYS 31 poor 20 98 20 - 3.7-10.0 HD3 LYS 26 - HB2 LYS 31 poor 19 95 20 - 2.1-9.6 HD2 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.2-25.0 HD3 LYS 31 - HB2 LYS 19 far 5 99 5 - 4.6-25.0 HG LEU 22 - HB2 LYS 24 far 3 60 5 - 4.7-9.2 HD2 LYS 31 - HB2 LYS 26 far 0 99 0 - 5.4-13.3 HD3 LYS 31 - HB2 LYS 26 far 0 98 0 - 6.1-13.8 HD2 LYS 86 - HB2 LYS 19 far 0 99 0 - 6.5-34.1 HG LEU 22 - HB2 LYS 19 far 0 60 0 - 6.8-10.9 HG LEU 22 - HB2 LYS 31 far 0 59 0 - 7.0-21.8 HD3 LYS 86 - HB2 LYS 19 far 0 100 0 - 7.1-35.0 HD2 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.3-16.3 HD3 LYS 24 - HB2 LYS 19 far 0 100 0 - 7.9-15.5 HD3 LYS 26 - HB2 LYS 24 far 0 95 0 - 7.9-11.0 HG LEU 22 - HB2 LYS 26 far 0 60 0 - 8.0-15.1 HD3 LYS 19 - HB2 LYS 31 far 0 100 0 - 8.2-24.6 HD2 LYS 24 - HB2 LYS 19 far 0 97 0 - 8.2-15.2 HD3 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.2-16.3 HD2 LYS 36 - HB2 LYS 31 far 0 95 0 - 8.4-9.8 HD3 LYS 24 - HB2 LYS 26 far 0 100 0 - 8.4-11.9 HD2 LYS 26 - HB2 LYS 24 far 0 98 0 - 8.6-11.1 HD2 LYS 24 - HB2 LYS 31 far 0 96 0 - 8.8-21.3 HD2 LYS 19 - HB2 LYS 31 far 0 100 0 - 9.2-25.0 HD3 LYS 24 - HB2 LYS 31 far 0 100 0 - 9.4-20.4 HD2 LYS 24 - HB2 LYS 26 far 0 96 0 - 9.6-12.5 HD3 LYS 36 - HB2 LYS 31 far 0 96 0 - 9.7-11.4 HD3 LYS 31 - HB2 LYS 24 far 0 99 0 - 9.9-20.2 HD2 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 255 from aliabs.peaks (1.65, 1.74, 32.58 ppm; 4.74 A): 9 out of 41 assignments used, quality = 1.00: * HD3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.0-3.5 3.9=100 HD2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.2-3.2 3.9=100 HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.6-3.7 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.1-4.2 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 2.1-4.0 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 94 94 100 100 2.6-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 93 93 100 100 2.3-3.9 3.5=100 HG LEU 43 + HB2 LYS 39 OK 54 54 100 100 3.4-5.3 ~11901=55, ~11073=44...(23) HD2 LYS 26 - HB2 LYS 31 poor 19 96 20 - 3.7-10.0 HD3 LYS 26 - HB2 LYS 31 poor 19 93 20 - 2.1-9.6 HD2 LYS 31 - HB2 LYS 19 far 5 99 5 - 5.2-25.0 HD3 LYS 31 - HB2 LYS 19 far 5 97 5 - 4.6-25.0 HG LEU 22 - HB2 LYS 24 far 3 65 5 - 4.7-9.2 HG3 ARG 23 - HB2 LYS 24 far 3 63 5 - 5.3-7.9 HG3 ARG 23 - HB2 LYS 26 far 3 62 5 - 5.1-12.8 HG3 ARG 23 - HB2 LYS 31 far 3 62 5 - 5.3-18.1 HD2 LYS 31 - HB2 LYS 26 far 0 99 0 - 5.4-13.3 HD3 LYS 31 - HB2 LYS 26 far 0 97 0 - 6.1-13.8 HD2 LYS 86 - HB2 LYS 19 far 0 99 0 - 6.5-34.1 HG LEU 22 - HB2 LYS 19 far 0 65 0 - 6.8-10.9 HG LEU 22 - HB2 LYS 31 far 0 65 0 - 7.0-21.8 HD3 LYS 86 - HB2 LYS 19 far 0 100 0 - 7.1-35.0 HG3 ARG 23 - HB2 LYS 19 far 0 63 0 - 7.2-12.4 HD2 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.3-16.3 HD3 LYS 24 - HB2 LYS 19 far 0 100 0 - 7.9-15.5 HD3 LYS 26 - HB2 LYS 24 far 0 93 0 - 7.9-11.0 HG LEU 22 - HB2 LYS 26 far 0 65 0 - 8.0-15.1 HD3 LYS 19 - HB2 LYS 31 far 0 100 0 - 8.2-24.6 HD2 LYS 24 - HB2 LYS 19 far 0 95 0 - 8.2-15.2 HD3 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.2-16.3 HD2 LYS 36 - HB2 LYS 31 far 0 93 0 - 8.4-9.8 HD3 LYS 24 - HB2 LYS 26 far 0 99 0 - 8.4-11.9 HD2 LYS 26 - HB2 LYS 24 far 0 96 0 - 8.6-11.1 HD2 LYS 24 - HB2 LYS 31 far 0 94 0 - 8.8-21.3 HD2 LYS 19 - HB2 LYS 31 far 0 100 0 - 9.2-25.0 HD3 LYS 24 - HB2 LYS 31 far 0 99 0 - 9.4-20.4 HD2 LYS 24 - HB2 LYS 26 far 0 94 0 - 9.6-12.5 HD3 LYS 36 - HB2 LYS 31 far 0 94 0 - 9.7-11.4 HD3 LYS 31 - HB2 LYS 24 far 0 97 0 - 9.9-20.2 HD2 LYS 31 - HB2 LYS 24 far 0 99 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 256 from aliabs.peaks (2.95, 1.74, 32.58 ppm; 5.82 A): 10 out of 31 assignments used, quality = 1.00: HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.5-4.5 5.1=100 * HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.9-4.6 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 3.6-5.5 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 4.2-5.5 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.4-5.5 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.0-5.1 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 3.5-5.0 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 98 98 100 100 2.2-5.4 5.1=100 HE2 LYS 39 + HB2 LYS 39 OK 29 29 100 100 2.1-4.7 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 29 29 100 100 3.6-5.2 4.9=100 HE2 LYS 26 - HB2 LYS 31 poor 20 100 20 - 4.9-11.4 HE3 LYS 31 - HB2 LYS 19 far 5 100 5 - 6.4-27.0 HE3 LYS 26 - HB2 LYS 31 lone 1 99 25 6 4.4-12.1 6337/6331=1 HE3 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.6-15.7 HE3 LYS 24 - HB2 LYS 19 far 0 98 0 - 6.8-15.7 HE2 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.8-15.8 HE2 LYS 31 - HB2 LYS 19 far 0 100 0 - 7.3-27.4 HE3 LYS 26 - HB2 LYS 24 far 0 99 0 - 7.4-9.9 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.5-17.7 HE2 LYS 24 - HB2 LYS 19 far 0 100 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.8-17.5 HE3 LYS 19 - HB2 LYS 31 far 0 100 0 - 7.9-25.8 HE3 LYS 86 - HB2 LYS 19 far 0 100 0 - 8.3-35.8 HE2 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.3-10.9 HE2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.4-21.1 HE2 LYS 19 - HB2 LYS 31 far 0 100 0 - 8.4-24.2 HE3 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.4-11.9 HE3 LYS 26 - HB2 LYS 19 far 0 99 0 - 8.5-20.9 HE2 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.8-11.9 HE2 LYS 26 - HB2 LYS 19 far 0 100 0 - 9.3-21.9 HE3 LYS 24 - HB2 LYS 31 far 0 98 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 257 from aliabs.peaks (2.95, 1.74, 32.58 ppm; 5.82 A): 10 out of 31 assignments used, quality = 1.00: * HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.5-4.5 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.9-4.6 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 3.6-5.5 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 4.2-5.5 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.4-5.5 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.0-5.1 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 3.5-5.0 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 98 98 100 100 2.2-5.4 5.1=100 HE2 LYS 39 + HB2 LYS 39 OK 29 29 100 100 2.1-4.7 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 29 29 100 100 3.6-5.2 4.9=100 HE2 LYS 26 - HB2 LYS 31 poor 20 100 20 - 4.9-11.4 HE3 LYS 31 - HB2 LYS 19 far 5 100 5 - 6.4-27.0 HE3 LYS 26 - HB2 LYS 31 lone 1 99 25 6 4.4-12.1 6337/6331=1 HE3 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.6-15.7 HE3 LYS 24 - HB2 LYS 19 far 0 98 0 - 6.8-15.7 HE2 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.8-15.8 HE2 LYS 31 - HB2 LYS 19 far 0 100 0 - 7.3-27.4 HE3 LYS 26 - HB2 LYS 24 far 0 99 0 - 7.4-9.9 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.5-17.7 HE2 LYS 24 - HB2 LYS 19 far 0 100 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.8-17.5 HE3 LYS 19 - HB2 LYS 31 far 0 100 0 - 7.9-25.8 HE3 LYS 86 - HB2 LYS 19 far 0 100 0 - 8.3-35.8 HE2 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.3-10.9 HE2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.4-21.1 HE2 LYS 19 - HB2 LYS 31 far 0 100 0 - 8.4-24.2 HE3 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.4-11.9 HE3 LYS 26 - HB2 LYS 19 far 0 99 0 - 8.5-20.9 HE2 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.8-11.9 HE2 LYS 26 - HB2 LYS 19 far 0 100 0 - 9.3-21.9 HE3 LYS 24 - HB2 LYS 31 far 0 98 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 260 from aliabs.peaks (4.27, 1.81, 32.58 ppm; 3.18 A): 4 out of 57 assignments used, quality = 1.00: * HA LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.5-2.7 3.0=100 HA LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.5-2.6 3.0=100 HA LYS 26 + HB3 LYS 26 OK 95 95 100 100 2.3-3.0 3.0=100 HA LYS 36 + HB2 LYS 36 OK 60 60 100 100 2.2-2.9 3.0=100 HA PHE 87 - HB2 LYS 86 far 12 82 15 - 3.8-5.6 HA ALA 28 - HB3 LYS 26 far 0 58 0 - 4.0-7.0 HA THR 25 - HB3 LYS 24 far 0 79 0 - 4.0-5.1 HA GLN 27 - HB3 LYS 26 far 0 66 0 - 4.1-5.2 HA ARG 23 - HB3 LYS 31 far 0 97 0 - 4.2-18.0 HA LYS 26 - HB3 LYS 31 far 0 98 0 - 4.5-12.4 HA LYS 31 - HB3 LYS 26 far 0 96 0 - 4.5-10.2 HA ALA 21 - HB3 LYS 24 far 0 68 0 - 4.9-10.5 HA ARG 23 - HB3 LYS 24 far 0 95 0 - 5.0-6.4 HA THR 25 - HB3 LYS 26 far 0 77 0 - 5.0-5.9 HA LEU 22 - HB3 LYS 24 far 0 95 0 - 5.3-7.5 HA ARG 23 - HB3 LYS 19 far 0 99 0 - 5.5-10.2 HA LYS 19 - HB3 LYS 24 far 0 97 0 - 5.5-13.9 HA LYS 31 - HB3 LYS 19 far 0 100 0 - 5.6-24.7 HA ARG 84 - HB2 LYS 86 far 0 51 0 - 5.6-6.3 HA LYS 19 - HB3 LYS 31 far 0 98 0 - 5.7-24.3 HA ALA 16 - HB3 LYS 19 far 0 100 0 - 5.7-10.7 HA SER 74 - HB3 LYS 19 far 0 89 0 - 5.9-33.4 HA THR 25 - HB3 LYS 19 far 0 85 0 - 6.3-15.9 HA ALA 12 - HB3 LYS 19 far 0 93 0 - 6.3-23.2 HA THR 18 - HB3 LYS 19 far 0 97 0 - 6.4-6.6 HA ALA 15 - HB3 LYS 19 far 0 99 0 - 6.5-13.8 HA LYS 26 - HB3 LYS 24 far 0 97 0 - 6.7-8.2 HA GLN 27 - HB3 LYS 31 far 0 70 0 - 7.1-11.4 HA ALA 21 - HB2 LYS 86 far 0 53 0 - 7.1-31.4 HA ALA 21 - HB3 LYS 19 far 0 73 0 - 7.2-8.0 HA SER 74 - HB3 LYS 24 far 0 83 0 - 7.3-23.2 HA THR 18 - HB2 LYS 86 far 0 76 0 - 7.4-35.1 HA LEU 22 - HB3 LYS 31 far 0 97 0 - 7.4-21.9 HA THR 25 - HB3 LYS 31 far 0 81 0 - 7.6-16.2 HA LEU 22 - HB3 LYS 19 far 0 99 0 - 7.6-9.6 HA LYS 26 - HB3 LYS 19 far 0 100 0 - 7.7-15.6 HA LYS 31 - HB2 LYS 36 far 0 68 0 - 7.8-9.5 HA GLN 27 - HB3 LYS 19 far 0 73 0 - 8.1-19.6 HA ARG 23 - HB3 LYS 26 far 0 93 0 - 8.1-10.1 HA LEU 22 - HB3 LYS 26 far 0 94 0 - 8.2-13.9 HA ALA 16 - HB2 LYS 86 far 0 80 0 - 8.3-40.6 HA ALA 21 - HB3 LYS 31 far 0 70 0 - 8.4-23.5 HA SER 74 - HB2 LYS 86 far 0 66 0 - 8.4-10.0 HA LYS 36 - HB3 LYS 26 far 0 87 0 - 8.7-14.1 HA THR 25 - HB2 LYS 36 far 0 51 0 - 9.0-16.2 HA ALA 28 - HB3 LYS 31 far 0 62 0 - 9.0-10.2 HA ALA 15 - HB2 LYS 86 far 0 78 0 - 9.0-41.5 HA THR 18 - HB3 LYS 24 far 0 93 0 - 9.0-14.7 HA GLN 27 - HB3 LYS 24 far 0 68 0 - 9.2-10.6 HA ALA 28 - HB3 LYS 24 far 0 60 0 - 9.3-14.5 HA ALA 12 - HB3 LYS 31 far 0 90 0 - 9.4-38.7 HA LYS 26 - HB2 LYS 36 far 0 68 0 - 9.4-16.2 HA THR 18 - HB3 LYS 31 far 0 94 0 - 9.5-26.0 HA ALA 16 - HB3 LYS 31 far 0 98 0 - 9.6-28.5 HA ALA 12 - HB2 LYS 86 far 0 71 0 - 9.6-40.8 HA PHE 87 - HB3 LYS 19 far 0 100 0 - 9.8-38.8 HA LEU 22 - HB2 LYS 86 far 0 80 0 - 9.9-28.1 Violated in 0 structures by 0.00 A. Peak 261 from aliabs.peaks (1.74, 1.81, 32.58 ppm; 2.50 A): 4 out of 28 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 far 8 78 10 - 3.0-5.2 HB2 LYS 31 - HB3 LYS 26 far 5 96 5 - 2.8-9.8 HB2 LYS 26 - HB3 LYS 31 far 0 98 0 - 3.3-12.5 HB2 ARG 23 - HB3 LYS 19 far 0 98 0 - 4.0-9.5 HB2 LYS 24 - HB3 LYS 19 far 0 100 0 - 4.2-14.4 HG3 ARG 90 - HB2 LYS 86 far 0 80 0 - 4.4-7.4 HB2 ARG 23 - HB3 LYS 31 far 0 95 0 - 5.4-20.0 HB2 LYS 31 - HB3 LYS 19 far 0 100 0 - 6.3-22.1 HB2 ARG 23 - HB3 LYS 24 far 0 93 0 - 6.3-7.9 HB2 LYS 19 - HB3 LYS 31 far 0 98 0 - 6.5-25.3 HB2 LYS 19 - HB3 LYS 24 far 0 97 0 - 6.6-15.6 HG3 ARG 90 - HB3 LYS 19 far 0 99 0 - 7.1-35.7 HB2 LYS 24 - HB3 LYS 31 far 0 98 0 - 7.9-19.1 HB2 LYS 31 - HB3 LYS 24 far 0 97 0 - 7.9-18.7 HB2 LYS 26 - HB3 LYS 24 far 0 97 0 - 8.1-9.9 HB ILE 80 - HB3 LYS 19 far 0 99 0 - 8.3-34.8 HB2 LYS 26 - HB2 LYS 36 far 0 68 0 - 8.3-14.6 HB2 LYS 24 - HB3 LYS 26 far 0 96 0 - 8.6-10.2 HB2 ARG 23 - HB3 LYS 26 far 0 92 0 - 8.8-12.3 HB3 LEU 70 - HB3 LYS 24 far 0 55 0 - 9.0-28.8 HB2 LYS 31 - HB2 LYS 36 far 0 68 0 - 9.1-11.4 HB2 ARG 23 - HB2 LYS 86 far 0 77 0 - 9.5-29.3 HB2 LYS 19 - HB2 LYS 86 far 0 82 0 - 9.5-37.3 HB2 LYS 26 - HB3 LYS 19 far 0 100 0 - 9.7-17.7 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): 5 out of 40 assignments used, quality = 1.00: * HG2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.7-2.8 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 95 95 100 100 2.4-3.0 2.9=100 HG3 LYS 26 + HB3 LYS 26 OK 90 90 100 100 2.5-3.0 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 2.7-2.9 3.0=100 QB ALA 28 - HB3 LYS 26 far 9 86 10 - 3.7-6.5 QB ALA 29 - HB3 LYS 26 far 0 93 0 - 4.0-7.6 HG3 LYS 31 - HB3 LYS 19 far 0 92 0 - 4.5-24.5 QB ALA 21 - HB2 LYS 86 far 0 53 0 - 4.9-26.9 QB ALA 29 - HB2 LYS 36 far 0 65 0 - 5.0-8.1 HG3 LYS 31 - HB3 LYS 26 far 0 84 0 - 5.1-11.5 QB ALA 15 - HB3 LYS 19 far 0 97 0 - 5.1-12.8 QB ALA 21 - HB3 LYS 24 far 0 68 0 - 5.2-9.7 HG3 LYS 26 - HB3 LYS 31 far 0 94 0 - 5.2-13.1 QB ALA 21 - HB3 LYS 19 far 0 73 0 - 5.9-6.6 HG2 LYS 24 - HB3 LYS 19 far 0 99 0 - 5.9-12.2 QB ALA 12 - HB3 LYS 31 far 0 94 0 - 6.1-32.3 QB ALA 28 - HB3 LYS 31 far 0 90 0 - 6.3-7.6 QB ALA 28 - HB3 LYS 24 far 0 88 0 - 6.4-12.7 QB ALA 16 - HB3 LYS 31 far 0 77 0 - 6.4-24.2 QB ALA 16 - HB3 LYS 19 far 0 81 0 - 6.6-10.0 QB ALA 15 - HB2 LYS 86 far 0 75 0 - 6.7-33.6 HG2 LYS 19 - HB3 LYS 31 far 0 98 0 - 6.7-24.1 QB ALA 12 - HB3 LYS 19 far 0 97 0 - 6.9-20.3 QB ALA 29 - HB3 LYS 31 far 0 96 0 - 7.0-7.7 QB ALA 21 - HB3 LYS 31 far 0 70 0 - 7.1-20.5 HG3 LYS 31 - HB2 LYS 36 far 0 57 0 - 7.5-12.4 HG3 LYS 26 - HB3 LYS 24 far 0 92 0 - 7.5-8.6 QB ALA 12 - HB2 LYS 86 far 0 75 0 - 7.7-34.0 HG2 LYS 24 - HB3 LYS 31 far 0 97 0 - 7.8-20.3 QB ALA 29 - HB3 LYS 24 far 0 94 0 - 7.8-14.9 HG3 LYS 26 - HB3 LYS 19 far 0 97 0 - 7.9-18.0 HG2 LYS 19 - HB3 LYS 24 far 0 97 0 - 8.1-14.8 QB ALA 21 - HB3 LYS 26 far 0 66 0 - 8.3-13.9 HG3 LYS 26 - HB2 LYS 36 far 0 62 0 - 8.6-13.7 HG2 LYS 19 - HB2 LYS 86 far 0 82 0 - 8.6-36.4 HG3 LYS 31 - HB3 LYS 24 far 0 86 0 - 8.9-20.1 QB ALA 16 - HB2 LYS 86 far 0 59 0 - 8.9-35.5 QB ALA 12 - HB2 LYS 36 far 0 62 0 - 9.6-35.7 QB ALA 28 - HB2 LYS 36 far 0 58 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 264 from aliabs.peaks (1.44, 1.81, 32.58 ppm; 3.57 A): 7 out of 31 assignments used, quality = 1.00: * HG3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.2-2.2 3.0=100 HG2 LYS 26 + HB3 LYS 26 OK 93 93 100 100 2.3-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.4-2.7 2.9=100 HG2 LYS 31 + HB3 LYS 31 OK 81 81 100 100 2.3-3.0 3.0=100 HG2 LYS 86 + HB2 LYS 86 OK 53 53 100 100 2.3-2.7 3.0=100 HG3 LYS 36 + HB2 LYS 36 OK 48 48 100 100 2.2-2.9 3.0=100 HG13 ILE 32 + HB3 LYS 26 OK 30 92 40 83 3.2-5.7 1.8/913=24, 2.1/929=22...(20) HG2 LYS 26 - HB3 LYS 31 far 10 97 10 - 3.5-12.8 HG2 LYS 31 - HB3 LYS 26 far 0 77 0 - 5.1-12.2 QB ALA 34 - HB2 LYS 36 far 0 44 0 - 5.4-6.8 HG13 ILE 32 - HB3 LYS 31 far 0 95 0 - 5.5-6.8 HG2 LYS 31 - HB3 LYS 19 far 0 85 0 - 5.6-22.9 HG3 LYS 24 - HB3 LYS 19 far 0 97 0 - 5.6-13.8 QB ALA 34 - HB3 LYS 26 far 0 68 0 - 6.0-8.6 HG3 LYS 19 - HB3 LYS 31 far 0 98 0 - 6.3-24.1 QB ALA 34 - HB3 LYS 19 far 0 76 0 - 6.8-21.7 QB ALA 34 - HB3 LYS 24 far 0 70 0 - 7.1-14.4 HG13 ILE 32 - HB2 LYS 36 far 0 64 0 - 7.2-9.3 HG2 LYS 26 - HB3 LYS 24 far 0 95 0 - 7.5-10.2 HG3 LYS 19 - HB2 LYS 86 far 0 82 0 - 7.6-37.3 HG3 LYS 19 - HB3 LYS 24 far 0 97 0 - 7.9-15.5 HG2 LYS 86 - HB3 LYS 19 far 0 73 0 - 8.2-35.0 HG2 LYS 26 - HB2 LYS 36 far 0 66 0 - 8.3-12.6 HG3 LYS 24 - HB3 LYS 31 far 0 94 0 - 8.8-21.0 HG2 LYS 31 - HB2 LYS 36 far 0 51 0 - 9.0-11.1 QB ALA 92 - HB2 LYS 86 far 0 78 0 - 9.0-9.9 HG2 LYS 31 - HB3 LYS 24 far 0 79 0 - 9.1-21.2 QB ALA 34 - HB3 LYS 31 far 0 72 0 - 9.3-10.0 HG2 LYS 26 - HB3 LYS 19 far 0 99 0 - 9.5-18.7 HG3 LYS 19 - HB3 LYS 26 far 0 96 0 - 9.9-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 93 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 265 from aliabs.peaks (1.65, 1.81, 32.58 ppm; 4.11 A): 12 out of 47 assignments used, quality = 1.00: * HD2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.5-4.1 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.3-4.2 3.9=100 HD2 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.0-3.8 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.1-3.7 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.1-4.1 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.0-3.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 92 92 100 100 2.5-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 89 89 100 100 2.0-3.3 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 81 81 100 100 2.5-2.9 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 80 80 100 100 3.5-3.8 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 62 62 100 100 3.0-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 61 61 100 100 2.0-3.2 3.5=100 HD3 LYS 26 - HB3 LYS 31 far 9 92 10 - 3.5-10.7 HD2 LYS 31 - HB3 LYS 19 far 5 100 5 - 3.4-23.3 HD3 LYS 31 - HB3 LYS 19 far 5 99 5 - 3.0-23.2 HD2 LYS 26 - HB3 LYS 31 far 0 95 0 - 4.7-11.2 HG LEU 22 - HB3 LYS 24 far 0 55 0 - 5.9-10.7 HD2 LYS 31 - HB3 LYS 26 far 0 95 0 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 61 0 - 6.1-12.6 QB ALA 88 - HB2 LYS 86 far 0 73 0 - 6.3-6.9 HD2 LYS 26 - HB2 LYS 36 far 0 64 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 97 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 99 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 93 0 - 6.8-12.2 HG LEU 22 - HB3 LYS 19 far 0 60 0 - 7.2-10.1 HG2 ARG 84 - HB2 LYS 86 far 0 73 0 - 7.2-8.5 HD3 LYS 86 - HB3 LYS 19 far 0 100 0 - 7.7-33.8 HG LEU 22 - HB3 LYS 31 far 0 57 0 - 7.8-23.2 HD3 LYS 19 - HB3 LYS 31 far 0 98 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 65 0 - 8.1-12.5 HG3 ARG 84 - HB2 LYS 86 far 0 76 0 - 8.2-9.7 HD2 LYS 31 - HB2 LYS 36 far 0 67 0 - 8.3-12.3 HD3 LYS 19 - HB2 LYS 86 far 0 81 0 - 8.4-38.5 HD2 LYS 19 - HB3 LYS 31 far 0 98 0 - 8.4-26.6 HG LEU 22 - HB3 LYS 26 far 0 53 0 - 8.5-15.1 HD3 LYS 26 - HB3 LYS 24 far 0 90 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 97 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 93 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 92 0 - 9.3-10.5 HD2 LYS 19 - HB2 LYS 86 far 0 82 0 - 9.3-38.4 HD3 LYS 24 - HB3 LYS 26 far 0 95 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 96 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 98 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 89 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 97 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 94 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 266 from aliabs.peaks (1.65, 1.81, 32.58 ppm; 4.10 A): 12 out of 53 assignments used, quality = 1.00: * HD3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.3-4.2 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.5-4.1 3.9=100 HD2 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.0-3.8 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.1-3.7 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 94 94 100 100 2.1-4.1 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 90 90 100 100 2.0-3.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 89 89 100 100 2.5-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 86 86 100 100 2.0-3.3 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 80 80 100 100 2.5-2.9 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 78 78 100 100 3.5-3.8 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 60 60 100 100 3.0-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 58 58 100 100 2.0-3.2 3.5=100 HD3 LYS 26 - HB3 LYS 31 far 9 90 10 - 3.5-10.7 HD2 LYS 31 - HB3 LYS 19 far 5 99 5 - 3.4-23.3 HD3 LYS 31 - HB3 LYS 19 far 5 97 5 - 3.0-23.2 HD2 LYS 26 - HB3 LYS 31 far 0 94 0 - 4.7-11.2 HG3 ARG 23 - HB3 LYS 19 far 0 63 0 - 5.6-11.1 HG LEU 22 - HB3 LYS 24 far 0 60 0 - 5.9-10.7 HD2 LYS 31 - HB3 LYS 26 far 0 93 0 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 58 0 - 6.1-12.6 HG3 ARG 23 - HB3 LYS 26 far 0 56 0 - 6.2-12.8 QB ALA 88 - HB2 LYS 86 far 0 70 0 - 6.3-6.9 HG3 ARG 23 - HB3 LYS 24 far 0 57 0 - 6.3-8.1 HD2 LYS 26 - HB2 LYS 36 far 0 62 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 95 0 - 6.8-14.4 HG3 ARG 23 - HB3 LYS 31 far 0 59 0 - 6.8-19.8 HD2 LYS 86 - HB3 LYS 19 far 0 99 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 91 0 - 6.8-12.2 HG LEU 22 - HB3 LYS 19 far 0 65 0 - 7.2-10.1 HG2 ARG 84 - HB2 LYS 86 far 0 75 0 - 7.2-8.5 HD3 LYS 86 - HB3 LYS 19 far 0 100 0 - 7.7-33.8 HG LEU 22 - HB3 LYS 31 far 0 62 0 - 7.8-23.2 HD3 LYS 19 - HB3 LYS 31 far 0 98 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 63 0 - 8.1-12.5 HG3 ARG 84 - HB2 LYS 86 far 0 78 0 - 8.2-9.7 HD2 LYS 31 - HB2 LYS 36 far 0 66 0 - 8.3-12.3 HD3 LYS 19 - HB2 LYS 86 far 0 82 0 - 8.4-38.5 HD2 LYS 19 - HB3 LYS 31 far 0 98 0 - 8.4-26.6 HG LEU 22 - HB3 LYS 26 far 0 58 0 - 8.5-15.1 HG3 ARG 23 - HB2 LYS 36 far 0 35 0 - 8.7-21.9 HD3 LYS 26 - HB3 LYS 24 far 0 88 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 97 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 92 0 - 8.8-11.0 HG3 ARG 23 - HB2 LYS 86 far 0 44 0 - 8.8-27.6 HD2 LYS 36 - HB3 LYS 31 far 0 90 0 - 9.3-10.5 HD2 LYS 19 - HB2 LYS 86 far 0 81 0 - 9.3-38.4 HD3 LYS 24 - HB3 LYS 26 far 0 95 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 93 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 97 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 86 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 97 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 91 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 267 from aliabs.peaks (2.95, 1.81, 32.58 ppm; 5.35 A): 11 out of 37 assignments used, quality = 1.00: HE3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.2-5.4 5.1=100 * HE2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.3-5.4 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.0-5.3 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.2-5.0 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.0-5.0 5.1=100 HE2 LYS 26 + HB3 LYS 26 OK 95 95 100 100 3.6-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 94 94 100 100 3.7-4.6 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.4-4.6 5.1=100 HE3 LYS 86 + HB2 LYS 86 OK 82 82 100 100 1.8-3.6 4.9=100 HE3 LYS 36 + HB2 LYS 36 OK 67 67 100 100 2.8-4.2 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 67 67 100 100 3.5-4.5 4.9=100 HE3 LYS 31 - HB3 LYS 19 far 5 100 5 - 4.9-25.2 HE2 LYS 31 - HB3 LYS 19 far 5 100 5 - 5.6-25.7 HE3 LYS 24 - HB3 LYS 19 far 5 98 5 - 5.6-14.9 HE2 LYS 26 - HB2 LYS 36 far 3 68 5 - 5.4-11.8 HE3 LYS 26 - HB3 LYS 31 far 0 97 0 - 6.0-13.3 HE2 LYS 26 - HB3 LYS 31 far 0 98 0 - 6.3-12.4 HE3 LYS 31 - HB3 LYS 26 far 0 95 0 - 6.5-14.0 HE2 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.7-14.4 HE2 LYS 31 - HB3 LYS 26 far 0 95 0 - 6.8-14.2 HE3 LYS 86 - HB3 LYS 19 far 0 100 0 - 6.9-34.7 HE3 LYS 19 - HB2 LYS 86 far 0 82 0 - 7.1-39.5 HE3 LYS 26 - HB2 LYS 36 far 0 66 0 - 7.1-12.9 HE3 LYS 26 - HB3 LYS 19 far 0 99 0 - 7.3-19.5 HE3 LYS 26 - HB3 LYS 24 far 0 95 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 68 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 100 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 98 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 98 0 - 8.2-25.8 HE2 LYS 19 - HB2 LYS 86 far 0 82 0 - 8.2-39.5 HE2 LYS 26 - HB3 LYS 24 far 0 97 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 68 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 97 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 98 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 97 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 98 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 98 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 268 from aliabs.peaks (2.95, 1.81, 32.58 ppm; 5.35 A): 11 out of 37 assignments used, quality = 1.00: * HE3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.2-5.4 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.3-5.4 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.0-5.3 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.2-5.0 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.0-5.0 5.1=100 HE2 LYS 26 + HB3 LYS 26 OK 95 95 100 100 3.6-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 94 94 100 100 3.7-4.6 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.4-4.6 5.1=100 HE3 LYS 86 + HB2 LYS 86 OK 82 82 100 100 1.8-3.6 4.9=100 HE3 LYS 36 + HB2 LYS 36 OK 67 67 100 100 2.8-4.2 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 67 67 100 100 3.5-4.5 4.9=100 HE3 LYS 31 - HB3 LYS 19 far 5 100 5 - 4.9-25.2 HE2 LYS 31 - HB3 LYS 19 far 5 100 5 - 5.6-25.7 HE3 LYS 24 - HB3 LYS 19 far 5 98 5 - 5.6-14.9 HE2 LYS 26 - HB2 LYS 36 far 3 68 5 - 5.4-11.8 HE3 LYS 26 - HB3 LYS 31 far 0 97 0 - 6.0-13.3 HE2 LYS 26 - HB3 LYS 31 far 0 98 0 - 6.3-12.4 HE3 LYS 31 - HB3 LYS 26 far 0 95 0 - 6.5-14.0 HE2 LYS 24 - HB3 LYS 19 far 0 100 0 - 6.7-14.4 HE2 LYS 31 - HB3 LYS 26 far 0 95 0 - 6.8-14.2 HE3 LYS 86 - HB3 LYS 19 far 0 100 0 - 6.9-34.7 HE3 LYS 19 - HB2 LYS 86 far 0 82 0 - 7.1-39.5 HE3 LYS 26 - HB2 LYS 36 far 0 66 0 - 7.1-12.9 HE3 LYS 26 - HB3 LYS 19 far 0 99 0 - 7.3-19.5 HE3 LYS 26 - HB3 LYS 24 far 0 95 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 68 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 100 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 98 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 98 0 - 8.2-25.8 HE2 LYS 19 - HB2 LYS 86 far 0 82 0 - 8.2-39.5 HE2 LYS 26 - HB3 LYS 24 far 0 97 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 68 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 97 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 98 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 97 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 98 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 98 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 271 from aliabs.peaks (4.27, 1.37, 24.54 ppm; 3.56 A): 6 out of 47 assignments used, quality = 1.00: * HA LYS 19 + HG2 LYS 19 OK 99 100 100 99 3.5-3.6 4.2=63, 3.0/6151=53...(39) HA LYS 26 + HG3 LYS 26 OK 88 89 100 99 2.6-3.7 4.0=68, 2.9/6253=52...(31) HA LYS 31 + HG3 LYS 31 OK 75 77 100 98 2.2-3.7 3.8=82, 822/1.8=28...(21) HA THR 25 + HG3 LYS 26 OK 62 70 100 88 3.1-4.0 11150=57, 3.6/6253=44...(10) HA LYS 36 + HG2 LYS 36 OK 43 44 100 99 3.1-3.3 4.1=64, 3.0/6394=48...(29) HA LEU 22 + HG2 LYS 24 OK 33 95 60 58 2.7-6.3 374/10703=20...(12) HA ALA 16 - HG2 LYS 19 far 5 100 5 - 3.4-8.5 HA ARG 23 - HG2 LYS 24 far 5 95 5 - 4.1-5.3 HA ARG 23 - HG3 LYS 31 far 4 74 5 - 3.3-17.9 HA ALA 21 - HG2 LYS 24 far 3 67 5 - 3.3-8.9 HA GLN 27 - HG3 LYS 26 far 0 60 0 - 4.4-6.6 HA THR 18 - HG2 LYS 19 far 0 97 0 - 4.7-5.2 HA LYS 19 - HG2 LYS 24 far 0 97 0 - 4.8-11.2 HA LYS 19 - HG3 LYS 31 far 0 77 0 - 4.8-25.5 HA ALA 28 - HG3 LYS 26 far 0 53 0 - 5.4-8.4 HA ALA 15 - HG2 LYS 19 far 0 99 0 - 5.5-11.6 HA LEU 22 - HG3 LYS 31 far 0 75 0 - 6.0-22.9 HA ALA 21 - HG3 LYS 31 far 0 49 0 - 6.0-24.0 HA ALA 21 - HG2 LYS 19 far 0 73 0 - 6.3-6.9 HA THR 25 - HG2 LYS 24 far 0 79 0 - 6.3-6.5 HA LYS 31 - HG3 LYS 26 far 0 89 0 - 6.6-12.4 HA SER 74 - HG2 LYS 19 far 0 89 0 - 6.7-33.1 HA LYS 26 - HG3 LYS 31 far 0 76 0 - 6.8-12.7 HA ARG 23 - HG2 LYS 19 far 0 99 0 - 6.8-10.5 HA ARG 23 - HG3 LYS 26 far 0 87 0 - 6.9-9.9 HA ALA 12 - HG3 LYS 31 far 0 66 0 - 6.9-38.6 HA LYS 31 - HG2 LYS 19 far 0 100 0 - 6.9-25.0 HA ALA 12 - HG2 LYS 19 far 0 93 0 - 7.0-21.6 HA LEU 22 - HG3 LYS 26 far 0 88 0 - 7.5-13.1 HA THR 18 - HG2 LYS 24 far 0 92 0 - 7.5-12.7 HA THR 18 - HG3 LYS 31 far 0 71 0 - 7.6-27.1 HA LYS 36 - HG3 LYS 26 far 0 81 0 - 7.8-13.9 HA LEU 22 - HG2 LYS 19 far 0 99 0 - 7.9-9.4 HA LYS 26 - HG2 LYS 24 far 0 96 0 - 8.0-9.2 HA GLN 27 - HG2 LYS 19 far 0 73 0 - 8.7-19.9 HA THR 25 - HG2 LYS 19 far 0 85 0 - 8.7-15.3 HA PHE 87 - HG2 LYS 19 far 0 100 0 - 8.7-38.9 HA ALA 21 - HG3 LYS 26 far 0 60 0 - 8.9-15.7 HA GLN 27 - HG3 LYS 31 far 0 49 0 - 8.9-12.5 HA LYS 26 - HG2 LYS 19 far 0 100 0 - 8.9-15.8 HA ALA 28 - HG2 LYS 24 far 0 60 0 - 9.0-15.1 HA THR 25 - HG3 LYS 31 far 0 58 0 - 9.2-16.6 HA THR 18 - HG3 LYS 26 far 0 84 0 - 9.4-18.6 HA ALA 16 - HG3 LYS 31 far 0 75 0 - 9.4-28.3 HA LYS 31 - HG2 LYS 24 far 0 97 0 - 9.5-19.9 HA LYS 19 - HG3 LYS 26 far 0 90 0 - 9.9-17.8 HA GLN 27 - HG2 LYS 24 far 0 67 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 272 from aliabs.peaks (1.74, 1.37, 24.54 ppm; 3.61 A): 4 out of 21 assignments used, quality = 1.00: * HB2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.9-2.9 3.0=100 HB2 LYS 24 + HG2 LYS 24 OK 97 97 100 100 2.3-3.0 2.9=100 HB2 LYS 26 + HG3 LYS 26 OK 89 89 100 100 2.5-3.0 3.0=100 HB2 LYS 31 + HG3 LYS 31 OK 77 77 100 100 2.3-3.0 3.0=100 HB2 LYS 31 - HG3 LYS 26 far 9 90 10 - 4.0-11.8 HB2 ARG 23 - HG3 LYS 31 far 4 72 5 - 3.4-19.1 HB2 ARG 23 - HG2 LYS 24 far 0 93 0 - 4.9-6.7 HB2 LYS 26 - HG3 LYS 31 far 0 76 0 - 5.1-12.9 HB2 ARG 23 - HG2 LYS 19 far 0 98 0 - 5.8-10.2 HB2 LYS 19 - HG3 LYS 31 far 0 77 0 - 6.0-26.3 HB2 LYS 24 - HG2 LYS 19 far 0 100 0 - 6.4-14.3 HG3 ARG 90 - HG2 LYS 19 far 0 99 0 - 6.6-35.6 HB2 LYS 31 - HG2 LYS 24 far 0 97 0 - 6.6-18.9 HB2 LYS 19 - HG2 LYS 24 far 0 97 0 - 6.7-13.0 HB2 ARG 23 - HG3 LYS 26 far 0 85 0 - 6.8-11.8 HB2 LYS 24 - HG3 LYS 26 far 0 89 0 - 7.1-8.9 HB2 LYS 31 - HG2 LYS 19 far 0 100 0 - 7.6-22.5 HB2 LYS 24 - HG3 LYS 31 far 0 77 0 - 7.7-20.6 HB2 LYS 26 - HG2 LYS 24 far 0 97 0 - 9.2-11.0 HB2 LYS 19 - HG3 LYS 26 far 0 90 0 - 9.3-19.3 HB ILE 80 - HG2 LYS 19 far 0 99 0 - 9.7-35.2 Violated in 0 structures by 0.00 A. Peak 273 from aliabs.peaks (1.81, 1.37, 24.54 ppm; 3.36 A): 5 out of 30 assignments used, quality = 1.00: * HB3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.7-2.8 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 95 95 100 100 2.4-3.0 2.9=100 HB3 LYS 26 + HG3 LYS 26 OK 86 86 100 100 2.5-3.0 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 2.7-2.9 3.0=100 HB3 LYS 19 - HG3 LYS 31 far 0 77 0 - 4.5-24.5 HB3 ARG 23 - HG2 LYS 24 far 0 91 0 - 4.5-6.6 HB3 ARG 23 - HG3 LYS 31 far 0 70 0 - 5.0-20.1 HB3 LYS 26 - HG3 LYS 31 far 0 73 0 - 5.1-11.5 HB3 LYS 31 - HG3 LYS 26 far 0 88 0 - 5.2-13.1 HB3 ARG 23 - HG3 LYS 26 far 0 83 0 - 5.2-11.9 HB ILE 32 - HG3 LYS 26 far 0 89 0 - 5.4-7.7 HB3 LYS 19 - HG2 LYS 24 far 0 97 0 - 5.9-12.2 HB ILE 32 - HG3 LYS 31 far 0 76 0 - 6.3-8.2 HB3 LYS 31 - HG2 LYS 19 far 0 100 0 - 6.7-24.1 HB3 ARG 23 - HG2 LYS 19 far 0 97 0 - 7.0-10.5 HB2 LYS 36 - HG3 LYS 31 far 0 71 0 - 7.5-12.4 HB3 LYS 24 - HG3 LYS 26 far 0 87 0 - 7.5-8.6 HB ILE 32 - HG2 LYS 36 far 0 50 0 - 7.6-8.8 HB3 LYS 31 - HG2 LYS 24 far 0 96 0 - 7.8-20.3 HB3 LYS 19 - HG3 LYS 26 far 0 90 0 - 7.9-18.0 HB3 LYS 24 - HG2 LYS 19 far 0 99 0 - 8.1-14.8 HB2 LYS 36 - HG3 LYS 26 far 0 84 0 - 8.6-13.7 HB2 LYS 86 - HG2 LYS 19 far 0 95 0 - 8.6-36.4 HB2 CYS 79 - HG2 LYS 36 far 0 32 0 - 8.7-10.3 HB3 LYS 24 - HG3 LYS 31 far 0 74 0 - 8.9-20.1 HB2 CYS 79 - HG2 LYS 19 far 0 76 0 - 9.5-31.5 HB2 CYS 79 - HG3 LYS 26 far 0 62 0 - 9.7-15.8 HB2 CYS 79 - HG2 LYS 24 far 0 70 0 - 9.7-23.7 HB VAL 93 - HG2 LYS 19 far 0 81 0 - 9.8-38.5 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 26 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 QB ALA 34 - HG3 LYS 26 far 0 62 0 - 4.6-8.5 HG2 LYS 26 - HG3 LYS 31 far 0 74 0 - 4.7-13.7 HG13 ILE 32 - HG3 LYS 26 far 0 85 0 - 4.7-7.3 HG3 LYS 19 - HG3 LYS 31 far 0 77 0 - 5.7-24.8 HG2 LYS 31 - HG3 LYS 26 far 0 70 0 - 5.9-14.2 HG2 LYS 31 - HG2 LYS 19 far 0 85 0 - 6.2-23.2 QB ALA 34 - HG2 LYS 36 far 0 32 0 - 6.3-6.8 HG13 ILE 32 - HG3 LYS 31 far 0 72 0 - 6.4-7.6 HG2 LYS 31 - HG2 LYS 24 far 0 79 0 - 7.5-21.3 HG3 LYS 24 - HG2 LYS 19 far 0 97 0 - 7.6-13.9 HG3 LYS 24 - HG3 LYS 31 far 0 71 0 - 7.7-21.4 HG3 LYS 19 - HG2 LYS 24 far 0 97 0 - 8.0-13.2 QB ALA 34 - HG3 LYS 31 far 0 51 0 - 8.0-10.4 HG3 LYS 19 - HG3 LYS 26 far 0 90 0 - 8.4-18.3 QB ALA 34 - HG2 LYS 24 far 0 70 0 - 8.5-15.1 HG3 LYS 36 - HG3 LYS 31 far 0 55 0 - 8.7-13.1 HG2 LYS 86 - HG2 LYS 19 far 0 73 0 - 8.9-35.3 QB ALA 34 - HG2 LYS 19 far 0 76 0 - 8.9-21.8 HG2 LYS 26 - HG2 LYS 24 far 0 95 0 - 9.0-11.7 HG3 LYS 24 - HG3 LYS 26 far 0 84 0 - 9.1-10.6 HG13 ILE 32 - HG2 LYS 36 far 0 47 0 - 9.9-10.8 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 41 assignments used, quality = 1.00: * HD2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.2-2.7 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 96 96 100 100 2.4-3.0 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 2.3-3.0 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 82 82 100 100 2.6-3.0 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 2.2-3.0 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 45 45 100 100 2.2-2.3 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 44 44 100 100 2.7-2.9 3.0=100 HD3 LYS 31 - HG2 LYS 19 far 5 99 5 - 3.6-23.8 HG LEU 22 - HG2 LYS 24 far 3 55 5 - 3.2-9.2 HD3 LYS 26 - HG3 LYS 31 far 0 69 0 - 4.1-12.0 HD2 LYS 31 - HG2 LYS 19 far 0 100 0 - 4.9-23.9 HD2 LYS 26 - HG3 LYS 31 far 0 72 0 - 5.4-12.2 HD2 LYS 36 - HG3 LYS 31 far 0 69 0 - 6.6-10.5 HD3 LYS 31 - HG3 LYS 26 far 0 86 0 - 6.8-14.4 HG LEU 22 - HG3 LYS 31 far 0 39 0 - 6.9-24.4 HD2 LYS 31 - HG3 LYS 26 far 0 88 0 - 6.9-14.3 HD2 LYS 19 - HG3 LYS 31 far 0 77 0 - 7.5-27.4 HD3 LYS 24 - HG2 LYS 19 far 0 100 0 - 7.5-14.7 HD3 LYS 19 - HG3 LYS 31 far 0 76 0 - 7.7-26.9 HD2 LYS 86 - HG2 LYS 19 far 0 99 0 - 7.8-33.2 HG LEU 22 - HG2 LYS 19 far 0 60 0 - 7.8-10.8 HD3 LYS 36 - HG3 LYS 31 far 0 70 0 - 7.9-11.7 HD3 LYS 86 - HG2 LYS 19 far 0 100 0 - 8.2-34.2 HD2 LYS 24 - HG2 LYS 19 far 0 97 0 - 8.4-14.5 HD2 LYS 19 - HG2 LYS 24 far 0 97 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 44 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 47 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 89 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 94 0 - 9.0-21.0 HG LEU 22 - HG3 LYS 26 far 0 48 0 - 9.0-14.0 HD2 LYS 36 - HG3 LYS 26 far 0 82 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 90 0 - 9.3-12.6 HD2 LYS 24 - HG3 LYS 31 far 0 70 0 - 9.3-22.5 HD2 LYS 31 - HG2 LYS 24 far 0 96 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 97 0 - 9.5-14.5 HD3 LYS 24 - HG3 LYS 31 far 0 76 0 - 9.8-21.7 HD3 LYS 26 - HG2 LYS 19 far 0 96 0 - 9.8-19.7 HD2 LYS 24 - HG3 LYS 26 far 0 83 0 - 9.8-11.8 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 45 assignments used, quality = 1.00: * HD3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.2-2.7 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 96 96 100 100 2.4-3.0 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 2.3-3.0 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 79 79 100 100 2.6-3.0 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 2.2-3.0 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 44 44 100 100 2.2-2.3 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 43 43 100 100 2.7-2.9 3.0=100 HD3 LYS 31 - HG2 LYS 19 far 5 97 5 - 3.6-23.8 HG LEU 22 - HG2 LYS 24 far 3 60 5 - 3.2-9.2 HG3 ARG 23 - HG2 LYS 24 far 3 57 5 - 3.4-7.2 HD3 LYS 26 - HG3 LYS 31 far 0 66 0 - 4.1-12.0 HG3 ARG 23 - HG3 LYS 26 far 0 50 0 - 4.8-11.8 HD2 LYS 31 - HG2 LYS 19 far 0 99 0 - 4.9-23.9 HD2 LYS 26 - HG3 LYS 31 far 0 70 0 - 5.4-12.2 HG3 ARG 23 - HG3 LYS 31 far 0 41 0 - 5.6-20.5 HD2 LYS 36 - HG3 LYS 31 far 0 66 0 - 6.6-10.5 HG3 ARG 23 - HG2 LYS 19 far 0 63 0 - 6.7-10.8 HD3 LYS 31 - HG3 LYS 26 far 0 84 0 - 6.8-14.4 HG LEU 22 - HG3 LYS 31 far 0 43 0 - 6.9-24.4 HD2 LYS 31 - HG3 LYS 26 far 0 87 0 - 6.9-14.3 HD2 LYS 19 - HG3 LYS 31 far 0 76 0 - 7.5-27.4 HD3 LYS 24 - HG2 LYS 19 far 0 100 0 - 7.5-14.7 HD3 LYS 19 - HG3 LYS 31 far 0 77 0 - 7.7-26.9 HD2 LYS 86 - HG2 LYS 19 far 0 99 0 - 7.8-33.2 HG LEU 22 - HG2 LYS 19 far 0 65 0 - 7.8-10.8 HD3 LYS 36 - HG3 LYS 31 far 0 68 0 - 7.9-11.7 HD3 LYS 86 - HG2 LYS 19 far 0 100 0 - 8.2-34.2 HD2 LYS 24 - HG2 LYS 19 far 0 95 0 - 8.4-14.5 HD2 LYS 19 - HG2 LYS 24 far 0 97 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 43 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 45 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 88 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 92 0 - 9.0-21.0 HG LEU 22 - HG3 LYS 26 far 0 53 0 - 9.0-14.0 HD2 LYS 36 - HG3 LYS 26 far 0 79 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 88 0 - 9.3-12.6 HD2 LYS 24 - HG3 LYS 31 far 0 68 0 - 9.3-22.5 HD2 LYS 31 - HG2 LYS 24 far 0 95 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 97 0 - 9.5-14.5 HD3 LYS 24 - HG3 LYS 31 far 0 75 0 - 9.8-21.7 HD3 LYS 26 - HG2 LYS 19 far 0 93 0 - 9.8-19.7 HD2 LYS 24 - HG3 LYS 26 far 0 81 0 - 9.8-11.8 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 41 assignments used, quality = 1.00: HE3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.1-4.1 3.8=100 * HE2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.8-3.7 3.8=100 HE2 LYS 24 + HG2 LYS 24 OK 96 96 100 100 2.1-4.1 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.0-4.2 4.0=100 HE2 LYS 26 + HG3 LYS 26 OK 89 89 100 100 2.3-3.8 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 88 88 100 100 2.0-3.4 3.6=100 HE3 LYS 31 + HG3 LYS 31 OK 76 76 100 100 2.0-4.0 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 76 76 100 100 2.1-4.2 3.7=100 HE3 LYS 36 + HG2 LYS 36 OK 50 50 100 100 3.1-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 50 50 100 100 3.1-4.1 4.0=100 HE3 LYS 31 - HG2 LYS 19 far 5 100 5 - 4.6-26.0 HE2 LYS 26 - HG3 LYS 31 far 0 76 0 - 6.1-13.8 HE2 LYS 31 - HG2 LYS 19 far 0 100 0 - 6.1-26.2 HE3 LYS 26 - HG3 LYS 31 far 0 75 0 - 6.1-14.7 HE3 LYS 36 - HG3 LYS 31 far 0 76 0 - 6.3-11.5 HE3 LYS 24 - HG2 LYS 19 far 0 98 0 - 6.5-14.6 HE2 LYS 36 - HG3 LYS 31 far 0 76 0 - 6.5-12.0 HE3 LYS 86 - HG2 LYS 19 far 0 100 0 - 6.8-34.9 HE2 LYS 26 - HG2 LYS 36 far 0 50 0 - 7.3-12.6 HE3 LYS 19 - HG3 LYS 31 far 0 77 0 - 7.7-28.1 HE2 LYS 24 - HG2 LYS 19 far 0 100 0 - 8.0-15.1 HE2 LYS 24 - HG3 LYS 31 far 0 76 0 - 8.1-23.8 HE2 LYS 31 - HG3 LYS 26 far 0 89 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 89 0 - 8.6-15.9 HE2 LYS 19 - HG3 LYS 31 far 0 77 0 - 8.6-26.5 HE3 LYS 26 - HG2 LYS 24 far 0 95 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 19 far 0 99 0 - 8.8-19.2 HE3 LYS 26 - HG2 LYS 36 far 0 49 0 - 8.9-13.8 HE2 LYS 26 - HG2 LYS 19 far 0 100 0 - 9.0-20.5 HE2 LYS 19 - HG3 LYS 26 far 0 90 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 97 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 34 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 50 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 96 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 97 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 90 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 89 0 - 9.8-15.3 HE3 LYS 24 - HG3 LYS 31 far 0 72 0 - 9.8-23.3 HE2 LYS 26 - HG2 LYS 24 far 0 96 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 89 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 96 0 - 10.0-22.2 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 41 assignments used, quality = 1.00: * HE3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.1-4.1 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.8-3.7 3.8=100 HE2 LYS 24 + HG2 LYS 24 OK 96 96 100 100 2.1-4.1 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.0-4.2 4.0=100 HE2 LYS 26 + HG3 LYS 26 OK 89 89 100 100 2.3-3.8 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 88 88 100 100 2.0-3.4 3.6=100 HE3 LYS 31 + HG3 LYS 31 OK 76 76 100 100 2.0-4.0 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 76 76 100 100 2.1-4.2 3.7=100 HE3 LYS 36 + HG2 LYS 36 OK 50 50 100 100 3.1-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 50 50 100 100 3.1-4.1 4.0=100 HE3 LYS 31 - HG2 LYS 19 far 5 100 5 - 4.6-26.0 HE2 LYS 26 - HG3 LYS 31 far 0 76 0 - 6.1-13.8 HE2 LYS 31 - HG2 LYS 19 far 0 100 0 - 6.1-26.2 HE3 LYS 26 - HG3 LYS 31 far 0 75 0 - 6.1-14.7 HE3 LYS 36 - HG3 LYS 31 far 0 76 0 - 6.3-11.5 HE3 LYS 24 - HG2 LYS 19 far 0 98 0 - 6.5-14.6 HE2 LYS 36 - HG3 LYS 31 far 0 76 0 - 6.5-12.0 HE3 LYS 86 - HG2 LYS 19 far 0 100 0 - 6.8-34.9 HE2 LYS 26 - HG2 LYS 36 far 0 50 0 - 7.3-12.6 HE3 LYS 19 - HG3 LYS 31 far 0 77 0 - 7.7-28.1 HE2 LYS 24 - HG2 LYS 19 far 0 100 0 - 8.0-15.1 HE2 LYS 24 - HG3 LYS 31 far 0 76 0 - 8.1-23.8 HE2 LYS 31 - HG3 LYS 26 far 0 89 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 89 0 - 8.6-15.9 HE2 LYS 19 - HG3 LYS 31 far 0 77 0 - 8.6-26.5 HE3 LYS 26 - HG2 LYS 24 far 0 95 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 19 far 0 99 0 - 8.8-19.2 HE3 LYS 26 - HG2 LYS 36 far 0 49 0 - 8.9-13.8 HE2 LYS 26 - HG2 LYS 19 far 0 100 0 - 9.0-20.5 HE2 LYS 19 - HG3 LYS 26 far 0 90 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 97 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 34 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 50 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 96 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 97 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 90 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 89 0 - 9.8-15.3 HE3 LYS 24 - HG3 LYS 31 far 0 72 0 - 9.8-23.3 HE2 LYS 26 - HG2 LYS 24 far 0 96 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 89 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 96 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 282 from aliabs.peaks (4.27, 1.44, 24.54 ppm; 3.70 A): 4 out of 42 assignments used, quality = 1.00: * HA LYS 19 + HG3 LYS 19 OK 99 100 100 99 4.2-4.2 4.2=71, 3.0/6152=40...(40) HA LYS 26 + HG2 LYS 26 OK 96 97 100 100 2.9-4.2 4.0=77, 2.9/6252=58...(31) HA LYS 31 + HG2 LYS 31 OK 60 61 100 99 2.2-3.7 3.8=92, 793/1.8=25...(21) HA LEU 22 + HG3 LYS 24 OK 23 88 45 58 3.6-7.2 374/10756=15...(12) HA THR 25 - HG2 LYS 26 poor 16 79 20 - 3.4-5.7 HA ALA 16 - HG3 LYS 19 far 5 100 5 - 4.0-9.6 HA ALA 28 - HG2 LYS 26 far 3 60 5 - 4.1-9.0 HA ARG 23 - HG2 LYS 31 far 3 59 5 - 3.0-18.6 HA LYS 19 - HG3 LYS 24 far 0 90 0 - 4.3-12.8 HA ALA 15 - HG3 LYS 19 far 0 99 0 - 4.4-13.1 HA GLN 27 - HG2 LYS 26 far 0 68 0 - 4.7-6.9 HA ARG 23 - HG3 LYS 24 far 0 88 0 - 4.8-6.7 HA ALA 21 - HG3 LYS 24 far 0 60 0 - 5.0-10.5 HA SER 74 - HG3 LYS 19 far 0 89 0 - 5.1-34.0 HA LYS 31 - HG2 LYS 26 far 0 97 0 - 5.1-11.8 HA ALA 12 - HG3 LYS 19 far 0 93 0 - 5.5-22.9 HA LYS 31 - HG3 LYS 19 far 0 100 0 - 6.2-25.0 HA LYS 19 - HG2 LYS 31 far 0 61 0 - 6.3-23.8 HA THR 25 - HG3 LYS 24 far 0 71 0 - 6.4-6.9 HA THR 18 - HG3 LYS 19 far 0 97 0 - 6.4-6.9 HA LYS 26 - HG2 LYS 31 far 0 61 0 - 6.5-13.6 HA ARG 23 - HG2 LYS 26 far 0 95 0 - 6.6-11.4 HA ALA 21 - HG2 LYS 31 far 0 38 0 - 6.7-24.0 HA LEU 22 - HG2 LYS 31 far 0 59 0 - 7.0-21.4 HA ALA 12 - HG2 LYS 31 far 0 52 0 - 7.1-37.0 HA ARG 23 - HG3 LYS 19 far 0 99 0 - 7.2-11.5 HA THR 25 - HG3 LYS 19 far 0 85 0 - 7.7-16.4 HA GLN 27 - HG3 LYS 19 far 0 73 0 - 7.7-20.5 HA ALA 21 - HG3 LYS 19 far 0 73 0 - 7.8-8.4 HA LYS 26 - HG3 LYS 19 far 0 100 0 - 7.8-16.3 HA PHE 87 - HG3 LYS 19 far 0 100 0 - 8.0-39.9 HA LYS 36 - HG2 LYS 26 far 0 89 0 - 8.1-13.8 HA THR 18 - HG3 LYS 24 far 0 85 0 - 8.1-14.4 HA LYS 26 - HG3 LYS 24 far 0 90 0 - 8.4-9.7 HA THR 25 - HG2 LYS 31 far 0 45 0 - 8.5-17.3 HA THR 18 - HG2 LYS 31 far 0 56 0 - 8.8-25.6 HA LEU 22 - HG3 LYS 19 far 0 99 0 - 9.1-10.5 HA GLN 27 - HG2 LYS 31 far 0 38 0 - 9.1-13.1 HA LEU 22 - HG2 LYS 26 far 0 96 0 - 9.1-14.4 HA ALA 16 - HG2 LYS 31 far 0 60 0 - 9.2-27.3 HA ALA 28 - HG3 LYS 24 far 0 53 0 - 9.2-16.3 HA SER 74 - HG3 LYS 24 far 0 75 0 - 9.4-24.1 Violated in 0 structures by 0.00 A. Peak 283 from aliabs.peaks (1.74, 1.44, 24.54 ppm; 3.53 A): 4 out of 22 assignments used, quality = 1.00: * HB2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.7-2.8 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 2.2-2.9 3.0=100 HB2 LYS 31 - HG2 LYS 26 poor 19 97 20 - 2.4-11.6 HB2 ARG 23 - HG2 LYS 31 far 3 57 5 - 3.0-20.5 HB2 LYS 26 - HG2 LYS 31 far 0 61 0 - 4.5-14.0 HB2 ARG 23 - HG3 LYS 24 far 0 86 0 - 4.8-8.2 HG3 ARG 90 - HG3 LYS 19 far 0 99 0 - 5.3-36.6 HB2 ARG 23 - HG3 LYS 19 far 0 98 0 - 5.8-11.0 HB2 ARG 23 - HG2 LYS 26 far 0 94 0 - 6.1-13.4 HB2 LYS 19 - HG3 LYS 24 far 0 90 0 - 6.1-14.5 HB2 LYS 24 - HG3 LYS 19 far 0 100 0 - 6.3-15.3 HB2 LYS 31 - HG3 LYS 19 far 0 100 0 - 6.6-22.5 HB2 LYS 19 - HG2 LYS 31 far 0 61 0 - 7.2-24.6 HB2 LYS 24 - HG2 LYS 26 far 0 97 0 - 7.3-9.8 HB2 LYS 31 - HG3 LYS 24 far 0 90 0 - 7.4-19.6 HB2 LYS 24 - HG2 LYS 31 far 0 61 0 - 8.1-20.1 HB ILE 80 - HG3 LYS 19 far 0 99 0 - 8.2-35.9 HB2 LYS 26 - HG3 LYS 19 far 0 100 0 - 9.5-17.7 HB3 LEU 70 - HG3 LYS 24 far 0 49 0 - 10.0-29.7 HB2 LYS 26 - HG3 LYS 24 far 0 90 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 284 from aliabs.peaks (1.81, 1.44, 24.54 ppm; 3.43 A): 4 out of 28 assignments used, quality = 1.00: * HB3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-2.2 3.0=100 HB3 LYS 26 + HG2 LYS 26 OK 94 94 100 100 2.3-3.0 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 88 88 100 100 2.4-2.7 2.9=100 HB3 LYS 31 + HG2 LYS 31 OK 60 60 100 100 2.3-3.0 3.0=100 HB3 LYS 31 - HG2 LYS 26 far 10 96 10 - 3.5-12.8 HB3 ARG 23 - HG3 LYS 24 far 0 84 0 - 4.3-7.9 HB3 ARG 23 - HG2 LYS 31 far 0 55 0 - 4.5-21.6 HB3 ARG 23 - HG2 LYS 26 far 0 92 0 - 4.5-13.3 HB ILE 32 - HG2 LYS 26 far 0 96 0 - 5.1-7.5 HB3 LYS 26 - HG2 LYS 31 far 0 58 0 - 5.1-12.2 HB3 LYS 19 - HG2 LYS 31 far 0 61 0 - 5.6-22.9 HB3 LYS 19 - HG3 LYS 24 far 0 90 0 - 5.6-13.8 HB3 LYS 31 - HG3 LYS 19 far 0 100 0 - 6.3-24.1 HB ILE 32 - HG2 LYS 31 far 0 60 0 - 6.8-8.1 HB3 ARG 23 - HG3 LYS 19 far 0 97 0 - 7.1-11.4 HB3 LYS 24 - HG2 LYS 26 far 0 95 0 - 7.5-10.2 HB2 LYS 86 - HG3 LYS 19 far 0 95 0 - 7.6-37.3 HB3 LYS 24 - HG3 LYS 19 far 0 99 0 - 7.9-15.5 HB2 CYS 79 - HG3 LYS 24 far 0 63 0 - 8.1-24.5 HB2 LYS 36 - HG2 LYS 26 far 0 93 0 - 8.3-12.6 HB2 CYS 79 - HG3 LYS 19 far 0 76 0 - 8.4-32.1 HB VAL 93 - HG3 LYS 19 far 0 81 0 - 8.6-39.5 HB3 LYS 31 - HG3 LYS 24 far 0 89 0 - 8.8-21.0 HB2 LYS 36 - HG2 LYS 31 far 0 56 0 - 9.0-11.1 HB3 LYS 24 - HG2 LYS 31 far 0 59 0 - 9.1-21.2 HB2 CYS 79 - HG2 LYS 26 far 0 70 0 - 9.3-16.4 HB3 LYS 19 - HG2 LYS 26 far 0 97 0 - 9.5-18.7 HB3 LYS 26 - HG3 LYS 19 far 0 99 0 - 9.9-18.0 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 31 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 29 - HG2 LYS 26 far 5 94 5 - 3.0-8.2 QB ALA 15 - HG3 LYS 19 far 0 97 0 - 3.8-11.7 QB ALA 12 - HG2 LYS 31 far 0 55 0 - 4.3-31.0 HG3 LYS 31 - HG2 LYS 26 far 0 86 0 - 4.7-13.7 QB ALA 16 - HG3 LYS 19 far 0 81 0 - 4.9-8.8 QB ALA 28 - HG2 LYS 26 far 0 88 0 - 5.0-8.7 HG3 LYS 31 - HG3 LYS 19 far 0 92 0 - 5.7-24.8 QB ALA 21 - HG3 LYS 24 far 0 60 0 - 5.7-9.4 HG3 LYS 26 - HG2 LYS 31 far 0 55 0 - 5.9-14.2 QB ALA 21 - HG3 LYS 19 far 0 73 0 - 6.0-6.9 QB ALA 16 - HG2 LYS 31 far 0 42 0 - 6.1-23.6 HG2 LYS 19 - HG2 LYS 31 far 0 61 0 - 6.2-23.2 QB ALA 12 - HG3 LYS 19 far 0 97 0 - 6.3-19.8 QB ALA 28 - HG3 LYS 24 far 0 80 0 - 6.3-14.2 QB ALA 21 - HG2 LYS 31 far 0 38 0 - 6.5-20.2 HG2 LYS 24 - HG2 LYS 31 far 0 59 0 - 7.5-21.3 HG2 LYS 19 - HG3 LYS 24 far 0 90 0 - 7.6-13.9 HG3 LYS 31 - HG3 LYS 24 far 0 78 0 - 7.7-21.4 QB ALA 29 - HG2 LYS 31 far 0 58 0 - 7.9-9.1 QB ALA 21 - HG2 LYS 26 far 0 68 0 - 7.9-14.8 HG2 LYS 24 - HG3 LYS 19 far 0 99 0 - 8.0-13.2 QB ALA 28 - HG2 LYS 31 far 0 52 0 - 8.2-9.6 HG3 LYS 26 - HG3 LYS 19 far 0 97 0 - 8.4-18.3 HG2 LYS 24 - HG2 LYS 26 far 0 96 0 - 9.0-11.7 HG3 LYS 26 - HG3 LYS 24 far 0 84 0 - 9.1-10.6 QB ALA 15 - HG2 LYS 26 far 0 92 0 - 9.1-21.9 QB ALA 29 - HG3 LYS 24 far 0 87 0 - 9.9-16.2 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 35 assignments used, quality = 1.00: * HD2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.9-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-2.8 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 2.2-3.0 2.9=100 HD3 LYS 24 + HG3 LYS 24 OK 90 90 100 100 2.3-3.0 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 2.4-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 58 58 100 100 2.2-3.0 2.9=100 HD3 LYS 31 - HG3 LYS 19 far 5 99 5 - 3.5-23.9 HD3 LYS 26 - HG2 LYS 31 far 0 54 0 - 4.0-11.7 HD2 LYS 31 - HG3 LYS 19 far 0 100 0 - 4.2-23.7 HG LEU 22 - HG3 LYS 24 far 0 49 0 - 4.3-10.2 HD3 LYS 31 - HG2 LYS 26 far 0 94 0 - 5.1-14.0 HD2 LYS 31 - HG2 LYS 26 far 0 96 0 - 5.2-13.9 HD2 LYS 26 - HG2 LYS 31 far 0 57 0 - 5.7-12.1 HD2 LYS 86 - HG3 LYS 19 far 0 99 0 - 6.6-34.0 HD3 LYS 86 - HG3 LYS 19 far 0 100 0 - 7.2-35.0 HD3 LYS 24 - HG3 LYS 19 far 0 100 0 - 7.6-15.9 HD2 LYS 19 - HG3 LYS 24 far 0 90 0 - 8.0-16.0 HD2 LYS 36 - HG2 LYS 31 far 0 54 0 - 8.0-10.5 HG LEU 22 - HG2 LYS 31 far 0 30 0 - 8.1-23.4 HD3 LYS 24 - HG2 LYS 26 far 0 97 0 - 8.3-12.6 HD2 LYS 24 - HG3 LYS 19 far 0 97 0 - 8.4-15.6 HD3 LYS 19 - HG2 LYS 31 far 0 61 0 - 8.5-25.2 HD2 LYS 19 - HG2 LYS 31 far 0 61 0 - 8.5-25.7 HG LEU 22 - HG3 LYS 19 far 0 60 0 - 8.9-11.7 HD3 LYS 26 - HG3 LYS 19 far 0 96 0 - 9.0-20.4 HD3 LYS 36 - HG2 LYS 31 far 0 55 0 - 9.2-11.8 HD2 LYS 36 - HG2 LYS 26 far 0 90 0 - 9.2-12.8 HD3 LYS 19 - HG3 LYS 24 far 0 90 0 - 9.2-16.2 HD2 LYS 24 - HG2 LYS 26 far 0 92 0 - 9.4-13.2 HD2 LYS 26 - HG3 LYS 19 far 0 98 0 - 9.5-19.8 HD2 LYS 86 - HG3 LYS 24 far 0 88 0 - 9.7-25.0 HD3 LYS 31 - HG3 LYS 24 far 0 87 0 - 9.8-22.2 HD2 LYS 24 - HG2 LYS 31 far 0 55 0 - 10.0-23.6 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 39 assignments used, quality = 1.00: * HD3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-2.8 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.9-3.0 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 2.3-3.0 3.0=100 HD3 LYS 26 + HG2 LYS 26 OK 88 88 100 100 2.2-3.0 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 2.4-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 56 56 100 100 2.2-3.0 2.9=100 HD3 LYS 31 - HG3 LYS 19 far 5 97 5 - 3.5-23.9 HD3 LYS 26 - HG2 LYS 31 far 0 52 0 - 4.0-11.7 HD2 LYS 31 - HG3 LYS 19 far 0 99 0 - 4.2-23.7 HG LEU 22 - HG3 LYS 24 far 0 53 0 - 4.3-10.2 HG3 ARG 23 - HG3 LYS 24 far 0 51 0 - 4.4-8.6 HG3 ARG 23 - HG2 LYS 31 far 0 31 0 - 4.4-20.0 HG3 ARG 23 - HG2 LYS 26 far 0 58 0 - 4.6-13.4 HD3 LYS 31 - HG2 LYS 26 far 0 93 0 - 5.1-14.0 HD2 LYS 31 - HG2 LYS 26 far 0 95 0 - 5.2-13.9 HD2 LYS 26 - HG2 LYS 31 far 0 55 0 - 5.7-12.1 HD2 LYS 86 - HG3 LYS 19 far 0 99 0 - 6.6-34.0 HG3 ARG 23 - HG3 LYS 19 far 0 63 0 - 6.8-11.4 HD3 LYS 86 - HG3 LYS 19 far 0 100 0 - 7.2-35.0 HD3 LYS 24 - HG3 LYS 19 far 0 100 0 - 7.6-15.9 HD2 LYS 19 - HG3 LYS 24 far 0 90 0 - 8.0-16.0 HD2 LYS 36 - HG2 LYS 31 far 0 52 0 - 8.0-10.5 HG LEU 22 - HG2 LYS 31 far 0 33 0 - 8.1-23.4 HD3 LYS 24 - HG2 LYS 26 far 0 96 0 - 8.3-12.6 HD2 LYS 24 - HG3 LYS 19 far 0 95 0 - 8.4-15.6 HD3 LYS 19 - HG2 LYS 31 far 0 61 0 - 8.5-25.2 HD2 LYS 19 - HG2 LYS 31 far 0 61 0 - 8.5-25.7 HG LEU 22 - HG3 LYS 19 far 0 65 0 - 8.9-11.7 HD3 LYS 26 - HG3 LYS 19 far 0 93 0 - 9.0-20.4 HD3 LYS 36 - HG2 LYS 31 far 0 53 0 - 9.2-11.8 HD2 LYS 36 - HG2 LYS 26 far 0 88 0 - 9.2-12.8 HD3 LYS 19 - HG3 LYS 24 far 0 90 0 - 9.2-16.2 HD2 LYS 24 - HG2 LYS 26 far 0 89 0 - 9.4-13.2 HD2 LYS 26 - HG3 LYS 19 far 0 97 0 - 9.5-19.8 HD2 LYS 86 - HG3 LYS 24 far 0 87 0 - 9.7-25.0 HD3 LYS 31 - HG3 LYS 24 far 0 85 0 - 9.8-22.2 HD2 LYS 24 - HG2 LYS 31 far 0 53 0 - 10.0-23.6 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 30 assignments used, quality = 1.00: * HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.1-3.9 3.8=100 HE3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-3.7 3.8=100 HE2 LYS 26 + HG2 LYS 26 OK 97 97 100 100 2.7-4.1 3.6=100 HE3 LYS 26 + HG2 LYS 26 OK 96 96 100 100 2.2-3.8 3.6=100 HE2 LYS 24 + HG3 LYS 24 OK 90 90 100 100 2.3-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 86 86 100 100 2.3-3.9 4.0=100 HE3 LYS 31 + HG2 LYS 31 OK 61 61 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG2 LYS 31 OK 61 61 100 100 2.1-4.0 3.7=100 HE3 LYS 31 - HG3 LYS 19 far 5 100 5 - 4.4-25.7 HE2 LYS 31 - HG3 LYS 19 far 0 100 0 - 5.6-26.1 HE3 LYS 86 - HG3 LYS 19 far 0 100 0 - 5.8-35.8 HE3 LYS 26 - HG2 LYS 31 far 0 59 0 - 5.9-14.3 HE2 LYS 26 - HG2 LYS 31 far 0 61 0 - 6.5-13.4 HE2 LYS 31 - HG2 LYS 26 far 0 97 0 - 6.6-15.6 HE3 LYS 31 - HG2 LYS 26 far 0 97 0 - 7.0-15.5 HE3 LYS 24 - HG3 LYS 19 far 0 98 0 - 7.0-15.8 HE3 LYS 26 - HG3 LYS 19 far 0 99 0 - 7.3-20.0 HE3 LYS 36 - HG2 LYS 31 far 0 60 0 - 7.4-12.4 HE2 LYS 26 - HG3 LYS 19 far 0 100 0 - 7.6-21.0 HE3 LYS 19 - HG2 LYS 31 far 0 61 0 - 7.7-26.4 HE2 LYS 36 - HG2 LYS 31 far 0 60 0 - 8.0-11.8 HE2 LYS 19 - HG2 LYS 31 far 0 61 0 - 8.4-24.8 HE2 LYS 24 - HG3 LYS 19 far 0 100 0 - 8.4-15.9 HE3 LYS 19 - HG3 LYS 24 far 0 90 0 - 8.6-17.0 HE2 LYS 24 - HG2 LYS 31 far 0 61 0 - 9.0-23.6 HE2 LYS 19 - HG3 LYS 24 far 0 90 0 - 9.3-16.7 HE3 LYS 26 - HG3 LYS 24 far 0 88 0 - 9.3-11.4 HE2 LYS 26 - HG3 LYS 24 far 0 90 0 - 9.7-13.1 HE3 LYS 86 - HG3 LYS 24 far 0 90 0 - 9.8-26.1 HE3 LYS 36 - HG2 LYS 26 far 0 96 0 - 9.8-14.5 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 30 assignments used, quality = 1.00: HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.1-3.9 3.8=100 * HE3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-3.7 3.8=100 HE2 LYS 26 + HG2 LYS 26 OK 97 97 100 100 2.7-4.1 3.6=100 HE3 LYS 26 + HG2 LYS 26 OK 96 96 100 100 2.2-3.8 3.6=100 HE2 LYS 24 + HG3 LYS 24 OK 90 90 100 100 2.3-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 86 86 100 100 2.3-3.9 4.0=100 HE3 LYS 31 + HG2 LYS 31 OK 61 61 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG2 LYS 31 OK 61 61 100 100 2.1-4.0 3.7=100 HE3 LYS 31 - HG3 LYS 19 far 5 100 5 - 4.4-25.7 HE2 LYS 31 - HG3 LYS 19 far 0 100 0 - 5.6-26.1 HE3 LYS 86 - HG3 LYS 19 far 0 100 0 - 5.8-35.8 HE3 LYS 26 - HG2 LYS 31 far 0 59 0 - 5.9-14.3 HE2 LYS 26 - HG2 LYS 31 far 0 61 0 - 6.5-13.4 HE2 LYS 31 - HG2 LYS 26 far 0 97 0 - 6.6-15.6 HE3 LYS 31 - HG2 LYS 26 far 0 97 0 - 7.0-15.5 HE3 LYS 24 - HG3 LYS 19 far 0 98 0 - 7.0-15.8 HE3 LYS 26 - HG3 LYS 19 far 0 99 0 - 7.3-20.0 HE3 LYS 36 - HG2 LYS 31 far 0 60 0 - 7.4-12.4 HE2 LYS 26 - HG3 LYS 19 far 0 100 0 - 7.6-21.0 HE3 LYS 19 - HG2 LYS 31 far 0 61 0 - 7.7-26.4 HE2 LYS 36 - HG2 LYS 31 far 0 60 0 - 8.0-11.8 HE2 LYS 19 - HG2 LYS 31 far 0 61 0 - 8.4-24.8 HE2 LYS 24 - HG3 LYS 19 far 0 100 0 - 8.4-15.9 HE3 LYS 19 - HG3 LYS 24 far 0 90 0 - 8.6-17.0 HE2 LYS 24 - HG2 LYS 31 far 0 61 0 - 9.0-23.6 HE2 LYS 19 - HG3 LYS 24 far 0 90 0 - 9.3-16.7 HE3 LYS 26 - HG3 LYS 24 far 0 88 0 - 9.3-11.4 HE2 LYS 26 - HG3 LYS 24 far 0 90 0 - 9.7-13.1 HE3 LYS 86 - HG3 LYS 24 far 0 90 0 - 9.8-26.1 HE3 LYS 36 - HG2 LYS 26 far 0 96 0 - 9.8-14.5 Violated in 0 structures by 0.00 A. Peak 293 from aliabs.peaks (4.27, 1.65, 28.66 ppm; 4.09 A increased from 3.63 A): 7 out of 91 assignments used, quality = 1.00: * HA LYS 19 + HD2 LYS 19 OK 99 100 100 99 3.5-4.4 5.2=50, ~6151=29...(42) HA LYS 31 + HD2 LYS 31 OK 78 84 95 98 2.0-4.7 5.2=48, 822/2.9=28...(32) HA LYS 36 + HD2 LYS 36 OK 75 76 100 99 4.6-4.6 5.3=47, 3.0/1031=30...(29) HA LYS 31 + HD3 LYS 31 OK 66 79 85 98 1.9-4.8 5.2=48, 822/2.9=28...(32) HA LYS 19 + HD3 LYS 19 OK 59 100 60 98 3.8-5.0 5.2=50, ~6151=29...(41) HA LYS 26 + HD3 LYS 26 OK 51 69 75 99 2.0-5.3 5.0=56, ~6253=31...(34) HA LYS 26 + HD2 LYS 26 OK 34 77 45 99 2.0-5.1 5.0=56, ~6253=31...(34) HA LEU 22 - HD3 LYS 24 poor 20 98 20 - 3.7-8.5 HA GLN 27 - HD3 LYS 26 poor 15 44 35 - 3.1-7.9 HA ALA 16 - HD2 LYS 19 far 15 100 15 - 4.1-8.2 HA LEU 22 - HD2 LYS 24 poor 13 86 30 49 3.2-9.0 ~1309=10, 11967/3.0=8...(11) HA GLN 27 - HD2 LYS 26 far 7 49 15 - 3.5-7.5 HA LYS 31 - HD3 LYS 26 far 7 70 10 - 4.0-10.4 HA ALA 28 - HD3 LYS 26 far 6 38 15 - 3.9-9.2 HA ARG 23 - HD3 LYS 24 far 5 97 5 - 4.0-7.6 HA SER 74 - HD3 LYS 19 far 4 88 5 - 4.6-35.1 HA ALA 28 - HD2 LYS 26 far 4 43 10 - 4.2-7.8 HA LYS 19 - HD3 LYS 31 far 4 79 5 - 4.2-24.3 HA ALA 16 - HD3 LYS 19 far 0 99 0 - 4.7-9.2 HA LYS 36 - HD3 LYS 36 far 0 79 0 - 4.9-5.2 HA THR 25 - HD2 LYS 26 far 0 59 0 - 4.9-6.7 HA THR 18 - HD2 LYS 19 far 0 97 0 - 5.0-5.5 HA ALA 21 - HD3 LYS 24 far 0 71 0 - 5.0-11.3 HA ARG 23 - HD2 LYS 24 far 0 85 0 - 5.0-7.8 HA LYS 19 - HD2 LYS 31 far 0 84 0 - 5.1-24.1 HA LYS 31 - HD2 LYS 26 far 0 77 0 - 5.1-10.1 HA THR 25 - HD3 LYS 26 far 0 53 0 - 5.2-6.8 HA ALA 21 - HD2 LYS 24 far 0 58 0 - 5.2-10.9 HA ARG 23 - HD3 LYS 31 far 0 77 0 - 5.4-17.9 HA ARG 23 - HD2 LYS 31 far 0 82 0 - 5.5-19.1 HA THR 18 - HD3 LYS 19 far 0 97 0 - 5.6-7.0 HA ALA 15 - HD2 LYS 19 far 0 99 0 - 5.7-11.6 HA THR 25 - HD3 LYS 24 far 0 82 0 - 5.8-7.0 HA LYS 36 - HD2 LYS 26 far 0 68 0 - 5.9-11.4 HA LYS 36 - HD3 LYS 26 far 0 61 0 - 6.0-12.7 HA ALA 15 - HD3 LYS 19 far 0 98 0 - 6.2-11.9 HA SER 74 - HD2 LYS 19 far 0 89 0 - 6.2-35.4 HA ARG 23 - HD3 LYS 26 far 0 67 0 - 6.4-12.1 HA THR 25 - HD2 LYS 24 far 0 69 0 - 6.5-8.0 HA LYS 26 - HD2 LYS 31 far 0 84 0 - 6.5-14.6 HA ALA 12 - HD3 LYS 19 far 0 93 0 - 6.5-20.5 HA LYS 19 - HD2 LYS 24 far 0 88 0 - 6.5-12.9 HA ALA 21 - HD3 LYS 31 far 0 51 0 - 6.6-23.8 HA LYS 19 - HD3 LYS 24 far 0 99 0 - 6.6-13.2 HA LYS 26 - HD3 LYS 24 far 0 99 0 - 6.8-10.5 HA ALA 12 - HD2 LYS 95 far 0 64 0 - 6.9-40.4 HA ALA 16 - HD3 LYS 31 far 0 78 0 - 7.0-28.5 HA ALA 12 - HD3 LYS 95 far 0 57 0 - 7.1-39.3 HA THR 18 - HD3 LYS 31 far 0 74 0 - 7.1-26.4 HA ALA 16 - HD2 LYS 31 far 0 83 0 - 7.3-28.5 HA LYS 31 - HD2 LYS 36 far 0 85 0 - 7.5-8.1 HA ALA 12 - HD2 LYS 19 far 0 93 0 - 7.6-20.3 HA SER 74 - HD3 LYS 24 far 0 86 0 - 7.6-23.3 HA ALA 21 - HD3 LYS 19 far 0 73 0 - 7.7-9.8 HA ALA 12 - HD2 LYS 31 far 0 74 0 - 7.7-38.2 HA LEU 22 - HD3 LYS 31 far 0 78 0 - 7.8-22.1 HA LYS 26 - HD3 LYS 31 far 0 79 0 - 7.8-13.5 HA LYS 26 - HD2 LYS 24 far 0 87 0 - 7.8-10.9 HA ALA 21 - HD2 LYS 19 far 0 73 0 - 7.8-8.6 HA ARG 23 - HD2 LYS 26 far 0 75 0 - 7.9-11.1 HA ALA 21 - HD2 LYS 31 far 0 55 0 - 8.2-24.8 HA LYS 31 - HD3 LYS 19 far 0 100 0 - 8.3-27.0 HA LEU 22 - HD2 LYS 26 far 0 75 0 - 8.4-15.7 HA SER 74 - HD2 LYS 24 far 0 72 0 - 8.4-24.9 HA ARG 23 - HD3 LYS 19 far 0 99 0 - 8.4-12.6 HA ALA 12 - HD3 LYS 31 far 0 69 0 - 8.4-38.1 HA LEU 22 - HD3 LYS 26 far 0 68 0 - 8.5-15.5 HA LEU 22 - HD2 LYS 19 far 0 99 0 - 8.6-11.0 HA LEU 22 - HD2 LYS 31 far 0 82 0 - 8.6-22.9 HA ARG 23 - HD2 LYS 19 far 0 99 0 - 8.7-12.2 HA THR 18 - HD2 LYS 24 far 0 83 0 - 8.7-12.7 HA THR 18 - HD2 LYS 31 far 0 79 0 - 8.7-26.2 HA THR 25 - HD3 LYS 31 far 0 61 0 - 8.7-17.7 HA SER 124 - HD3 LYS 95 far 0 35 0 - 8.8-12.3 HA SER 124 - HD2 LYS 95 far 0 39 0 - 8.8-12.6 HA LYS 31 - HD2 LYS 19 far 0 100 0 - 8.9-27.5 HA LYS 31 - HD3 LYS 36 far 0 88 0 - 9.1-9.5 HA THR 18 - HD3 LYS 24 far 0 95 0 - 9.1-13.3 HA THR 25 - HD2 LYS 31 far 0 65 0 - 9.2-17.6 HA ALA 15 - HD3 LYS 31 far 0 76 0 - 9.4-29.3 HA GLN 27 - HD3 LYS 31 far 0 51 0 - 9.4-13.4 HA GLN 27 - HD2 LYS 31 far 0 55 0 - 9.5-14.5 HA LEU 22 - HD3 LYS 19 far 0 99 0 - 9.5-12.1 HA ARG 23 - HD2 LYS 36 far 0 82 0 - 9.5-19.6 HA GLN 27 - HD3 LYS 24 far 0 71 0 - 9.6-12.5 HA THR 25 - HD2 LYS 19 far 0 85 0 - 9.6-17.8 HA LYS 19 - HD3 LYS 26 far 0 70 0 - 9.7-20.2 HA PHE 87 - HD3 LYS 95 far 0 66 0 - 9.7-12.5 HA PHE 87 - HD3 LYS 19 far 0 100 0 - 9.9-41.0 HA PHE 87 - HD2 LYS 19 far 0 100 0 - 10.0-40.9 HA LYS 26 - HD3 LYS 19 far 0 100 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 294 from aliabs.peaks (1.74, 1.65, 28.66 ppm; 4.74 A): 8 out of 48 assignments used, quality = 1.00: * HB2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-3.2 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.0-3.5 3.9=100 HB2 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.6-3.7 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 88 88 100 100 2.6-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 84 84 100 100 2.1-4.2 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 2.1-4.0 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 70 70 100 100 2.3-3.9 3.5=100 HB2 LYS 31 - HD2 LYS 26 poor 15 77 20 - 3.7-10.0 HB2 LYS 31 - HD3 LYS 26 poor 14 70 20 - 2.1-9.6 HB2 LYS 19 - HD2 LYS 31 far 4 84 5 - 5.2-25.0 HB2 LYS 19 - HD3 LYS 31 far 4 79 5 - 4.6-25.0 HB2 ARG 23 - HD3 LYS 31 far 4 75 5 - 4.8-19.6 HB2 LYS 26 - HD2 LYS 31 far 0 84 0 - 5.4-13.3 HG3 ARG 90 - HD3 LYS 19 far 0 99 0 - 5.6-37.6 HB2 ARG 23 - HD3 LYS 24 far 0 96 0 - 5.6-9.0 HB2 ARG 23 - HD2 LYS 31 far 0 80 0 - 5.7-20.8 HB2 ARG 23 - HD2 LYS 24 far 0 84 0 - 6.0-9.1 HB2 LYS 26 - HD3 LYS 31 far 0 79 0 - 6.1-13.8 HG3 ARG 90 - HD2 LYS 19 far 0 99 0 - 6.5-37.7 HG13 ILE 129 - HD3 LYS 95 far 0 66 0 - 7.1-11.4 HB2 ARG 23 - HD3 LYS 19 far 0 98 0 - 7.3-12.6 HB2 LYS 24 - HD2 LYS 19 far 0 100 0 - 7.3-16.3 HG13 ILE 129 - HD2 LYS 95 far 0 74 0 - 7.3-11.5 HB2 ARG 23 - HD2 LYS 19 far 0 98 0 - 7.5-11.9 HB2 ARG 23 - HD3 LYS 26 far 0 66 0 - 7.5-14.0 HB ILE 80 - HD3 LYS 19 far 0 98 0 - 7.8-37.4 HB2 ARG 23 - HD2 LYS 26 far 0 73 0 - 7.8-13.1 HB2 LYS 19 - HD3 LYS 24 far 0 99 0 - 7.9-15.5 HB2 LYS 24 - HD3 LYS 26 far 0 70 0 - 7.9-11.0 HB2 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.2-24.6 HB2 LYS 19 - HD2 LYS 24 far 0 88 0 - 8.2-15.2 HB2 LYS 24 - HD3 LYS 19 far 0 100 0 - 8.2-16.3 HB2 LYS 31 - HD2 LYS 36 far 0 85 0 - 8.4-9.8 HB2 LYS 26 - HD3 LYS 24 far 0 99 0 - 8.4-11.9 HG3 ARG 90 - HD3 LYS 95 far 0 65 0 - 8.5-12.5 HB2 LYS 24 - HD2 LYS 26 far 0 77 0 - 8.6-11.1 HB2 LYS 31 - HD2 LYS 24 far 0 88 0 - 8.8-21.3 HG3 ARG 90 - HD2 LYS 95 far 0 72 0 - 9.2-11.8 HB ILE 80 - HD2 LYS 19 far 0 99 0 - 9.2-37.4 HB2 LYS 31 - HD2 LYS 19 far 0 100 0 - 9.2-25.0 HB2 LYS 31 - HD3 LYS 24 far 0 99 0 - 9.4-20.4 HB2 ARG 23 - HD2 LYS 36 far 0 81 0 - 9.5-21.1 HB2 LYS 26 - HD2 LYS 24 far 0 88 0 - 9.6-12.5 HB2 LYS 31 - HD3 LYS 36 far 0 88 0 - 9.7-11.4 HG3 ARG 90 - HD3 LYS 24 far 0 98 0 - 9.8-25.6 HB2 LYS 24 - HD3 LYS 31 far 0 79 0 - 9.9-20.2 HB2 LYS 24 - HD2 LYS 31 far 0 84 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 295 from aliabs.peaks (1.81, 1.65, 28.66 ppm; 3.44 A): 10 out of 64 assignments used, quality = 1.00: HB3 LYS 24 + HD3 LYS 24 OK 97 97 100 100 2.1-3.7 3.5=93, 482/5.4=25...(38) * HB3 LYS 19 + HD2 LYS 19 OK 93 100 95 98 3.5-4.1 3.9=67, 6150/6.2=11...(79) HB3 LYS 31 + HD2 LYS 31 OK 83 83 100 100 2.0-3.8 3.5=96, 6332/6.2=17...(71) HB2 LYS 36 + HD3 LYS 36 OK 82 83 100 100 3.0-4.0 3.5=94, 1.8/1042=32...(84) HB3 LYS 24 + HD2 LYS 24 OK 81 85 95 100 2.5-4.2 3.5=93, 482/5.4=25...(38) HB2 LYS 36 + HD2 LYS 36 OK 80 80 100 100 2.0-3.2 3.5=94, 1.8/1031=31...(73) HB3 LYS 31 + HD3 LYS 31 OK 74 78 95 100 2.1-4.1 3.5=96, 6332/6.2=17...(71) HB3 LYS 26 + HD2 LYS 26 OK 74 74 100 100 2.0-3.2 3.5=94, 6251/5.7=20...(80) HB3 LYS 26 + HD3 LYS 26 OK 66 67 100 100 2.0-3.3 3.5=94, 6251/5.7=20...(80) HB3 LYS 19 + HD3 LYS 19 OK 64 100 65 98 3.3-4.2 3.9=67, 6150/6.2=11...(78) HB ILE 32 - HD3 LYS 26 far 7 69 10 - 3.4-6.5 HB3 LYS 31 - HD3 LYS 26 far 7 69 10 - 3.5-10.7 HB3 LYS 19 - HD2 LYS 31 far 4 84 5 - 3.4-23.3 HB3 LYS 19 - HD3 LYS 31 far 4 79 5 - 3.0-23.2 HB ILE 32 - HD2 LYS 26 far 0 77 0 - 4.2-5.1 HB3 ARG 23 - HD3 LYS 24 far 0 94 0 - 4.2-8.9 HB3 LYS 31 - HD2 LYS 26 far 0 76 0 - 4.7-11.2 HB3 ARG 23 - HD2 LYS 24 far 0 81 0 - 5.3-8.9 HB VAL 93 - HD3 LYS 95 far 0 47 0 - 5.6-8.6 HB ILE 32 - HD2 LYS 36 far 0 84 0 - 5.9-6.8 HB3 LYS 26 - HD2 LYS 31 far 0 81 0 - 5.9-12.3 HB2 LYS 36 - HD3 LYS 26 far 0 65 0 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 26 far 0 64 0 - 6.3-14.3 HB3 LEU 98 - HD2 LYS 95 far 0 47 0 - 6.3-9.1 HB2 LYS 36 - HD2 LYS 26 far 0 72 0 - 6.3-11.2 HB3 LYS 19 - HD3 LYS 24 far 0 99 0 - 6.4-14.8 HB VAL 93 - HD2 LYS 95 far 0 53 0 - 6.4-8.7 HB ILE 32 - HD3 LYS 31 far 0 79 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 73 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 71 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 83 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 88 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 76 0 - 6.8-12.2 HB3 LEU 98 - HD3 LYS 95 far 0 41 0 - 7.0-9.0 HB3 ARG 23 - HD2 LYS 31 far 0 78 0 - 7.3-22.1 HB ILE 32 - HD3 LYS 36 far 0 87 0 - 7.6-8.5 HB3 LYS 31 - HD3 LYS 19 far 0 99 0 - 8.1-26.2 HB2 LYS 36 - HD3 LYS 31 far 0 74 0 - 8.1-12.5 HB2 CYS 79 - HD3 LYS 19 far 0 75 0 - 8.3-33.8 HB2 LYS 36 - HD2 LYS 31 far 0 79 0 - 8.3-12.3 HB2 LYS 86 - HD3 LYS 19 far 0 94 0 - 8.4-38.5 HB3 LYS 31 - HD2 LYS 19 far 0 100 0 - 8.4-26.6 HB VAL 93 - HD3 LYS 19 far 0 80 0 - 8.4-40.5 HB3 ARG 23 - HD3 LYS 19 far 0 96 0 - 8.5-12.9 HB2 CYS 79 - HD2 LYS 24 far 0 60 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 51 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 67 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 19 far 0 99 0 - 8.8-16.9 HB3 LYS 24 - HD2 LYS 26 far 0 75 0 - 8.8-11.0 HB3 ARG 23 - HD2 LYS 19 far 0 97 0 - 8.9-12.7 HB VAL 93 - HD2 LYS 19 far 0 81 0 - 9.3-40.8 HB3 LYS 31 - HD2 LYS 36 far 0 84 0 - 9.3-10.5 HB2 LYS 86 - HD2 LYS 19 far 0 95 0 - 9.3-38.4 HB3 LYS 26 - HD3 LYS 24 far 0 97 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 70 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 77 0 - 9.5-19.2 HB3 LYS 26 - HD2 LYS 36 far 0 82 0 - 9.7-12.7 HB2 CYS 79 - HD3 LYS 36 far 0 60 0 - 9.8-11.3 HB2 CYS 79 - HD2 LYS 36 far 0 58 0 - 9.8-11.7 HB3 LYS 24 - HD3 LYS 19 far 0 99 0 - 9.8-17.0 HB3 ARG 23 - HD2 LYS 36 far 0 79 0 - 9.9-20.6 HB2 CYS 79 - HD3 LYS 24 far 0 73 0 - 9.9-24.7 HB2 CYS 79 - HD2 LYS 19 far 0 76 0 - 9.9-33.8 HB3 LYS 31 - HD2 LYS 24 far 0 87 0 - 10.0-22.7 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 88 assignments used, quality = 1.00: * HG2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-2.7 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 98 98 100 100 2.4-3.0 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 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 80 80 100 100 2.7-2.9 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 2.3-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 68 68 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 64 64 100 100 2.6-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 63 63 100 100 2.3-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 58 58 100 100 2.3-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 56 56 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 51 51 100 100 2.5-3.0 2.9=100 QB ALA 29 - HD2 LYS 26 poor 15 74 20 - 2.5-6.4 QB ALA 16 - HD2 LYS 19 far 8 81 10 - 3.5-7.5 QB ALA 29 - HD3 LYS 26 far 7 67 10 - 2.3-7.8 QB ALA 15 - HD2 LYS 19 far 5 97 5 - 3.8-10.9 QB ALA 15 - HD3 LYS 19 far 5 96 5 - 3.7-10.4 HG2 LYS 19 - HD3 LYS 31 far 4 79 5 - 3.6-23.8 HG3 LYS 31 - HD3 LYS 26 far 0 59 0 - 4.1-12.0 QB ALA 16 - HD3 LYS 31 far 0 57 0 - 4.2-24.3 QB ALA 16 - HD3 LYS 19 far 0 80 0 - 4.2-7.8 QB ALA 12 - HD2 LYS 31 far 0 78 0 - 4.5-32.1 QB ALA 16 - HD2 LYS 31 far 0 61 0 - 4.6-24.2 QB ALA 28 - HD3 LYS 26 far 0 60 0 - 4.7-8.5 HG2 LYS 19 - HD2 LYS 31 far 0 84 0 - 4.9-23.9 QB ALA 28 - HD2 LYS 26 far 0 67 0 - 4.9-7.9 QB ALA 21 - HD2 LYS 24 far 0 58 0 - 5.1-9.6 QB ALA 12 - HD3 LYS 31 far 0 73 0 - 5.2-32.1 HG3 LYS 31 - HD2 LYS 26 far 0 66 0 - 5.4-12.2 QB ALA 21 - HD3 LYS 24 far 0 71 0 - 5.5-10.1 QB ALA 12 - HD3 LYS 95 far 0 61 0 - 5.5-31.9 QB ALA 12 - HD2 LYS 95 far 0 68 0 - 5.6-32.8 QB ALA 21 - HD2 LYS 19 far 0 73 0 - 5.6-6.4 QB ALA 21 - HD3 LYS 31 far 0 51 0 - 5.8-21.0 QB ALA 29 - HD2 LYS 36 far 0 82 0 - 6.1-9.0 QB ALA 21 - HD3 LYS 19 far 0 73 0 - 6.2-7.5 HG3 LYS 31 - HD2 LYS 36 far 0 73 0 - 6.6-10.5 HB2 LEU 96 - HD2 LYS 95 far 0 69 0 - 6.7-9.2 HG3 LYS 26 - HD3 LYS 31 far 0 73 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 78 0 - 6.9-14.3 QB ALA 21 - HD2 LYS 31 far 0 55 0 - 7.1-20.7 HB2 LEU 96 - HD3 LYS 95 far 0 62 0 - 7.1-8.9 QB ALA 12 - HD3 LYS 19 far 0 96 0 - 7.4-17.7 HG LEU 96 - HD3 LYS 95 far 0 36 0 - 7.4-9.8 QB ALA 29 - HD3 LYS 36 far 0 84 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 81 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 76 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 92 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 99 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 91 0 - 7.7-26.9 QB ALA 15 - HD3 LYS 95 far 0 61 0 - 7.8-38.1 QB ALA 28 - HD3 LYS 31 far 0 69 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 91 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 76 0 - 7.9-11.7 HG LEU 96 - HD2 LYS 95 far 0 41 0 - 8.0-10.0 QB ALA 15 - HD2 LYS 95 far 0 68 0 - 8.0-39.2 QB ALA 28 - HD2 LYS 24 far 0 77 0 - 8.1-15.1 QB ALA 21 - HD3 LYS 26 far 0 44 0 - 8.2-15.0 QB ALA 21 - HD2 LYS 26 far 0 49 0 - 8.2-15.3 QB ALA 28 - HD2 LYS 31 far 0 74 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 97 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 88 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 99 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 65 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 72 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 79 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 64 0 - 8.6-22.7 QB ALA 16 - HD2 LYS 24 far 0 65 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 94 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 78 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 87 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 79 0 - 9.1-12.8 QB ALA 12 - HD3 LYS 36 far 0 81 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 97 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 73 0 - 9.2-24.7 HG2 LYS 24 - HD3 LYS 26 far 0 68 0 - 9.3-12.6 HG3 LYS 31 - HD2 LYS 24 far 0 76 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 82 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 99 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 71 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 84 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 89 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 70 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 81 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 78 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 78 0 - 9.9-17.6 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 55 assignments used, quality = 1.00: HG3 LYS 19 + HD3 LYS 19 OK 93 100 100 93 2.3-2.8 3.0=88, 6152/6.2=7...(24) * HG3 LYS 19 + HD2 LYS 19 OK 93 100 100 93 2.9-3.0 3.0=88, 6152/6.2=7...(24) HG3 LYS 24 + HD3 LYS 24 OK 89 95 100 93 2.3-3.0 3.0=87, 484/5.4=13...(16) HG3 LYS 24 + HD2 LYS 24 OK 77 83 100 93 2.2-3.0 3.0=87, 484/5.4=13...(16) HG2 LYS 26 + HD2 LYS 26 OK 72 75 100 97 2.2-3.0 2.9=95, 6252/5.7=12...(15) HG2 LYS 26 + HD3 LYS 26 OK 65 67 100 97 2.2-3.0 2.9=95, 6252/5.7=12...(15) HG3 LYS 36 + HD3 LYS 36 OK 61 65 100 94 2.7-2.9 3.0=86, 3.0/1031=16...(21) HG2 LYS 31 + HD2 LYS 31 OK 60 65 100 93 2.4-3.0 2.9=90, 5.0/6336=5...(13) HG3 LYS 36 + HD2 LYS 36 OK 59 62 100 94 2.8-3.0 3.0=86, 3.0/1042=15...(21) HG2 LYS 31 + HD3 LYS 31 OK 56 61 100 92 2.2-3.0 2.9=90, 822/5.2=5...(13) HG13 ILE 32 - HD2 LYS 26 far 11 73 15 - 2.3-5.4 QB ALA 92 - HD2 LYS 95 far 4 71 5 - 3.1-6.5 HG13 ILE 32 - HD3 LYS 26 far 0 66 0 - 3.4-5.5 HG3 LYS 19 - HD3 LYS 31 far 0 79 0 - 3.5-23.9 HG2 LYS 31 - HD3 LYS 26 far 0 53 0 - 4.0-11.7 QB ALA 34 - HD2 LYS 26 far 0 51 0 - 4.2-7.0 HG3 LYS 19 - HD2 LYS 31 far 0 84 0 - 4.2-23.7 QB ALA 34 - HD3 LYS 26 far 0 46 0 - 4.4-7.4 QB ALA 92 - HD3 LYS 95 far 0 63 0 - 4.5-5.9 HG2 LYS 26 - HD3 LYS 31 far 0 77 0 - 5.1-14.0 HG2 LYS 26 - HD2 LYS 31 far 0 82 0 - 5.2-13.9 HG2 LYS 31 - HD2 LYS 26 far 0 59 0 - 5.7-12.1 QB ALA 34 - HD2 LYS 36 far 0 58 0 - 5.8-6.1 HG13 ILE 32 - HD2 LYS 31 far 0 80 0 - 6.0-8.4 HG13 ILE 32 - HD3 LYS 31 far 0 75 0 - 6.2-9.0 QB ALA 34 - HD3 LYS 36 far 0 60 0 - 6.3-6.6 HG3 LYS 19 - HD3 LYS 24 far 0 99 0 - 7.6-15.9 QB ALA 34 - HD3 LYS 19 far 0 75 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 53 0 - 7.9-10.9 HG2 LYS 86 - HD3 LYS 19 far 0 73 0 - 8.0-37.5 HG3 LYS 24 - HD2 LYS 19 far 0 97 0 - 8.0-16.0 HG2 LYS 31 - HD2 LYS 36 far 0 66 0 - 8.0-10.5 QB ALA 34 - HD2 LYS 31 far 0 57 0 - 8.0-10.8 HG13 ILE 32 - HD2 LYS 36 far 0 81 0 - 8.1-8.6 HG3 LYS 36 - HD3 LYS 26 far 0 49 0 - 8.3-14.1 HG2 LYS 26 - HD3 LYS 24 far 0 97 0 - 8.3-12.6 HG3 LYS 19 - HD2 LYS 24 far 0 88 0 - 8.4-15.6 HG2 LYS 31 - HD3 LYS 19 far 0 84 0 - 8.5-25.2 HG2 LYS 31 - HD2 LYS 19 far 0 85 0 - 8.5-25.7 HG3 LYS 36 - HD2 LYS 26 far 0 55 0 - 8.6-12.6 QB ALA 34 - HD2 LYS 24 far 0 60 0 - 8.8-16.8 HG3 LYS 19 - HD3 LYS 26 far 0 70 0 - 9.0-20.4 QB ALA 34 - HD2 LYS 19 far 0 76 0 - 9.1-23.8 HG2 LYS 31 - HD3 LYS 36 far 0 69 0 - 9.2-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 82 0 - 9.2-12.8 HG3 LYS 24 - HD3 LYS 19 far 0 97 0 - 9.2-16.2 QB ALA 34 - HD3 LYS 24 far 0 73 0 - 9.2-15.8 HG2 LYS 86 - HD2 LYS 19 far 0 73 0 - 9.3-37.4 HG3 LYS 36 - HD3 LYS 31 far 0 57 0 - 9.4-14.3 HG2 LYS 26 - HD2 LYS 24 far 0 85 0 - 9.4-13.2 HG3 LYS 19 - HD2 LYS 26 far 0 77 0 - 9.5-19.8 HG3 LYS 36 - HD2 LYS 31 far 0 61 0 - 9.5-14.0 HG3 LYS 24 - HD3 LYS 31 far 0 74 0 - 9.8-22.2 HG13 ILE 32 - HD3 LYS 36 far 0 84 0 - 9.8-10.3 HG2 LYS 31 - HD2 LYS 24 far 0 69 0 - 10.0-23.6 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 66 assignments used, quality = 1.00: HE3 LYS 19 + HD2 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 100 100 100 100 2.2-3.0 2.9=100 HE2 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 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.5-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 84 84 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 84 84 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 84 84 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 77 77 100 100 2.2-2.9 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 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 68 68 100 100 2.3-3.0 3.0=100 HE3 LYS 19 - HD2 LYS 31 far 0 84 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 79 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 84 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 79 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 78 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 69 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 82 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 85 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 69 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 100 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 85 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 100 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 100 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 83 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 85 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 83 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 79 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 77 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 87 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 77 0 - 7.7-13.6 HB3 ASN 121 - HD3 LYS 95 far 0 47 0 - 7.9-10.8 HE2 LYS 31 - HD3 LYS 36 far 0 87 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 100 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 84 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 83 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 100 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 79 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 98 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 79 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 87 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 100 0 - 8.6-36.9 HB3 ASN 121 - HD2 LYS 95 far 0 53 0 - 8.7-10.6 HE3 LYS 24 - HD3 LYS 19 far 0 98 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 77 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 86 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 65 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 98 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 77 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 86 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 69 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 100 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 99 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 69 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 99 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 99 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 100 0 - 9.9-17.4 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 66 assignments used, quality = 1.00: * HE3 LYS 19 + HD2 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 100 100 100 100 2.2-3.0 2.9=100 HE2 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 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.5-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 84 84 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 84 84 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 84 84 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 77 77 100 100 2.2-2.9 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 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 68 68 100 100 2.3-3.0 3.0=100 HE3 LYS 19 - HD2 LYS 31 far 0 84 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 79 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 84 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 79 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 78 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 69 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 82 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 85 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 69 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 100 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 85 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 100 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 100 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 83 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 85 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 83 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 79 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 77 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 87 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 77 0 - 7.7-13.6 HB3 ASN 121 - HD3 LYS 95 far 0 47 0 - 7.9-10.8 HE2 LYS 31 - HD3 LYS 36 far 0 87 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 100 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 84 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 83 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 100 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 79 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 98 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 79 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 87 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 100 0 - 8.6-36.9 HB3 ASN 121 - HD2 LYS 95 far 0 53 0 - 8.7-10.6 HE3 LYS 24 - HD3 LYS 19 far 0 98 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 77 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 86 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 65 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 98 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 77 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 86 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 69 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 100 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 99 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 69 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 99 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 99 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 100 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 304 from aliabs.peaks (4.27, 1.65, 28.66 ppm; 4.28 A increased from 3.61 A): 7 out of 91 assignments used, quality = 1.00: HA LYS 19 + HD2 LYS 19 OK 99 100 100 99 3.5-4.4 5.2=57, ~6151=33...(42) HA LYS 31 + HD2 LYS 31 OK 80 81 100 99 2.0-4.7 5.2=56, 822/2.9=30...(32) HA LYS 31 + HD3 LYS 31 OK 74 75 100 99 1.9-4.8 5.2=56, 822/2.9=30...(32) HA LYS 36 + HD2 LYS 36 OK 69 70 100 99 4.6-4.6 5.3=54, ~6394=32...(29) * HA LYS 19 + HD3 LYS 19 OK 64 100 65 99 3.8-5.0 5.2=57, ~6151=33...(41) HA LYS 26 + HD3 LYS 26 OK 50 64 80 99 2.0-5.3 5.0=64, ~6253=35...(34) HA LYS 26 + HD2 LYS 26 OK 50 72 70 99 2.0-5.1 5.0=64, ~6253=35...(34) HA LEU 22 - HD3 LYS 24 poor 18 96 35 52 3.7-8.5 ~1309=12, 11967/3.0=9...(11) HA GLN 27 - HD3 LYS 26 poor 16 40 40 - 3.1-7.9 HA ALA 16 - HD2 LYS 19 far 15 99 15 - 4.1-8.2 HA LEU 22 - HD2 LYS 24 poor 15 80 35 53 3.2-9.0 ~1309=12, 11967/3.0=9...(11) HA ALA 16 - HD3 LYS 19 far 10 100 10 - 4.7-9.2 HA GLN 27 - HD2 LYS 26 poor 9 46 20 - 3.5-7.5 HA ALA 28 - HD3 LYS 26 poor 9 35 25 - 3.9-9.2 HA LYS 31 - HD3 LYS 26 far 6 64 10 - 4.0-10.4 HA ARG 23 - HD3 LYS 24 far 5 96 5 - 4.0-7.6 HA SER 74 - HD3 LYS 19 far 4 89 5 - 4.6-35.1 HA ALA 28 - HD2 LYS 26 far 4 40 10 - 4.2-7.8 HA LYS 19 - HD3 LYS 31 far 4 75 5 - 4.2-24.3 HA LYS 36 - HD3 LYS 36 far 4 73 5 - 4.9-5.2 HA THR 25 - HD2 LYS 26 far 0 55 0 - 4.9-6.7 HA THR 18 - HD2 LYS 19 far 0 97 0 - 5.0-5.5 HA ALA 21 - HD3 LYS 24 far 0 69 0 - 5.0-11.3 HA ARG 23 - HD2 LYS 24 far 0 79 0 - 5.0-7.8 HA LYS 19 - HD2 LYS 31 far 0 81 0 - 5.1-24.1 HA LYS 31 - HD2 LYS 26 far 0 73 0 - 5.1-10.1 HA THR 25 - HD3 LYS 26 far 0 48 0 - 5.2-6.8 HA ALA 21 - HD2 LYS 24 far 0 53 0 - 5.2-10.9 HA ARG 23 - HD3 LYS 31 far 0 73 0 - 5.4-17.9 HA ARG 23 - HD2 LYS 31 far 0 79 0 - 5.5-19.1 HA THR 18 - HD3 LYS 19 far 0 97 0 - 5.6-7.0 HA ALA 15 - HD2 LYS 19 far 0 98 0 - 5.7-11.6 HA THR 25 - HD3 LYS 24 far 0 80 0 - 5.8-7.0 HA LYS 36 - HD2 LYS 26 far 0 64 0 - 5.9-11.4 HA LYS 36 - HD3 LYS 26 far 0 56 0 - 6.0-12.7 HA ALA 15 - HD3 LYS 19 far 0 99 0 - 6.2-11.9 HA SER 74 - HD2 LYS 19 far 0 88 0 - 6.2-35.4 HA ARG 23 - HD3 LYS 26 far 0 62 0 - 6.4-12.1 HA THR 25 - HD2 LYS 24 far 0 63 0 - 6.5-8.0 HA LYS 26 - HD2 LYS 31 far 0 81 0 - 6.5-14.6 HA ALA 12 - HD3 LYS 19 far 0 93 0 - 6.5-20.5 HA LYS 19 - HD2 LYS 24 far 0 82 0 - 6.5-12.9 HA ALA 21 - HD3 LYS 31 far 0 48 0 - 6.6-23.8 HA LYS 19 - HD3 LYS 24 far 0 98 0 - 6.6-13.2 HA LYS 26 - HD3 LYS 24 far 0 97 0 - 6.8-10.5 HA ALA 12 - HD2 LYS 95 far 0 62 0 - 6.9-40.4 HA ALA 16 - HD3 LYS 31 far 0 74 0 - 7.0-28.5 HA ALA 12 - HD3 LYS 95 far 0 53 0 - 7.1-39.3 HA THR 18 - HD3 LYS 31 far 0 70 0 - 7.1-26.4 HA ALA 16 - HD2 LYS 31 far 0 80 0 - 7.3-28.5 HA LYS 31 - HD2 LYS 36 far 0 79 0 - 7.5-8.1 HA ALA 12 - HD2 LYS 19 far 0 93 0 - 7.6-20.3 HA SER 74 - HD3 LYS 24 far 0 84 0 - 7.6-23.3 HA ALA 21 - HD3 LYS 19 far 0 73 0 - 7.7-9.8 HA ALA 12 - HD2 LYS 31 far 0 71 0 - 7.7-38.2 HA LEU 22 - HD3 LYS 31 far 0 73 0 - 7.8-22.1 HA LYS 26 - HD3 LYS 31 far 0 75 0 - 7.8-13.5 HA LYS 26 - HD2 LYS 24 far 0 82 0 - 7.8-10.9 HA ALA 21 - HD2 LYS 19 far 0 73 0 - 7.8-8.6 HA ARG 23 - HD2 LYS 26 far 0 70 0 - 7.9-11.1 HA ALA 21 - HD2 LYS 31 far 0 53 0 - 8.2-24.8 HA LYS 31 - HD3 LYS 19 far 0 100 0 - 8.3-27.0 HA LEU 22 - HD2 LYS 26 far 0 71 0 - 8.4-15.7 HA SER 74 - HD2 LYS 24 far 0 67 0 - 8.4-24.9 HA ARG 23 - HD3 LYS 19 far 0 99 0 - 8.4-12.6 HA ALA 12 - HD3 LYS 31 far 0 65 0 - 8.4-38.1 HA LEU 22 - HD3 LYS 26 far 0 62 0 - 8.5-15.5 HA LEU 22 - HD2 LYS 19 far 0 99 0 - 8.6-11.0 HA LEU 22 - HD2 LYS 31 far 0 79 0 - 8.6-22.9 HA ARG 23 - HD2 LYS 19 far 0 99 0 - 8.7-12.2 HA THR 18 - HD2 LYS 24 far 0 77 0 - 8.7-12.7 HA THR 18 - HD2 LYS 31 far 0 76 0 - 8.7-26.2 HA THR 25 - HD3 LYS 31 far 0 57 0 - 8.7-17.7 HA SER 124 - HD3 LYS 95 far 0 32 0 - 8.8-12.3 HA SER 124 - HD2 LYS 95 far 0 38 0 - 8.8-12.6 HA LYS 31 - HD2 LYS 19 far 0 100 0 - 8.9-27.5 HA LYS 31 - HD3 LYS 36 far 0 82 0 - 9.1-9.5 HA THR 18 - HD3 LYS 24 far 0 94 0 - 9.1-13.3 HA THR 25 - HD2 LYS 31 far 0 62 0 - 9.2-17.6 HA ALA 15 - HD3 LYS 31 far 0 72 0 - 9.4-29.3 HA GLN 27 - HD3 LYS 31 far 0 48 0 - 9.4-13.4 HA GLN 27 - HD2 LYS 31 far 0 53 0 - 9.5-14.5 HA LEU 22 - HD3 LYS 19 far 0 99 0 - 9.5-12.1 HA ARG 23 - HD2 LYS 36 far 0 76 0 - 9.5-19.6 HA GLN 27 - HD3 LYS 24 far 0 69 0 - 9.6-12.5 HA THR 25 - HD2 LYS 19 far 0 84 0 - 9.6-17.8 HA LYS 19 - HD3 LYS 26 far 0 64 0 - 9.7-20.2 HA PHE 87 - HD3 LYS 95 far 0 62 0 - 9.7-12.5 HA PHE 87 - HD3 LYS 19 far 0 100 0 - 9.9-41.0 HA PHE 87 - HD2 LYS 19 far 0 100 0 - 10.0-40.9 HA LYS 26 - HD3 LYS 19 far 0 100 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 305 from aliabs.peaks (1.74, 1.65, 28.66 ppm; 4.74 A): 8 out of 48 assignments used, quality = 1.00: * HB2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.0-3.5 3.9=100 HB2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-3.2 3.9=100 HB2 LYS 24 + HD3 LYS 24 OK 98 98 100 100 2.6-3.7 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 82 82 100 100 2.6-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 81 81 100 100 2.1-4.2 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 2.1-4.0 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 64 64 100 100 2.3-3.9 3.5=100 HB2 LYS 31 - HD2 LYS 26 poor 15 73 20 - 3.7-10.0 HB2 LYS 31 - HD3 LYS 26 poor 13 64 20 - 2.1-9.6 HB2 LYS 19 - HD2 LYS 31 far 4 81 5 - 5.2-25.0 HB2 LYS 19 - HD3 LYS 31 far 4 75 5 - 4.6-25.0 HB2 ARG 23 - HD3 LYS 31 far 4 71 5 - 4.8-19.6 HB2 LYS 26 - HD2 LYS 31 far 0 81 0 - 5.4-13.3 HG3 ARG 90 - HD3 LYS 19 far 0 99 0 - 5.6-37.6 HB2 ARG 23 - HD3 LYS 24 far 0 94 0 - 5.6-9.0 HB2 ARG 23 - HD2 LYS 31 far 0 77 0 - 5.7-20.8 HB2 ARG 23 - HD2 LYS 24 far 0 78 0 - 6.0-9.1 HB2 LYS 26 - HD3 LYS 31 far 0 75 0 - 6.1-13.8 HG3 ARG 90 - HD2 LYS 19 far 0 99 0 - 6.5-37.7 HG13 ILE 129 - HD3 LYS 95 far 0 62 0 - 7.1-11.4 HB2 ARG 23 - HD3 LYS 19 far 0 98 0 - 7.3-12.6 HB2 LYS 24 - HD2 LYS 19 far 0 100 0 - 7.3-16.3 HG13 ILE 129 - HD2 LYS 95 far 0 72 0 - 7.3-11.5 HB2 ARG 23 - HD2 LYS 19 far 0 98 0 - 7.5-11.9 HB2 ARG 23 - HD3 LYS 26 far 0 60 0 - 7.5-14.0 HB ILE 80 - HD3 LYS 19 far 0 99 0 - 7.8-37.4 HB2 ARG 23 - HD2 LYS 26 far 0 68 0 - 7.8-13.1 HB2 LYS 19 - HD3 LYS 24 far 0 98 0 - 7.9-15.5 HB2 LYS 24 - HD3 LYS 26 far 0 64 0 - 7.9-11.0 HB2 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.2-24.6 HB2 LYS 19 - HD2 LYS 24 far 0 82 0 - 8.2-15.2 HB2 LYS 24 - HD3 LYS 19 far 0 100 0 - 8.2-16.3 HB2 LYS 31 - HD2 LYS 36 far 0 79 0 - 8.4-9.8 HB2 LYS 26 - HD3 LYS 24 far 0 98 0 - 8.4-11.9 HG3 ARG 90 - HD3 LYS 95 far 0 60 0 - 8.5-12.5 HB2 LYS 24 - HD2 LYS 26 far 0 73 0 - 8.6-11.1 HB2 LYS 31 - HD2 LYS 24 far 0 82 0 - 8.8-21.3 HG3 ARG 90 - HD2 LYS 95 far 0 70 0 - 9.2-11.8 HB ILE 80 - HD2 LYS 19 far 0 98 0 - 9.2-37.4 HB2 LYS 31 - HD2 LYS 19 far 0 100 0 - 9.2-25.0 HB2 LYS 31 - HD3 LYS 24 far 0 98 0 - 9.4-20.4 HB2 ARG 23 - HD2 LYS 36 far 0 74 0 - 9.5-21.1 HB2 LYS 26 - HD2 LYS 24 far 0 82 0 - 9.6-12.5 HB2 LYS 31 - HD3 LYS 36 far 0 82 0 - 9.7-11.4 HG3 ARG 90 - HD3 LYS 24 far 0 96 0 - 9.8-25.6 HB2 LYS 24 - HD3 LYS 31 far 0 75 0 - 9.9-20.2 HB2 LYS 24 - HD2 LYS 31 far 0 81 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 306 from aliabs.peaks (1.81, 1.65, 28.66 ppm; 3.42 A): 10 out of 64 assignments used, quality = 1.00: HB3 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.1-3.7 3.5=91, 482/5.4=25...(38) HB3 LYS 19 + HD2 LYS 19 OK 93 100 95 98 3.5-4.1 3.9=65, 6150/6.2=10...(79) HB3 LYS 31 + HD2 LYS 31 OK 80 80 100 100 2.0-3.8 3.5=94, 6332/6.2=17...(71) HB3 LYS 24 + HD2 LYS 24 OK 75 79 95 100 2.5-4.2 3.5=91, 482/5.4=25...(38) HB2 LYS 36 + HD2 LYS 36 OK 73 73 100 100 2.0-3.2 3.5=92, 1.8/1042=28...(72) HB2 LYS 36 + HD3 LYS 36 OK 73 77 95 100 3.0-4.0 3.5=92, 1.8/1042=29...(83) HB3 LYS 31 + HD3 LYS 31 OK 70 74 95 100 2.1-4.1 3.5=94, 6332/6.2=17...(71) HB3 LYS 26 + HD2 LYS 26 OK 69 69 100 100 2.0-3.2 3.5=92, 6251/5.7=20...(80) * HB3 LYS 19 + HD3 LYS 19 OK 64 100 65 98 3.3-4.2 3.9=65, 6150/6.2=10...(78) HB3 LYS 26 + HD3 LYS 26 OK 61 61 100 100 2.0-3.3 3.5=92, 6251/5.7=20...(77) HB ILE 32 - HD3 LYS 26 far 6 63 10 - 3.4-6.5 HB3 LYS 31 - HD3 LYS 26 far 6 63 10 - 3.5-10.7 HB3 LYS 19 - HD2 LYS 31 far 4 81 5 - 3.4-23.3 HB3 LYS 19 - HD3 LYS 31 far 4 75 5 - 3.0-23.2 HB ILE 32 - HD2 LYS 26 far 0 72 0 - 4.2-5.1 HB3 ARG 23 - HD3 LYS 24 far 0 93 0 - 4.2-8.9 HB3 LYS 31 - HD2 LYS 26 far 0 71 0 - 4.7-11.2 HB3 ARG 23 - HD2 LYS 24 far 0 76 0 - 5.3-8.9 HB VAL 93 - HD3 LYS 95 far 0 43 0 - 5.6-8.6 HB ILE 32 - HD2 LYS 36 far 0 78 0 - 5.9-6.8 HB3 LYS 26 - HD2 LYS 31 far 0 78 0 - 5.9-12.3 HB2 LYS 36 - HD3 LYS 26 far 0 59 0 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 26 far 0 58 0 - 6.3-14.3 HB3 LEU 98 - HD2 LYS 95 far 0 45 0 - 6.3-9.1 HB2 LYS 36 - HD2 LYS 26 far 0 67 0 - 6.3-11.2 HB3 LYS 19 - HD3 LYS 24 far 0 98 0 - 6.4-14.8 HB VAL 93 - HD2 LYS 95 far 0 51 0 - 6.4-8.7 HB ILE 32 - HD3 LYS 31 far 0 74 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 69 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 66 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 80 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 82 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 72 0 - 6.8-12.2 HB3 LEU 98 - HD3 LYS 95 far 0 38 0 - 7.0-9.0 HB3 ARG 23 - HD2 LYS 31 far 0 75 0 - 7.3-22.1 HB ILE 32 - HD3 LYS 36 far 0 81 0 - 7.6-8.5 HB3 LYS 31 - HD3 LYS 19 far 0 100 0 - 8.1-26.2 HB2 LYS 36 - HD3 LYS 31 far 0 70 0 - 8.1-12.5 HB2 CYS 79 - HD3 LYS 19 far 0 76 0 - 8.3-33.8 HB2 LYS 36 - HD2 LYS 31 far 0 76 0 - 8.3-12.3 HB2 LYS 86 - HD3 LYS 19 far 0 95 0 - 8.4-38.5 HB3 LYS 31 - HD2 LYS 19 far 0 99 0 - 8.4-26.6 HB VAL 93 - HD3 LYS 19 far 0 81 0 - 8.4-40.5 HB3 ARG 23 - HD3 LYS 19 far 0 97 0 - 8.5-12.9 HB2 CYS 79 - HD2 LYS 24 far 0 55 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 48 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 62 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 19 far 0 99 0 - 8.8-16.9 HB3 LYS 24 - HD2 LYS 26 far 0 70 0 - 8.8-11.0 HB3 ARG 23 - HD2 LYS 19 far 0 96 0 - 8.9-12.7 HB VAL 93 - HD2 LYS 19 far 0 80 0 - 9.3-40.8 HB3 LYS 31 - HD2 LYS 36 far 0 77 0 - 9.3-10.5 HB2 LYS 86 - HD2 LYS 19 far 0 94 0 - 9.3-38.4 HB3 LYS 26 - HD3 LYS 24 far 0 95 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 64 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 73 0 - 9.5-19.2 HB3 LYS 26 - HD2 LYS 36 far 0 75 0 - 9.7-12.7 HB2 CYS 79 - HD3 LYS 36 far 0 55 0 - 9.8-11.3 HB2 CYS 79 - HD2 LYS 36 far 0 53 0 - 9.8-11.7 HB3 LYS 24 - HD3 LYS 19 far 0 99 0 - 9.8-17.0 HB3 ARG 23 - HD2 LYS 36 far 0 72 0 - 9.9-20.6 HB2 CYS 79 - HD3 LYS 24 far 0 71 0 - 9.9-24.7 HB2 CYS 79 - HD2 LYS 19 far 0 75 0 - 9.9-33.8 HB3 LYS 31 - HD2 LYS 24 far 0 81 0 - 10.0-22.7 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 88 assignments used, quality = 1.00: * HG2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-2.7 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.4-3.0 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 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 73 73 100 100 2.7-2.9 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 2.3-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 64 64 100 100 2.2-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 60 60 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 58 58 100 100 2.6-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 56 56 100 100 2.3-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 52 52 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 48 48 100 100 2.5-3.0 2.9=100 QB ALA 29 - HD2 LYS 26 poor 14 69 20 - 2.5-6.4 QB ALA 16 - HD2 LYS 19 far 8 80 10 - 3.5-7.5 QB ALA 29 - HD3 LYS 26 far 6 61 10 - 2.3-7.8 QB ALA 15 - HD3 LYS 19 far 5 97 5 - 3.7-10.4 HG2 LYS 19 - HD3 LYS 31 far 4 75 5 - 3.6-23.8 QB ALA 15 - HD2 LYS 19 far 0 96 0 - 3.8-10.9 HG3 LYS 31 - HD3 LYS 26 far 0 53 0 - 4.1-12.0 QB ALA 16 - HD3 LYS 31 far 0 53 0 - 4.2-24.3 QB ALA 16 - HD3 LYS 19 far 0 81 0 - 4.2-7.8 QB ALA 12 - HD2 LYS 31 far 0 75 0 - 4.5-32.1 QB ALA 16 - HD2 LYS 31 far 0 59 0 - 4.6-24.2 QB ALA 28 - HD3 LYS 26 far 0 55 0 - 4.7-8.5 HG2 LYS 19 - HD2 LYS 31 far 0 81 0 - 4.9-23.9 QB ALA 28 - HD2 LYS 26 far 0 63 0 - 4.9-7.9 QB ALA 21 - HD2 LYS 24 far 0 53 0 - 5.1-9.6 QB ALA 12 - HD3 LYS 31 far 0 69 0 - 5.2-32.1 HG3 LYS 31 - HD2 LYS 26 far 0 61 0 - 5.4-12.2 QB ALA 21 - HD3 LYS 24 far 0 69 0 - 5.5-10.1 QB ALA 12 - HD3 LYS 95 far 0 56 0 - 5.5-31.9 QB ALA 12 - HD2 LYS 95 far 0 66 0 - 5.6-32.8 QB ALA 21 - HD2 LYS 19 far 0 73 0 - 5.6-6.4 QB ALA 21 - HD3 LYS 31 far 0 48 0 - 5.8-21.0 QB ALA 29 - HD2 LYS 36 far 0 75 0 - 6.1-9.0 QB ALA 21 - HD3 LYS 19 far 0 73 0 - 6.2-7.5 HG3 LYS 31 - HD2 LYS 36 far 0 67 0 - 6.6-10.5 HB2 LEU 96 - HD2 LYS 95 far 0 67 0 - 6.7-9.2 HG3 LYS 26 - HD3 LYS 31 far 0 69 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 75 0 - 6.9-14.3 QB ALA 21 - HD2 LYS 31 far 0 53 0 - 7.1-20.7 HB2 LEU 96 - HD3 LYS 95 far 0 57 0 - 7.1-8.9 QB ALA 12 - HD3 LYS 19 far 0 97 0 - 7.4-17.7 HG LEU 96 - HD3 LYS 95 far 0 33 0 - 7.4-9.8 QB ALA 29 - HD3 LYS 36 far 0 79 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 78 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 72 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 91 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 98 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 92 0 - 7.7-26.9 QB ALA 15 - HD3 LYS 95 far 0 56 0 - 7.8-38.1 QB ALA 28 - HD3 LYS 31 far 0 65 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 89 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 70 0 - 7.9-11.7 HG LEU 96 - HD2 LYS 95 far 0 40 0 - 8.0-10.0 QB ALA 15 - HD2 LYS 95 far 0 66 0 - 8.0-39.2 QB ALA 28 - HD2 LYS 24 far 0 72 0 - 8.1-15.1 QB ALA 21 - HD3 LYS 26 far 0 40 0 - 8.2-15.0 QB ALA 21 - HD2 LYS 26 far 0 46 0 - 8.2-15.3 QB ALA 28 - HD2 LYS 31 far 0 71 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 96 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 82 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 99 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 59 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 67 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 72 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 58 0 - 8.6-22.7 QB ALA 16 - HD2 LYS 24 far 0 59 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 93 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 73 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 82 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 72 0 - 9.1-12.8 QB ALA 12 - HD3 LYS 36 far 0 76 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 95 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 69 0 - 9.2-24.7 HG2 LYS 24 - HD3 LYS 26 far 0 62 0 - 9.3-12.6 HG3 LYS 31 - HD2 LYS 24 far 0 70 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 79 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 99 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 66 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 79 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 87 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 64 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 76 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 75 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 76 0 - 9.9-17.6 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 55 assignments used, quality = 1.00: * HG3 LYS 19 + HD3 LYS 19 OK 92 100 100 92 2.3-2.8 3.0=86, 6152/6.2=7...(24) HG3 LYS 19 + HD2 LYS 19 OK 92 100 100 92 2.9-3.0 3.0=86, 6152/6.2=7...(24) HG3 LYS 24 + HD3 LYS 24 OK 86 94 100 92 2.3-3.0 3.0=86, 484/5.4=13...(16) HG3 LYS 24 + HD2 LYS 24 OK 70 77 100 92 2.2-3.0 3.0=86, 484/5.4=13...(16) HG2 LYS 26 + HD2 LYS 26 OK 67 70 100 96 2.2-3.0 2.9=93, 6252/5.7=12...(15) HG2 LYS 26 + HD3 LYS 26 OK 59 62 100 96 2.2-3.0 2.9=93, 6252/5.7=12...(15) HG2 LYS 31 + HD2 LYS 31 OK 57 62 100 91 2.4-3.0 2.9=88, 5.0/6336=5...(13) HG3 LYS 36 + HD3 LYS 36 OK 55 59 100 93 2.7-2.9 3.0=85, 3.0/1031=15...(21) HG3 LYS 36 + HD2 LYS 36 OK 53 57 100 93 2.8-3.0 3.0=85, 3.0/1031=14...(21) HG2 LYS 31 + HD3 LYS 31 OK 52 57 100 91 2.2-3.0 2.9=88, 822/5.2=5...(13) HG13 ILE 32 - HD2 LYS 26 far 10 68 15 - 2.3-5.4 QB ALA 92 - HD2 LYS 95 far 3 68 5 - 3.1-6.5 HG13 ILE 32 - HD3 LYS 26 far 0 60 0 - 3.4-5.5 HG3 LYS 19 - HD3 LYS 31 far 0 75 0 - 3.5-23.9 HG2 LYS 31 - HD3 LYS 26 far 0 48 0 - 4.0-11.7 QB ALA 34 - HD2 LYS 26 far 0 48 0 - 4.2-7.0 HG3 LYS 19 - HD2 LYS 31 far 0 81 0 - 4.2-23.7 QB ALA 34 - HD3 LYS 26 far 0 41 0 - 4.4-7.4 QB ALA 92 - HD3 LYS 95 far 0 59 0 - 4.5-5.9 HG2 LYS 26 - HD3 LYS 31 far 0 73 0 - 5.1-14.0 HG2 LYS 26 - HD2 LYS 31 far 0 79 0 - 5.2-13.9 HG2 LYS 31 - HD2 LYS 26 far 0 55 0 - 5.7-12.1 QB ALA 34 - HD2 LYS 36 far 0 53 0 - 5.8-6.1 HG13 ILE 32 - HD2 LYS 31 far 0 77 0 - 6.0-8.4 HG13 ILE 32 - HD3 LYS 31 far 0 71 0 - 6.2-9.0 QB ALA 34 - HD3 LYS 36 far 0 55 0 - 6.3-6.6 HG3 LYS 19 - HD3 LYS 24 far 0 98 0 - 7.6-15.9 QB ALA 34 - HD3 LYS 19 far 0 76 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 50 0 - 7.9-10.9 HG2 LYS 86 - HD3 LYS 19 far 0 73 0 - 8.0-37.5 HG3 LYS 24 - HD2 LYS 19 far 0 97 0 - 8.0-16.0 HG2 LYS 31 - HD2 LYS 36 far 0 60 0 - 8.0-10.5 QB ALA 34 - HD2 LYS 31 far 0 55 0 - 8.0-10.8 HG13 ILE 32 - HD2 LYS 36 far 0 74 0 - 8.1-8.6 HG3 LYS 36 - HD3 LYS 26 far 0 45 0 - 8.3-14.1 HG2 LYS 26 - HD3 LYS 24 far 0 96 0 - 8.3-12.6 HG3 LYS 19 - HD2 LYS 24 far 0 82 0 - 8.4-15.6 HG2 LYS 31 - HD3 LYS 19 far 0 85 0 - 8.5-25.2 HG2 LYS 31 - HD2 LYS 19 far 0 84 0 - 8.5-25.7 HG3 LYS 36 - HD2 LYS 26 far 0 51 0 - 8.6-12.6 QB ALA 34 - HD2 LYS 24 far 0 55 0 - 8.8-16.8 HG3 LYS 19 - HD3 LYS 26 far 0 64 0 - 9.0-20.4 QB ALA 34 - HD2 LYS 19 far 0 75 0 - 9.1-23.8 HG2 LYS 31 - HD3 LYS 36 far 0 63 0 - 9.2-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 76 0 - 9.2-12.8 HG3 LYS 24 - HD3 LYS 19 far 0 97 0 - 9.2-16.2 QB ALA 34 - HD3 LYS 24 far 0 71 0 - 9.2-15.8 HG2 LYS 86 - HD2 LYS 19 far 0 73 0 - 9.3-37.4 HG3 LYS 36 - HD3 LYS 31 far 0 53 0 - 9.4-14.3 HG2 LYS 26 - HD2 LYS 24 far 0 79 0 - 9.4-13.2 HG3 LYS 19 - HD2 LYS 26 far 0 73 0 - 9.5-19.8 HG3 LYS 36 - HD2 LYS 31 far 0 59 0 - 9.5-14.0 HG3 LYS 24 - HD3 LYS 31 far 0 70 0 - 9.8-22.2 HG13 ILE 32 - HD3 LYS 36 far 0 78 0 - 9.8-10.3 HG2 LYS 31 - HD2 LYS 24 far 0 63 0 - 10.0-23.6 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 66 assignments used, quality = 1.00: HE3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 * HE2 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 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 81 81 100 100 2.5-3.0 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 2.3-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 78 78 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 78 78 100 100 2.4-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 78 78 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 72 72 100 100 2.2-2.9 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 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 62 62 100 100 2.3-3.0 3.0=100 HE3 LYS 19 - HD2 LYS 31 far 0 81 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 75 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 81 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 75 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 73 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 64 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 79 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 78 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 64 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 100 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 78 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 100 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 100 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 80 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 78 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 80 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 74 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 72 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 82 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 72 0 - 7.7-13.6 HB3 ASN 121 - HD3 LYS 95 far 0 43 0 - 7.9-10.8 HE2 LYS 31 - HD3 LYS 36 far 0 82 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 100 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 81 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 77 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 100 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 75 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 98 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 74 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 82 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 100 0 - 8.6-36.9 HB3 ASN 121 - HD2 LYS 95 far 0 51 0 - 8.7-10.6 HE3 LYS 24 - HD3 LYS 19 far 0 98 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 72 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 80 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 59 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 96 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 72 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 80 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 63 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 100 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 98 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 63 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 99 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 99 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 100 0 - 9.9-17.4 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 66 assignments used, quality = 1.00: * HE3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HE2 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 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 81 81 100 100 2.5-3.0 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 2.3-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 78 78 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 78 78 100 100 2.4-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 78 78 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 72 72 100 100 2.2-2.9 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 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 62 62 100 100 2.3-3.0 3.0=100 HE3 LYS 19 - HD2 LYS 31 far 0 81 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 75 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 81 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 75 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 73 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 64 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 79 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 78 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 64 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 100 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 78 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 100 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 100 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 80 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 78 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 80 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 74 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 72 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 82 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 72 0 - 7.7-13.6 HB3 ASN 121 - HD3 LYS 95 far 0 43 0 - 7.9-10.8 HE2 LYS 31 - HD3 LYS 36 far 0 82 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 100 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 81 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 77 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 100 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 75 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 98 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 74 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 82 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 100 0 - 8.6-36.9 HB3 ASN 121 - HD2 LYS 95 far 0 51 0 - 8.7-10.6 HE3 LYS 24 - HD3 LYS 19 far 0 98 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 72 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 80 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 59 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 96 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 72 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 80 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 63 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 100 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 98 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 63 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 99 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 99 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 100 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 315 from aliabs.peaks (4.27, 2.95, 41.80 ppm; 5.13 A increased from 4.56 A): 13 out of 98 assignments used, quality = 1.00: HA LYS 31 + HE2 LYS 31 OK 98 100 100 98 2.1-5.2 6.5=50, 822/3.7=34...(27) HA LYS 31 + HE3 LYS 31 OK 93 100 95 98 2.0-5.9 6.5=50, 822/3.7=34...(27) HA LYS 26 + HE3 LYS 26 OK 89 98 95 95 3.0-6.3 6.6=47, 627/3.6=28...(22) HA THR 25 + HE3 LYS 26 OK 76 81 100 94 3.5-5.7 9587=64, 11150/3.6=62...(7) HA LYS 36 + HE3 LYS 36 OK 74 93 80 99 5.0-6.5 6.0=64, 3.0/1064=39...(23) HA LYS 19 + HE3 LYS 19 OK 69 100 70 98 4.9-6.3 6.4=52, 271/3.8=29...(35) HA PHE 87 + HE3 LYS 86 OK 45 73 70 89 4.1-7.3 4.9/11332=40...(8) HA LYS 26 + HE2 LYS 26 OK 38 100 40 96 3.7-6.4 6.6=47, 627/3.6=28...(23) HA LYS 36 + HE2 LYS 36 OK 37 93 40 99 5.2-6.5 6.0=64, 3.0/1064=38...(23) * HA LYS 19 + HE2 LYS 19 OK 34 100 35 98 5.1-6.2 6.4=52, 271/3.8=29...(35) HA LEU 22 + HE2 LYS 24 OK 28 99 65 44 2.6-9.0 11967/4.0=14, 282/4.0=9...(8) HA LEU 22 + HE3 LYS 24 OK 28 92 65 47 3.2-7.5 11967/4.0=14...(8) HA THR 18 + HE3 LYS 19 OK 21 97 25 85 5.2-8.0 ~10696=44, ~10692=42...(7) HA ALA 15 - HE2 LYS 19 poor 20 99 20 - 3.3-12.8 HA ALA 28 - HE2 LYS 26 poor 19 64 30 - 4.7-9.5 HA THR 25 - HE2 LYS 26 poor 17 84 20 - 4.4-6.6 HA GLN 27 - HE2 LYS 26 poor 14 72 20 - 2.1-8.9 HA ALA 21 - HE2 LYS 24 poor 14 72 20 - 4.2-11.2 HA GLN 27 - HE3 LYS 26 poor 14 69 20 - 2.9-8.6 HA ALA 21 - HE3 LYS 24 poor 13 64 20 - 3.4-10.6 HA ARG 23 - HE2 LYS 24 far 10 98 10 - 5.3-8.2 HA ALA 15 - HE3 LYS 19 far 5 99 5 - 4.2-13.5 HA ARG 23 - HE2 LYS 31 far 5 98 5 - 5.0-20.1 HA THR 18 - HE2 LYS 19 far 5 97 5 - 5.5-8.1 HA ARG 23 - HE3 LYS 26 far 5 96 5 - 5.5-9.8 HA LYS 19 - HE3 LYS 24 far 5 94 5 - 5.0-13.6 HA LYS 36 - HE2 LYS 26 far 5 94 5 - 4.3-11.5 HA ARG 23 - HE3 LYS 24 far 5 92 5 - 4.4-8.2 HA SER 74 - HE3 LYS 19 far 4 89 5 - 5.2-36.6 HA ALA 28 - HE3 LYS 26 far 3 61 5 - 5.1-9.5 HA ALA 16 - HE2 LYS 19 lone 3 100 40 7 2.4-9.8 11966/10705=1, 7131/7.3=1 HA ALA 16 - HE3 LYS 19 lone 2 100 35 7 2.8-10.3 7131/7.3=1 HA LYS 36 - HE3 LYS 26 far 0 91 0 - 5.8-13.1 HA ARG 23 - HE3 LYS 31 far 0 98 0 - 5.8-19.4 HA SER 74 - HE2 LYS 19 far 0 89 0 - 5.8-36.2 HA LYS 19 - HE2 LYS 24 far 0 100 0 - 5.8-13.5 HA ALA 12 - HE2 LYS 19 far 0 93 0 - 6.0-22.2 HA ALA 21 - HE3 LYS 86 far 0 46 0 - 6.1-29.7 HA ALA 12 - HE3 LYS 31 far 0 92 0 - 6.1-40.4 HA LYS 19 - HE3 LYS 31 far 0 100 0 - 6.3-26.2 HA LYS 31 - HE2 LYS 26 far 0 100 0 - 6.4-11.5 HA THR 25 - HE2 LYS 24 far 0 84 0 - 6.4-9.3 HA LEU 22 - HE3 LYS 26 far 0 97 0 - 6.5-14.0 HA ARG 23 - HE2 LYS 26 far 0 98 0 - 6.5-11.3 HA ALA 12 - HE3 LYS 19 far 0 93 0 - 6.5-22.7 HA ARG 84 - HE3 LYS 86 far 0 44 0 - 6.6-8.1 HA THR 25 - HE3 LYS 24 far 0 75 0 - 6.6-9.1 HA THR 18 - HE3 LYS 24 far 0 89 0 - 6.6-13.8 HA LYS 31 - HE3 LYS 26 far 0 98 0 - 6.8-12.3 HA ALA 16 - HE2 LYS 31 far 0 99 0 - 6.9-30.4 HA LEU 22 - HE2 LYS 26 far 0 99 0 - 6.9-15.6 HA ALA 12 - HE2 LYS 31 far 0 92 0 - 7.0-40.4 HA LYS 19 - HE2 LYS 31 far 0 100 0 - 7.1-26.6 HA ALA 21 - HE3 LYS 31 far 0 72 0 - 7.2-25.5 HA PHE 87 - HE3 LYS 19 far 0 100 0 - 7.2-42.2 HA LYS 31 - HE3 LYS 36 far 0 99 0 - 7.4-9.6 HA LYS 26 - HE3 LYS 31 far 0 100 0 - 7.5-15.0 HA SER 74 - HE3 LYS 86 far 0 58 0 - 7.5-9.7 HA THR 18 - HE2 LYS 24 far 0 97 0 - 7.6-15.0 HA LYS 31 - HE2 LYS 36 far 0 99 0 - 7.6-9.8 HA ALA 21 - HE3 LYS 19 far 0 73 0 - 7.6-10.3 HA LEU 22 - HE3 LYS 86 far 0 71 0 - 7.9-26.6 HA THR 18 - HE3 LYS 86 far 0 68 0 - 7.9-33.5 HA ALA 12 - HE3 LYS 86 far 0 63 0 - 8.1-39.4 HA THR 18 - HE3 LYS 26 far 0 94 0 - 8.2-19.3 HA LYS 26 - HE2 LYS 31 far 0 100 0 - 8.2-15.4 HA ALA 21 - HE2 LYS 31 far 0 72 0 - 8.2-26.1 HA THR 18 - HE3 LYS 31 far 0 97 0 - 8.3-28.4 HA ALA 16 - HE3 LYS 31 far 0 99 0 - 8.4-30.7 HA ALA 21 - HE3 LYS 26 far 0 69 0 - 8.4-15.9 HA ALA 15 - HE3 LYS 86 far 0 70 0 - 8.5-39.8 HA PHE 87 - HE2 LYS 19 far 0 100 0 - 8.5-42.1 HA LYS 26 - HE3 LYS 24 far 0 94 0 - 8.6-11.9 HA ALA 21 - HE2 LYS 19 far 0 73 0 - 8.7-10.4 HA LYS 31 - HE3 LYS 19 far 0 100 0 - 8.7-28.4 HA THR 25 - HE2 LYS 19 far 0 85 0 - 8.8-18.5 HA GLN 27 - HE2 LYS 19 far 0 73 0 - 8.8-22.4 HA THR 25 - HE3 LYS 19 far 0 85 0 - 8.8-18.9 HA THR 18 - HE2 LYS 26 far 0 97 0 - 9.0-20.9 HA ALA 21 - HE2 LYS 26 far 0 72 0 - 9.0-17.3 HA ALA 15 - HE2 LYS 31 far 0 98 0 - 9.0-31.5 HA LEU 22 - HE3 LYS 31 far 0 99 0 - 9.0-24.6 HA ARG 23 - HE3 LYS 19 far 0 99 0 - 9.0-13.3 HA LEU 22 - HE2 LYS 31 far 0 99 0 - 9.1-24.1 HA ARG 23 - HE2 LYS 19 far 0 99 0 - 9.2-14.1 HA LYS 26 - HE2 LYS 24 far 0 100 0 - 9.3-11.8 HA LYS 19 - HE3 LYS 86 far 0 73 0 - 9.3-33.7 HA ALA 16 - HE3 LYS 86 far 0 72 0 - 9.5-38.9 HA LEU 22 - HE3 LYS 19 far 0 99 0 - 9.5-13.0 HA LYS 19 - HE3 LYS 26 far 0 98 0 - 9.6-19.2 HA SER 74 - HE3 LYS 24 far 0 79 0 - 9.6-24.1 HA LYS 26 - HE2 LYS 19 far 0 100 0 - 9.6-18.3 HA ARG 84 - HE3 LYS 19 far 0 71 0 - 9.7-44.8 HA THR 18 - HE2 LYS 31 far 0 97 0 - 9.7-28.5 HA LEU 22 - HE2 LYS 19 far 0 99 0 - 9.9-12.7 HA SER 74 - HE3 LYS 26 far 0 84 0 - 9.9-17.7 HA ARG 84 - HE2 LYS 19 far 0 71 0 - 9.9-44.9 HA LYS 31 - HE2 LYS 19 far 0 100 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 316 from aliabs.peaks (1.74, 2.95, 41.80 ppm; 5.38 A): 10 out of 44 assignments used, quality = 1.00: HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.5-4.5 5.1=100 * HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.9-4.6 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-5.5 4.8=100 HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 3.0-5.1 4.8=100 HB2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 3.6-5.5 5.1=100 HB2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 4.2-5.5 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 3.5-5.0 4.8=100 HB2 LYS 24 + HE3 LYS 24 OK 94 94 100 100 2.2-5.4 5.1=100 HB ILE 80 + HE3 LYS 86 OK 70 70 100 100 2.0-5.4 ~11777=66, ~11877=65...(20) HG3 ARG 90 + HE3 LYS 86 OK 40 71 60 94 3.7-8.7 11303/9660=71...(6) HB2 LYS 31 - HE2 LYS 26 far 15 100 15 - 4.9-11.4 HB2 LYS 31 - HE3 LYS 26 far 10 98 10 - 4.4-12.1 HG3 ARG 90 - HE3 LYS 19 far 5 99 5 - 4.1-39.0 HG3 ARG 90 - HE2 LYS 19 far 5 99 5 - 4.9-38.8 HB2 ARG 23 - HE3 LYS 31 far 5 97 5 - 4.8-21.0 HB2 ARG 23 - HE2 LYS 31 far 5 97 5 - 4.8-21.9 HB2 ARG 23 - HE2 LYS 26 far 5 97 5 - 5.5-13.0 HB2 ARG 23 - HE2 LYS 24 far 5 97 5 - 5.6-10.2 HB2 ARG 23 - HE3 LYS 26 far 5 95 5 - 5.2-11.7 HB2 ARG 23 - HE3 LYS 24 far 0 90 0 - 6.2-9.9 HB2 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.4-27.0 HB ILE 80 - HE3 LYS 19 far 0 99 0 - 6.5-38.3 HB2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.6-15.7 HB2 LYS 19 - HE3 LYS 24 far 0 94 0 - 6.8-15.7 HB2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.8-15.8 HB2 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.3-27.4 HB2 LYS 24 - HE3 LYS 26 far 0 98 0 - 7.4-9.9 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 7.5-17.7 HB2 LYS 19 - HE2 LYS 24 far 0 100 0 - 7.8-15.4 HB2 LYS 24 - HE2 LYS 19 far 0 100 0 - 7.8-17.5 HB2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.9-25.8 HB2 ARG 23 - HE3 LYS 19 far 0 98 0 - 7.9-12.3 HB2 ARG 23 - HE3 LYS 86 far 0 69 0 - 8.0-27.8 HB ILE 80 - HE2 LYS 19 far 0 99 0 - 8.2-38.1 HB2 LYS 19 - HE3 LYS 86 far 0 73 0 - 8.3-35.8 HB2 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-10.9 HB2 LYS 31 - HE2 LYS 24 far 0 100 0 - 8.4-21.1 HB2 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.4-24.2 HB2 LYS 31 - HE3 LYS 36 far 0 99 0 - 8.4-11.9 HB2 ARG 23 - HE2 LYS 19 far 0 98 0 - 8.5-13.2 HB2 LYS 19 - HE3 LYS 26 far 0 98 0 - 8.5-20.9 HB2 LYS 31 - HE2 LYS 36 far 0 99 0 - 8.8-11.9 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.3-21.9 HB2 LYS 31 - HE3 LYS 24 far 0 94 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 317 from aliabs.peaks (1.81, 2.95, 41.80 ppm; 5.42 A): 12 out of 63 assignments used, quality = 1.00: HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 3.2-5.4 5.1=100 * HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 3.3-5.4 5.1=100 HB3 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.0-5.3 4.8=100 HB3 LYS 31 + HE3 LYS 31 OK 99 99 100 100 2.2-5.0 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.0 5.1=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 3.6-5.0 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.8-4.2 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.5-4.5 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 96 96 100 100 3.7-4.6 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 92 92 100 100 2.4-4.6 5.1=100 HB ILE 32 + HE2 LYS 26 OK 84 99 85 100 4.9-6.6 2.1/10766=79...(43) HB2 LYS 86 + HE3 LYS 86 OK 64 64 100 100 1.8-3.6 4.9=100 HB3 ARG 23 - HE2 LYS 26 far 10 96 10 - 4.6-12.5 HB3 LYS 19 - HE3 LYS 31 far 5 100 5 - 4.9-25.2 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 5.6-25.7 HB ILE 32 - HE3 LYS 26 far 5 98 5 - 4.6-7.5 HB3 LYS 31 - HE3 LYS 26 far 5 97 5 - 6.0-13.3 HB2 LYS 36 - HE2 LYS 26 far 5 97 5 - 5.4-11.8 HB3 ARG 23 - HE2 LYS 24 far 5 96 5 - 4.7-9.9 HB3 LYS 19 - HE3 LYS 24 far 5 94 5 - 5.6-14.9 HB3 ARG 23 - HE3 LYS 26 far 5 93 5 - 3.7-11.8 HB3 ARG 23 - HE3 LYS 24 far 0 88 0 - 6.1-9.9 HB3 ARG 23 - HE2 LYS 31 far 0 96 0 - 6.2-23.1 HB ILE 32 - HE2 LYS 31 far 0 99 0 - 6.3-10.3 HB3 LYS 31 - HE2 LYS 26 far 0 99 0 - 6.3-12.4 HB3 ARG 23 - HE3 LYS 31 far 0 96 0 - 6.4-22.1 HB3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-14.0 HB3 LYS 19 - HE2 LYS 24 far 0 100 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 48 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 73 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 99 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 73 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 99 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 95 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 94 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 81 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 98 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 99 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 81 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 96 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 97 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 76 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 95 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 98 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 52 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 75 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 67 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 99 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 99 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 99 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 97 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 99 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 72 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 99 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 97 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 67 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 76 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 66 0 - 9.9-24.5 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 81 assignments used, quality = 1.00: HG2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.1-4.1 3.8=100 * HG2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.8-3.7 3.8=100 HG2 LYS 24 + HE2 LYS 24 OK 99 99 100 100 2.1-4.1 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 3.1-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.1-4.1 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.3-3.8 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 93 93 100 100 2.0-3.4 3.6=100 HG2 LYS 24 + HE3 LYS 24 OK 92 92 100 100 2.0-4.2 4.0=100 HG3 LYS 31 + HE3 LYS 31 OK 91 91 100 100 2.0-4.0 3.7=100 HG3 LYS 31 + HE2 LYS 31 OK 91 91 100 100 2.1-4.2 3.7=100 QB ALA 15 - HE2 LYS 19 poor 19 97 20 - 3.9-11.9 QB ALA 15 - HE3 LYS 19 far 14 97 15 - 4.1-12.5 QB ALA 29 - HE2 LYS 26 far 10 98 10 - 3.3-7.6 QB ALA 29 - HE3 LYS 26 far 10 96 10 - 4.1-8.3 QB ALA 21 - HE2 LYS 24 far 7 72 10 - 4.7-9.7 QB ALA 21 - HE3 LYS 24 far 6 64 10 - 4.5-9.2 HG2 LYS 19 - HE3 LYS 31 far 5 100 5 - 4.6-26.0 QB ALA 12 - HE3 LYS 31 far 5 96 5 - 3.6-33.9 QB ALA 12 - HE2 LYS 31 far 5 96 5 - 4.1-33.9 QB ALA 16 - HE2 LYS 31 far 4 80 5 - 3.9-25.9 QB ALA 21 - HE3 LYS 86 far 2 46 5 - 4.6-25.6 QB ALA 16 - HE2 LYS 19 lone 1 81 40 4 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 1 81 35 4 2.7-9.0 QB ALA 16 - HE3 LYS 31 far 0 80 0 - 5.2-26.1 QB ALA 21 - HE3 LYS 19 far 0 73 0 - 5.3-8.1 QB ALA 15 - HE3 LYS 86 far 0 67 0 - 5.8-32.2 QB ALA 21 - HE3 LYS 26 far 0 69 0 - 5.9-14.2 QB ALA 28 - HE2 LYS 26 far 0 92 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 91 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 88 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 89 0 - 6.1-9.5 QB ALA 21 - HE2 LYS 19 far 0 73 0 - 6.3-8.4 HG3 LYS 31 - HE3 LYS 36 far 0 90 0 - 6.3-11.5 QB ALA 12 - HE2 LYS 19 far 0 97 0 - 6.4-19.1 QB ALA 12 - HE3 LYS 19 far 0 97 0 - 6.5-19.6 HG2 LYS 19 - HE3 LYS 24 far 0 94 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 90 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 73 0 - 6.8-34.9 QB ALA 21 - HE2 LYS 26 far 0 72 0 - 6.9-15.6 QB ALA 29 - HE3 LYS 36 far 0 97 0 - 6.9-10.3 QB ALA 21 - HE3 LYS 31 far 0 72 0 - 6.9-22.6 QB ALA 29 - HE2 LYS 36 far 0 97 0 - 7.1-9.7 HG2 LYS 36 - HE2 LYS 26 far 0 97 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 98 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 93 0 - 7.5-22.4 QB ALA 29 - HE3 LYS 31 far 0 98 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 92 0 - 7.7-28.1 QB ALA 21 - HE2 LYS 31 far 0 72 0 - 7.8-22.6 QB ALA 28 - HE2 LYS 31 far 0 92 0 - 7.8-11.0 QB ALA 28 - HE3 LYS 24 far 0 84 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 100 0 - 8.0-15.1 QB ALA 28 - HE3 LYS 31 far 0 92 0 - 8.0-11.2 QB ALA 12 - HE3 LYS 86 far 0 67 0 - 8.1-32.9 HG3 LYS 31 - HE2 LYS 24 far 0 91 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 96 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 96 0 - 8.3-23.7 HG3 LYS 26 - HE3 LYS 31 far 0 96 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 92 0 - 8.6-26.5 HG2 LYS 24 - HE3 LYS 26 far 0 97 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 98 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 92 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 94 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 97 0 - 9.1-20.4 QB ALA 16 - HE2 LYS 24 far 0 80 0 - 9.1-18.0 QB ALA 15 - HE2 LYS 31 far 0 96 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 99 0 - 9.3-15.5 QB ALA 12 - HE2 LYS 36 far 0 95 0 - 9.4-36.4 QB ALA 16 - HE3 LYS 86 far 0 52 0 - 9.6-34.1 HG2 LYS 36 - HE2 LYS 31 far 0 97 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 99 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 99 0 - 9.7-15.4 QB ALA 12 - HE3 LYS 36 far 0 95 0 - 9.7-37.6 HG3 LYS 26 - HE3 LYS 19 far 0 97 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 95 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 82 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 99 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 88 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 96 0 - 9.9-12.6 HG2 LYS 24 - HE3 LYS 31 far 0 99 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 319 from aliabs.peaks (1.44, 2.95, 41.80 ppm; 4.67 A): 12 out of 56 assignments used, quality = 1.00: * HG3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-3.9 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.2-3.7 3.8=100 HG2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.7-4.1 3.6=100 HG3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.3-4.0 4.0=100 HG2 LYS 26 + HE3 LYS 26 OK 96 96 100 100 2.2-3.8 3.6=100 HG3 LYS 24 + HE3 LYS 24 OK 89 89 100 100 2.3-3.9 4.0=100 HG2 LYS 31 + HE3 LYS 31 OK 84 84 100 100 2.0-4.2 3.7=100 HG2 LYS 31 + HE2 LYS 31 OK 84 84 100 100 2.1-4.0 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 79 79 100 100 2.0-3.5 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 79 79 100 100 2.0-3.5 4.0=100 HG13 ILE 32 + HE2 LYS 26 OK 53 97 55 100 3.5-6.7 3.2/10766=60, ~10767=45...(40) HG2 LYS 86 + HE3 LYS 86 OK 46 46 100 100 2.5-3.7 3.7=100 HG13 ILE 32 - HE3 LYS 26 poor 19 95 20 - 4.5-7.4 QB ALA 34 - HE2 LYS 26 poor 15 75 65 31 3.1-7.1 908/10766=25, 6364/876=4...(4) HG3 LYS 19 - HE3 LYS 31 far 5 100 5 - 4.4-25.7 QB ALA 34 - HE3 LYS 26 lone 2 72 30 11 4.0-7.8 908/10766=6, 6364/865=2...(4) HG3 LYS 19 - HE2 LYS 31 far 0 100 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 73 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 81 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 84 0 - 6.5-13.4 HG2 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.6-15.6 HG13 ILE 32 - HE2 LYS 31 far 0 97 0 - 6.7-10.1 HG2 LYS 86 - HE3 LYS 19 far 0 73 0 - 6.8-38.5 HG13 ILE 32 - HE3 LYS 31 far 0 97 0 - 6.9-10.1 HG2 LYS 26 - HE3 LYS 31 far 0 98 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 94 0 - 7.0-15.8 HG3 LYS 36 - HE2 LYS 26 far 0 80 0 - 7.1-13.4 QB ALA 34 - HE2 LYS 19 far 0 76 0 - 7.3-24.1 HG3 LYS 19 - HE3 LYS 26 far 0 98 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 83 0 - 7.4-12.4 QB ALA 34 - HE2 LYS 31 far 0 75 0 - 7.5-11.5 HG3 LYS 19 - HE2 LYS 26 far 0 100 0 - 7.6-21.0 QB ALA 34 - HE3 LYS 36 far 0 74 0 - 7.6-8.5 HG2 LYS 31 - HE3 LYS 19 far 0 85 0 - 7.7-26.4 QB ALA 34 - HE2 LYS 36 far 0 74 0 - 7.9-8.4 HG2 LYS 31 - HE2 LYS 36 far 0 83 0 - 8.0-11.8 QB ALA 34 - HE3 LYS 31 far 0 75 0 - 8.0-12.3 HG2 LYS 86 - HE2 LYS 19 far 0 73 0 - 8.4-38.3 HG2 LYS 31 - HE2 LYS 19 far 0 85 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 100 0 - 8.4-15.9 QB ALA 34 - HE3 LYS 19 far 0 76 0 - 8.5-24.4 HG3 LYS 24 - HE3 LYS 19 far 0 97 0 - 8.6-17.0 QB ALA 34 - HE3 LYS 86 far 0 48 0 - 8.7-11.0 HG3 LYS 36 - HE3 LYS 26 far 0 76 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 80 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 84 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 97 0 - 9.0-11.0 HG3 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 94 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 97 0 - 9.4-11.1 QB ALA 92 - HE3 LYS 86 far 0 70 0 - 9.6-11.3 HG3 LYS 24 - HE2 LYS 26 far 0 97 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 80 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 68 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.8-14.5 QB ALA 34 - HE3 LYS 24 far 0 66 0 - 9.9-15.9 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 81 assignments used, quality = 1.00: HD2 LYS 19 + HE3 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 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.3-3.0 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 2.3-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 97 97 100 100 2.2-2.9 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 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 95 95 100 100 2.5-3.0 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 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 94 94 100 100 2.4-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 92 92 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 88 88 100 100 2.3-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.8-3.0 3.0=100 HG LEU 22 - HE2 LYS 24 poor 15 59 25 - 2.6-11.7 HG LEU 22 - HE3 LYS 24 poor 13 52 25 - 2.4-10.4 HD3 LYS 86 - HE3 LYS 19 far 0 100 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 99 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 96 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 95 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 97 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 95 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 99 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 95 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 95 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 64 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 95 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 64 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 97 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 96 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 97 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 96 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 92 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 73 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 98 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 68 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 94 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 96 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 73 0 - 8.6-36.9 HG LEU 22 - HE3 LYS 26 far 0 56 0 - 8.6-15.6 HG LEU 22 - HE2 LYS 26 far 0 59 0 - 8.7-16.5 HD3 LYS 19 - HE3 LYS 24 far 0 94 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 97 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 93 0 - 9.0-13.8 HG LEU 22 - HE2 LYS 19 far 0 60 0 - 9.1-13.9 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 9.1-12.4 HG LEU 22 - HE3 LYS 31 far 0 59 0 - 9.1-26.2 HG2 ARG 84 - HE3 LYS 19 far 0 95 0 - 9.2-45.2 HG LEU 22 - HE3 LYS 19 far 0 60 0 - 9.3-14.2 HD2 LYS 26 - HE2 LYS 36 far 0 97 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 93 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 94 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 100 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 95 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 94 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 100 0 - 9.9-17.4 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 90 assignments used, quality = 1.00: HD3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 * HD3 LYS 19 + HE2 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 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 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 2.3-3.0 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 2.3-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.2-2.9 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 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 93 93 100 100 2.5-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 93 93 100 100 2.3-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 92 92 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 92 92 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 92 92 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 89 89 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 85 85 100 100 2.3-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 70 70 100 100 2.8-3.0 3.0=100 HG LEU 22 - HE2 LYS 24 poor 16 64 25 - 2.6-11.7 HG LEU 22 - HE3 LYS 24 poor 14 57 25 - 2.4-10.4 HG3 ARG 23 - HE2 LYS 26 far 3 62 5 - 3.7-14.0 HG3 ARG 23 - HE3 LYS 26 far 3 59 5 - 3.3-12.6 HG3 ARG 23 - HE3 LYS 24 far 3 54 5 - 4.3-9.9 HG3 ARG 23 - HE2 LYS 24 far 0 62 0 - 4.9-10.6 HD3 LYS 86 - HE3 LYS 19 far 0 100 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 99 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 99 0 - 5.6-26.9 HG3 ARG 23 - HE2 LYS 31 far 0 62 0 - 5.6-22.2 HD3 LYS 31 - HE3 LYS 19 far 0 97 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.2-37.3 HG3 ARG 23 - HE3 LYS 31 far 0 62 0 - 6.2-22.3 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 92 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 96 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 92 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 99 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 92 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 92 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 67 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 98 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 92 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 61 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 96 0 - 7.5-13.2 HG3 ARG 23 - HE3 LYS 86 far 0 39 0 - 7.5-26.1 HD2 LYS 26 - HE2 LYS 31 far 0 96 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 94 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 96 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 94 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 89 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 73 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 97 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 70 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 94 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 94 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 73 0 - 8.6-36.9 HG LEU 22 - HE3 LYS 26 far 0 61 0 - 8.6-15.6 HG LEU 22 - HE2 LYS 26 far 0 64 0 - 8.7-16.5 HD3 LYS 19 - HE3 LYS 24 far 0 94 0 - 8.7-16.7 HG3 ARG 23 - HE3 LYS 19 far 0 63 0 - 8.8-14.2 HD2 LYS 26 - HE3 LYS 36 far 0 95 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 91 0 - 9.0-13.8 HG LEU 22 - HE2 LYS 19 far 0 65 0 - 9.1-13.9 HG3 ARG 23 - HE3 LYS 36 far 0 61 0 - 9.1-23.6 HD3 LYS 24 - HE3 LYS 26 far 0 97 0 - 9.1-12.4 HG LEU 22 - HE3 LYS 31 far 0 64 0 - 9.1-26.2 HG2 ARG 84 - HE3 LYS 19 far 0 97 0 - 9.2-45.2 HG LEU 22 - HE3 LYS 19 far 0 65 0 - 9.3-14.2 HD2 LYS 26 - HE2 LYS 36 far 0 95 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 91 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 92 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 100 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 97 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 100 0 - 9.9-17.4 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; 5.13 A increased from 4.56 A): 13 out of 98 assignments used, quality = 1.00: HA LYS 31 + HE2 LYS 31 OK 98 100 100 98 2.1-5.2 6.5=50, 822/3.7=34...(27) HA LYS 31 + HE3 LYS 31 OK 93 100 95 98 2.0-5.9 6.5=50, 822/3.7=34...(27) HA LYS 26 + HE3 LYS 26 OK 89 98 95 95 3.0-6.3 6.6=47, 627/3.6=28...(22) HA THR 25 + HE3 LYS 26 OK 76 81 100 94 3.5-5.7 9587=64, 11150/3.6=62...(7) HA LYS 36 + HE3 LYS 36 OK 74 93 80 99 5.0-6.5 6.0=64, 3.0/1064=39...(23) * HA LYS 19 + HE3 LYS 19 OK 69 100 70 98 4.9-6.3 6.4=52, 271/3.8=29...(35) HA PHE 87 + HE3 LYS 86 OK 45 73 70 89 4.1-7.3 4.9/11332=40...(8) HA LYS 26 + HE2 LYS 26 OK 38 100 40 96 3.7-6.4 6.6=47, 627/3.6=28...(23) HA LYS 36 + HE2 LYS 36 OK 37 93 40 99 5.2-6.5 6.0=64, 3.0/1064=38...(23) HA LYS 19 + HE2 LYS 19 OK 34 100 35 98 5.1-6.2 6.4=52, 271/3.8=29...(35) HA LEU 22 + HE2 LYS 24 OK 28 99 65 44 2.6-9.0 11967/4.0=14, 282/4.0=9...(8) HA LEU 22 + HE3 LYS 24 OK 28 92 65 47 3.2-7.5 11967/4.0=14...(8) HA THR 18 + HE3 LYS 19 OK 21 97 25 85 5.2-8.0 ~10696=44, ~10692=42...(7) HA ALA 15 - HE2 LYS 19 poor 20 99 20 - 3.3-12.8 HA ALA 28 - HE2 LYS 26 poor 19 64 30 - 4.7-9.5 HA THR 25 - HE2 LYS 26 poor 17 84 20 - 4.4-6.6 HA GLN 27 - HE2 LYS 26 poor 14 72 20 - 2.1-8.9 HA ALA 21 - HE2 LYS 24 poor 14 72 20 - 4.2-11.2 HA GLN 27 - HE3 LYS 26 poor 14 69 20 - 2.9-8.6 HA ALA 21 - HE3 LYS 24 poor 13 64 20 - 3.4-10.6 HA ARG 23 - HE2 LYS 24 far 10 98 10 - 5.3-8.2 HA ALA 15 - HE3 LYS 19 far 5 99 5 - 4.2-13.5 HA ARG 23 - HE2 LYS 31 far 5 98 5 - 5.0-20.1 HA THR 18 - HE2 LYS 19 far 5 97 5 - 5.5-8.1 HA ARG 23 - HE3 LYS 26 far 5 96 5 - 5.5-9.8 HA LYS 19 - HE3 LYS 24 far 5 94 5 - 5.0-13.6 HA LYS 36 - HE2 LYS 26 far 5 94 5 - 4.3-11.5 HA ARG 23 - HE3 LYS 24 far 5 92 5 - 4.4-8.2 HA SER 74 - HE3 LYS 19 far 4 89 5 - 5.2-36.6 HA ALA 28 - HE3 LYS 26 far 3 61 5 - 5.1-9.5 HA ALA 16 - HE2 LYS 19 lone 3 100 40 7 2.4-9.8 11966/10705=1, 7131/7.3=1 HA ALA 16 - HE3 LYS 19 lone 2 100 35 7 2.8-10.3 7131/7.3=1 HA LYS 36 - HE3 LYS 26 far 0 91 0 - 5.8-13.1 HA ARG 23 - HE3 LYS 31 far 0 98 0 - 5.8-19.4 HA SER 74 - HE2 LYS 19 far 0 89 0 - 5.8-36.2 HA LYS 19 - HE2 LYS 24 far 0 100 0 - 5.8-13.5 HA ALA 12 - HE2 LYS 19 far 0 93 0 - 6.0-22.2 HA ALA 21 - HE3 LYS 86 far 0 46 0 - 6.1-29.7 HA ALA 12 - HE3 LYS 31 far 0 92 0 - 6.1-40.4 HA LYS 19 - HE3 LYS 31 far 0 100 0 - 6.3-26.2 HA LYS 31 - HE2 LYS 26 far 0 100 0 - 6.4-11.5 HA THR 25 - HE2 LYS 24 far 0 84 0 - 6.4-9.3 HA LEU 22 - HE3 LYS 26 far 0 97 0 - 6.5-14.0 HA ARG 23 - HE2 LYS 26 far 0 98 0 - 6.5-11.3 HA ALA 12 - HE3 LYS 19 far 0 93 0 - 6.5-22.7 HA ARG 84 - HE3 LYS 86 far 0 44 0 - 6.6-8.1 HA THR 25 - HE3 LYS 24 far 0 75 0 - 6.6-9.1 HA THR 18 - HE3 LYS 24 far 0 89 0 - 6.6-13.8 HA LYS 31 - HE3 LYS 26 far 0 98 0 - 6.8-12.3 HA ALA 16 - HE2 LYS 31 far 0 99 0 - 6.9-30.4 HA LEU 22 - HE2 LYS 26 far 0 99 0 - 6.9-15.6 HA ALA 12 - HE2 LYS 31 far 0 92 0 - 7.0-40.4 HA LYS 19 - HE2 LYS 31 far 0 100 0 - 7.1-26.6 HA ALA 21 - HE3 LYS 31 far 0 72 0 - 7.2-25.5 HA PHE 87 - HE3 LYS 19 far 0 100 0 - 7.2-42.2 HA LYS 31 - HE3 LYS 36 far 0 99 0 - 7.4-9.6 HA LYS 26 - HE3 LYS 31 far 0 100 0 - 7.5-15.0 HA SER 74 - HE3 LYS 86 far 0 58 0 - 7.5-9.7 HA THR 18 - HE2 LYS 24 far 0 97 0 - 7.6-15.0 HA LYS 31 - HE2 LYS 36 far 0 99 0 - 7.6-9.8 HA ALA 21 - HE3 LYS 19 far 0 73 0 - 7.6-10.3 HA LEU 22 - HE3 LYS 86 far 0 71 0 - 7.9-26.6 HA THR 18 - HE3 LYS 86 far 0 68 0 - 7.9-33.5 HA ALA 12 - HE3 LYS 86 far 0 63 0 - 8.1-39.4 HA THR 18 - HE3 LYS 26 far 0 94 0 - 8.2-19.3 HA LYS 26 - HE2 LYS 31 far 0 100 0 - 8.2-15.4 HA ALA 21 - HE2 LYS 31 far 0 72 0 - 8.2-26.1 HA THR 18 - HE3 LYS 31 far 0 97 0 - 8.3-28.4 HA ALA 16 - HE3 LYS 31 far 0 99 0 - 8.4-30.7 HA ALA 21 - HE3 LYS 26 far 0 69 0 - 8.4-15.9 HA ALA 15 - HE3 LYS 86 far 0 70 0 - 8.5-39.8 HA PHE 87 - HE2 LYS 19 far 0 100 0 - 8.5-42.1 HA LYS 26 - HE3 LYS 24 far 0 94 0 - 8.6-11.9 HA ALA 21 - HE2 LYS 19 far 0 73 0 - 8.7-10.4 HA LYS 31 - HE3 LYS 19 far 0 100 0 - 8.7-28.4 HA THR 25 - HE2 LYS 19 far 0 85 0 - 8.8-18.5 HA GLN 27 - HE2 LYS 19 far 0 73 0 - 8.8-22.4 HA THR 25 - HE3 LYS 19 far 0 85 0 - 8.8-18.9 HA THR 18 - HE2 LYS 26 far 0 97 0 - 9.0-20.9 HA ALA 21 - HE2 LYS 26 far 0 72 0 - 9.0-17.3 HA ALA 15 - HE2 LYS 31 far 0 98 0 - 9.0-31.5 HA LEU 22 - HE3 LYS 31 far 0 99 0 - 9.0-24.6 HA ARG 23 - HE3 LYS 19 far 0 99 0 - 9.0-13.3 HA LEU 22 - HE2 LYS 31 far 0 99 0 - 9.1-24.1 HA ARG 23 - HE2 LYS 19 far 0 99 0 - 9.2-14.1 HA LYS 26 - HE2 LYS 24 far 0 100 0 - 9.3-11.8 HA LYS 19 - HE3 LYS 86 far 0 73 0 - 9.3-33.7 HA ALA 16 - HE3 LYS 86 far 0 72 0 - 9.5-38.9 HA LEU 22 - HE3 LYS 19 far 0 99 0 - 9.5-13.0 HA LYS 19 - HE3 LYS 26 far 0 98 0 - 9.6-19.2 HA SER 74 - HE3 LYS 24 far 0 79 0 - 9.6-24.1 HA LYS 26 - HE2 LYS 19 far 0 100 0 - 9.6-18.3 HA ARG 84 - HE3 LYS 19 far 0 71 0 - 9.7-44.8 HA THR 18 - HE2 LYS 31 far 0 97 0 - 9.7-28.5 HA LEU 22 - HE2 LYS 19 far 0 99 0 - 9.9-12.7 HA SER 74 - HE3 LYS 26 far 0 84 0 - 9.9-17.7 HA ARG 84 - HE2 LYS 19 far 0 71 0 - 9.9-44.9 HA LYS 31 - HE2 LYS 19 far 0 100 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 327 from aliabs.peaks (1.74, 2.95, 41.80 ppm; 5.38 A): 10 out of 44 assignments used, quality = 1.00: * HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.5-4.5 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.9-4.6 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-5.5 4.8=100 HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 3.0-5.1 4.8=100 HB2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 3.6-5.5 5.1=100 HB2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 4.2-5.5 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 3.5-5.0 4.8=100 HB2 LYS 24 + HE3 LYS 24 OK 94 94 100 100 2.2-5.4 5.1=100 HB ILE 80 + HE3 LYS 86 OK 70 70 100 100 2.0-5.4 ~11777=66, ~11877=65...(20) HG3 ARG 90 + HE3 LYS 86 OK 40 71 60 94 3.7-8.7 11303/9660=71...(6) HB2 LYS 31 - HE2 LYS 26 far 15 100 15 - 4.9-11.4 HB2 LYS 31 - HE3 LYS 26 far 10 98 10 - 4.4-12.1 HG3 ARG 90 - HE3 LYS 19 far 5 99 5 - 4.1-39.0 HG3 ARG 90 - HE2 LYS 19 far 5 99 5 - 4.9-38.8 HB2 ARG 23 - HE3 LYS 31 far 5 97 5 - 4.8-21.0 HB2 ARG 23 - HE2 LYS 31 far 5 97 5 - 4.8-21.9 HB2 ARG 23 - HE2 LYS 26 far 5 97 5 - 5.5-13.0 HB2 ARG 23 - HE2 LYS 24 far 5 97 5 - 5.6-10.2 HB2 ARG 23 - HE3 LYS 26 far 5 95 5 - 5.2-11.7 HB2 ARG 23 - HE3 LYS 24 far 0 90 0 - 6.2-9.9 HB2 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.4-27.0 HB ILE 80 - HE3 LYS 19 far 0 99 0 - 6.5-38.3 HB2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.6-15.7 HB2 LYS 19 - HE3 LYS 24 far 0 94 0 - 6.8-15.7 HB2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.8-15.8 HB2 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.3-27.4 HB2 LYS 24 - HE3 LYS 26 far 0 98 0 - 7.4-9.9 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 7.5-17.7 HB2 LYS 19 - HE2 LYS 24 far 0 100 0 - 7.8-15.4 HB2 LYS 24 - HE2 LYS 19 far 0 100 0 - 7.8-17.5 HB2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.9-25.8 HB2 ARG 23 - HE3 LYS 19 far 0 98 0 - 7.9-12.3 HB2 ARG 23 - HE3 LYS 86 far 0 69 0 - 8.0-27.8 HB ILE 80 - HE2 LYS 19 far 0 99 0 - 8.2-38.1 HB2 LYS 19 - HE3 LYS 86 far 0 73 0 - 8.3-35.8 HB2 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-10.9 HB2 LYS 31 - HE2 LYS 24 far 0 100 0 - 8.4-21.1 HB2 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.4-24.2 HB2 LYS 31 - HE3 LYS 36 far 0 99 0 - 8.4-11.9 HB2 ARG 23 - HE2 LYS 19 far 0 98 0 - 8.5-13.2 HB2 LYS 19 - HE3 LYS 26 far 0 98 0 - 8.5-20.9 HB2 LYS 31 - HE2 LYS 36 far 0 99 0 - 8.8-11.9 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.3-21.9 HB2 LYS 31 - HE3 LYS 24 far 0 94 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 328 from aliabs.peaks (1.81, 2.95, 41.80 ppm; 5.42 A): 12 out of 63 assignments used, quality = 1.00: * HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 3.2-5.4 5.1=100 HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 3.3-5.4 5.1=100 HB3 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.0-5.3 4.8=100 HB3 LYS 31 + HE3 LYS 31 OK 99 99 100 100 2.2-5.0 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.0 5.1=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 3.6-5.0 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.8-4.2 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.5-4.5 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 96 96 100 100 3.7-4.6 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 92 92 100 100 2.4-4.6 5.1=100 HB ILE 32 + HE2 LYS 26 OK 84 99 85 100 4.9-6.6 2.1/10766=79...(43) HB2 LYS 86 + HE3 LYS 86 OK 64 64 100 100 1.8-3.6 4.9=100 HB3 ARG 23 - HE2 LYS 26 far 10 96 10 - 4.6-12.5 HB3 LYS 19 - HE3 LYS 31 far 5 100 5 - 4.9-25.2 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 5.6-25.7 HB ILE 32 - HE3 LYS 26 far 5 98 5 - 4.6-7.5 HB3 LYS 31 - HE3 LYS 26 far 5 97 5 - 6.0-13.3 HB2 LYS 36 - HE2 LYS 26 far 5 97 5 - 5.4-11.8 HB3 ARG 23 - HE2 LYS 24 far 5 96 5 - 4.7-9.9 HB3 LYS 19 - HE3 LYS 24 far 5 94 5 - 5.6-14.9 HB3 ARG 23 - HE3 LYS 26 far 5 93 5 - 3.7-11.8 HB3 ARG 23 - HE3 LYS 24 far 0 88 0 - 6.1-9.9 HB3 ARG 23 - HE2 LYS 31 far 0 96 0 - 6.2-23.1 HB ILE 32 - HE2 LYS 31 far 0 99 0 - 6.3-10.3 HB3 LYS 31 - HE2 LYS 26 far 0 99 0 - 6.3-12.4 HB3 ARG 23 - HE3 LYS 31 far 0 96 0 - 6.4-22.1 HB3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-14.0 HB3 LYS 19 - HE2 LYS 24 far 0 100 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 48 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 73 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 99 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 73 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 99 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 95 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 94 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 81 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 98 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 99 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 81 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 96 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 97 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 76 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 95 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 98 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 52 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 75 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 67 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 99 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 99 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 99 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 97 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 99 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 72 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 99 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 97 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 67 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 76 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 66 0 - 9.9-24.5 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 81 assignments used, quality = 1.00: * HG2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.1-4.1 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.8-3.7 3.8=100 HG2 LYS 24 + HE2 LYS 24 OK 99 99 100 100 2.1-4.1 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 3.1-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.1-4.1 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.3-3.8 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 93 93 100 100 2.0-3.4 3.6=100 HG2 LYS 24 + HE3 LYS 24 OK 92 92 100 100 2.0-4.2 4.0=100 HG3 LYS 31 + HE3 LYS 31 OK 91 91 100 100 2.0-4.0 3.7=100 HG3 LYS 31 + HE2 LYS 31 OK 91 91 100 100 2.1-4.2 3.7=100 QB ALA 15 - HE2 LYS 19 poor 19 97 20 - 3.9-11.9 QB ALA 15 - HE3 LYS 19 far 14 97 15 - 4.1-12.5 QB ALA 29 - HE2 LYS 26 far 10 98 10 - 3.3-7.6 QB ALA 29 - HE3 LYS 26 far 10 96 10 - 4.1-8.3 QB ALA 21 - HE2 LYS 24 far 7 72 10 - 4.7-9.7 QB ALA 21 - HE3 LYS 24 far 6 64 10 - 4.5-9.2 HG2 LYS 19 - HE3 LYS 31 far 5 100 5 - 4.6-26.0 QB ALA 12 - HE3 LYS 31 far 5 96 5 - 3.6-33.9 QB ALA 12 - HE2 LYS 31 far 5 96 5 - 4.1-33.9 QB ALA 16 - HE2 LYS 31 far 4 80 5 - 3.9-25.9 QB ALA 21 - HE3 LYS 86 far 2 46 5 - 4.6-25.6 QB ALA 16 - HE2 LYS 19 lone 1 81 40 4 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 1 81 35 4 2.7-9.0 QB ALA 16 - HE3 LYS 31 far 0 80 0 - 5.2-26.1 QB ALA 21 - HE3 LYS 19 far 0 73 0 - 5.3-8.1 QB ALA 15 - HE3 LYS 86 far 0 67 0 - 5.8-32.2 QB ALA 21 - HE3 LYS 26 far 0 69 0 - 5.9-14.2 QB ALA 28 - HE2 LYS 26 far 0 92 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 91 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 88 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 89 0 - 6.1-9.5 QB ALA 21 - HE2 LYS 19 far 0 73 0 - 6.3-8.4 HG3 LYS 31 - HE3 LYS 36 far 0 90 0 - 6.3-11.5 QB ALA 12 - HE2 LYS 19 far 0 97 0 - 6.4-19.1 QB ALA 12 - HE3 LYS 19 far 0 97 0 - 6.5-19.6 HG2 LYS 19 - HE3 LYS 24 far 0 94 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 90 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 73 0 - 6.8-34.9 QB ALA 21 - HE2 LYS 26 far 0 72 0 - 6.9-15.6 QB ALA 29 - HE3 LYS 36 far 0 97 0 - 6.9-10.3 QB ALA 21 - HE3 LYS 31 far 0 72 0 - 6.9-22.6 QB ALA 29 - HE2 LYS 36 far 0 97 0 - 7.1-9.7 HG2 LYS 36 - HE2 LYS 26 far 0 97 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 98 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 93 0 - 7.5-22.4 QB ALA 29 - HE3 LYS 31 far 0 98 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 92 0 - 7.7-28.1 QB ALA 21 - HE2 LYS 31 far 0 72 0 - 7.8-22.6 QB ALA 28 - HE2 LYS 31 far 0 92 0 - 7.8-11.0 QB ALA 28 - HE3 LYS 24 far 0 84 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 100 0 - 8.0-15.1 QB ALA 28 - HE3 LYS 31 far 0 92 0 - 8.0-11.2 QB ALA 12 - HE3 LYS 86 far 0 67 0 - 8.1-32.9 HG3 LYS 31 - HE2 LYS 24 far 0 91 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 96 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 96 0 - 8.3-23.7 HG3 LYS 26 - HE3 LYS 31 far 0 96 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 92 0 - 8.6-26.5 HG2 LYS 24 - HE3 LYS 26 far 0 97 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 98 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 92 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 94 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 97 0 - 9.1-20.4 QB ALA 16 - HE2 LYS 24 far 0 80 0 - 9.1-18.0 QB ALA 15 - HE2 LYS 31 far 0 96 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 99 0 - 9.3-15.5 QB ALA 12 - HE2 LYS 36 far 0 95 0 - 9.4-36.4 QB ALA 16 - HE3 LYS 86 far 0 52 0 - 9.6-34.1 HG2 LYS 36 - HE2 LYS 31 far 0 97 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 99 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 99 0 - 9.7-15.4 QB ALA 12 - HE3 LYS 36 far 0 95 0 - 9.7-37.6 HG3 LYS 26 - HE3 LYS 19 far 0 97 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 95 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 82 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 99 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 88 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 96 0 - 9.9-12.6 HG2 LYS 24 - HE3 LYS 31 far 0 99 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 330 from aliabs.peaks (1.44, 2.95, 41.80 ppm; 4.67 A): 12 out of 56 assignments used, quality = 1.00: HG3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-3.9 3.8=100 * HG3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.2-3.7 3.8=100 HG2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.7-4.1 3.6=100 HG3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.3-4.0 4.0=100 HG2 LYS 26 + HE3 LYS 26 OK 96 96 100 100 2.2-3.8 3.6=100 HG3 LYS 24 + HE3 LYS 24 OK 89 89 100 100 2.3-3.9 4.0=100 HG2 LYS 31 + HE3 LYS 31 OK 84 84 100 100 2.0-4.2 3.7=100 HG2 LYS 31 + HE2 LYS 31 OK 84 84 100 100 2.1-4.0 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 79 79 100 100 2.0-3.5 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 79 79 100 100 2.0-3.5 4.0=100 HG13 ILE 32 + HE2 LYS 26 OK 53 97 55 100 3.5-6.7 3.2/10766=60, ~10767=45...(40) HG2 LYS 86 + HE3 LYS 86 OK 46 46 100 100 2.5-3.7 3.7=100 HG13 ILE 32 - HE3 LYS 26 poor 19 95 20 - 4.5-7.4 QB ALA 34 - HE2 LYS 26 poor 15 75 65 31 3.1-7.1 908/10766=25, 6364/876=4...(4) HG3 LYS 19 - HE3 LYS 31 far 5 100 5 - 4.4-25.7 QB ALA 34 - HE3 LYS 26 lone 2 72 30 11 4.0-7.8 908/10766=6, 6364/865=2...(4) HG3 LYS 19 - HE2 LYS 31 far 0 100 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 73 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 81 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 84 0 - 6.5-13.4 HG2 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.6-15.6 HG13 ILE 32 - HE2 LYS 31 far 0 97 0 - 6.7-10.1 HG2 LYS 86 - HE3 LYS 19 far 0 73 0 - 6.8-38.5 HG13 ILE 32 - HE3 LYS 31 far 0 97 0 - 6.9-10.1 HG2 LYS 26 - HE3 LYS 31 far 0 98 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 94 0 - 7.0-15.8 HG3 LYS 36 - HE2 LYS 26 far 0 80 0 - 7.1-13.4 QB ALA 34 - HE2 LYS 19 far 0 76 0 - 7.3-24.1 HG3 LYS 19 - HE3 LYS 26 far 0 98 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 83 0 - 7.4-12.4 QB ALA 34 - HE2 LYS 31 far 0 75 0 - 7.5-11.5 HG3 LYS 19 - HE2 LYS 26 far 0 100 0 - 7.6-21.0 QB ALA 34 - HE3 LYS 36 far 0 74 0 - 7.6-8.5 HG2 LYS 31 - HE3 LYS 19 far 0 85 0 - 7.7-26.4 QB ALA 34 - HE2 LYS 36 far 0 74 0 - 7.9-8.4 HG2 LYS 31 - HE2 LYS 36 far 0 83 0 - 8.0-11.8 QB ALA 34 - HE3 LYS 31 far 0 75 0 - 8.0-12.3 HG2 LYS 86 - HE2 LYS 19 far 0 73 0 - 8.4-38.3 HG2 LYS 31 - HE2 LYS 19 far 0 85 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 100 0 - 8.4-15.9 QB ALA 34 - HE3 LYS 19 far 0 76 0 - 8.5-24.4 HG3 LYS 24 - HE3 LYS 19 far 0 97 0 - 8.6-17.0 QB ALA 34 - HE3 LYS 86 far 0 48 0 - 8.7-11.0 HG3 LYS 36 - HE3 LYS 26 far 0 76 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 80 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 84 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 97 0 - 9.0-11.0 HG3 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 94 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 97 0 - 9.4-11.1 QB ALA 92 - HE3 LYS 86 far 0 70 0 - 9.6-11.3 HG3 LYS 24 - HE2 LYS 26 far 0 97 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 80 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 68 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 98 0 - 9.8-14.5 QB ALA 34 - HE3 LYS 24 far 0 66 0 - 9.9-15.9 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 81 assignments used, quality = 1.00: * HD2 LYS 19 + HE3 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 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.3-3.0 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 2.3-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 97 97 100 100 2.2-2.9 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 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 95 95 100 100 2.5-3.0 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 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 94 94 100 100 2.4-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 92 92 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 88 88 100 100 2.3-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.8-3.0 3.0=100 HG LEU 22 - HE2 LYS 24 poor 15 59 25 - 2.6-11.7 HG LEU 22 - HE3 LYS 24 poor 13 52 25 - 2.4-10.4 HD3 LYS 86 - HE3 LYS 19 far 0 100 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 99 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 96 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 95 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 97 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 95 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 99 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 95 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 95 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 64 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 95 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 64 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 97 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 96 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 97 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 96 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 92 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 73 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 98 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 68 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 94 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 96 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 73 0 - 8.6-36.9 HG LEU 22 - HE3 LYS 26 far 0 56 0 - 8.6-15.6 HG LEU 22 - HE2 LYS 26 far 0 59 0 - 8.7-16.5 HD3 LYS 19 - HE3 LYS 24 far 0 94 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 97 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 93 0 - 9.0-13.8 HG LEU 22 - HE2 LYS 19 far 0 60 0 - 9.1-13.9 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 9.1-12.4 HG LEU 22 - HE3 LYS 31 far 0 59 0 - 9.1-26.2 HG2 ARG 84 - HE3 LYS 19 far 0 95 0 - 9.2-45.2 HG LEU 22 - HE3 LYS 19 far 0 60 0 - 9.3-14.2 HD2 LYS 26 - HE2 LYS 36 far 0 97 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 93 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 94 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 100 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 95 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 94 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 100 0 - 9.9-17.4 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 90 assignments used, quality = 1.00: * HD3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 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 2.3-3.0 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 2.3-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.2-2.9 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 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 93 93 100 100 2.5-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 93 93 100 100 2.3-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 92 92 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 92 92 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 92 92 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 89 89 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 85 85 100 100 2.3-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 70 70 100 100 2.8-3.0 3.0=100 HG LEU 22 - HE2 LYS 24 poor 16 64 25 - 2.6-11.7 HG LEU 22 - HE3 LYS 24 poor 14 57 25 - 2.4-10.4 HG3 ARG 23 - HE2 LYS 26 far 3 62 5 - 3.7-14.0 HG3 ARG 23 - HE3 LYS 26 far 3 59 5 - 3.3-12.6 HG3 ARG 23 - HE3 LYS 24 far 3 54 5 - 4.3-9.9 HG3 ARG 23 - HE2 LYS 24 far 0 62 0 - 4.9-10.6 HD3 LYS 86 - HE3 LYS 19 far 0 100 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 99 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 99 0 - 5.6-26.9 HG3 ARG 23 - HE2 LYS 31 far 0 62 0 - 5.6-22.2 HD3 LYS 31 - HE3 LYS 19 far 0 97 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.2-37.3 HG3 ARG 23 - HE3 LYS 31 far 0 62 0 - 6.2-22.3 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 92 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 96 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 92 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 99 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 92 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 92 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 67 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 98 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 92 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 61 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 96 0 - 7.5-13.2 HG3 ARG 23 - HE3 LYS 86 far 0 39 0 - 7.5-26.1 HD2 LYS 26 - HE2 LYS 31 far 0 96 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 94 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 96 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 94 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 89 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 73 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 97 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 70 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 94 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 94 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 73 0 - 8.6-36.9 HG LEU 22 - HE3 LYS 26 far 0 61 0 - 8.6-15.6 HG LEU 22 - HE2 LYS 26 far 0 64 0 - 8.7-16.5 HD3 LYS 19 - HE3 LYS 24 far 0 94 0 - 8.7-16.7 HG3 ARG 23 - HE3 LYS 19 far 0 63 0 - 8.8-14.2 HD2 LYS 26 - HE3 LYS 36 far 0 95 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 91 0 - 9.0-13.8 HG LEU 22 - HE2 LYS 19 far 0 65 0 - 9.1-13.9 HG3 ARG 23 - HE3 LYS 36 far 0 61 0 - 9.1-23.6 HD3 LYS 24 - HE3 LYS 26 far 0 97 0 - 9.1-12.4 HG LEU 22 - HE3 LYS 31 far 0 64 0 - 9.1-26.2 HG2 ARG 84 - HE3 LYS 19 far 0 97 0 - 9.2-45.2 HG LEU 22 - HE3 LYS 19 far 0 65 0 - 9.3-14.2 HD2 LYS 26 - HE2 LYS 36 far 0 95 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 91 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 92 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 100 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 97 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 92 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 100 0 - 9.9-17.4 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 84 92 95 96 2.4-4.7 3.1/9218=51, 1653=49...(11) QE MET 11 - HB2 SER 124 far 3 63 5 - 4.4-42.9 HB2 GLU 55 - HB3 SER 51 far 0 69 0 - 6.1-9.0 HB3 LEU 53 - HB3 SER 51 far 0 71 0 - 6.7-8.3 HB3 GLU 30 - HA VAL 20 far 0 97 0 - 7.5-21.4 HB3 MET 11 - HA VAL 20 far 0 96 0 - 8.1-24.9 HB2 PRO 81 - HA VAL 20 far 0 34 0 - 8.6-32.5 HB2 GLU 44 - HB3 SER 51 far 0 49 0 - 9.0-10.8 HB3 LEU 53 - HB2 SER 124 far 0 98 0 - 9.0-9.8 QE MET 11 - HA VAL 20 far 0 65 0 - 9.2-24.0 HG2 ARG 90 - HA VAL 20 far 0 78 0 - 9.3-32.4 HB ILE 129 - HB2 SER 124 far 0 99 0 - 9.3-10.9 HB3 PRO 117 - HB2 SER 124 far 0 98 0 - 9.3-10.2 HB3 MET 11 - HB2 SER 124 far 0 94 0 - 9.6-49.6 HB ILE 129 - HA SER 50 far 0 94 0 - 9.7-10.4 HG2 PRO 56 - HB3 SER 51 far 0 71 0 - 9.9-12.5 HB2 GLU 55 - HA SER 50 far 0 90 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 339 from aliabs.peaks (0.91, 3.99, 62.40 ppm; 3.26 A): 4 out of 23 assignments used, quality = 1.00: * QG1 VAL 20 + HA VAL 20 OK 100 100 100 100 2.6-3.2 3.2=100 QG2 VAL 20 + HA VAL 20 OK 92 92 100 100 2.1-2.5 3.2=100 QD1 LEU 123 + HA SER 50 OK 79 80 100 99 1.8-2.2 11874=83, 2.1/11636=54...(20) QD2 LEU 123 + HA SER 50 OK 58 60 100 96 2.8-3.5 2.1/11874=67, 11636=40...(19) QD2 LEU 48 - HB3 SER 51 far 0 65 0 - 4.2-5.1 QD1 LEU 123 - HB2 SER 124 far 0 86 0 - 5.1-5.6 QD1 LEU 49 - HA SER 50 far 0 94 0 - 5.3-5.9 QD1 LEU 22 - HA VAL 20 far 0 81 0 - 5.4-7.1 QD2 LEU 123 - HB2 SER 124 far 0 66 0 - 5.7-6.5 QD1 LEU 62 - HA SER 50 far 0 94 0 - 6.1-6.8 QD1 LEU 123 - HB3 SER 51 far 0 59 0 - 6.2-7.6 QD1 LEU 48 - HB3 SER 51 far 0 74 0 - 6.4-6.8 QD1 LEU 49 - HB3 SER 51 far 0 73 0 - 6.5-8.1 QD2 LEU 123 - HB3 SER 51 far 0 43 0 - 6.8-7.7 QD2 LEU 48 - HA SER 50 far 0 86 0 - 7.7-7.9 QG1 VAL 118 - HB2 SER 124 far 0 90 0 - 8.2-9.0 QD1 LEU 62 - HB3 SER 51 far 0 73 0 - 8.3-9.1 QD1 LEU 48 - HA SER 50 far 0 95 0 - 8.5-8.7 QD2 LEU 98 - HB2 SER 124 far 0 66 0 - 9.0-11.1 QD1 LEU 62 - HB2 SER 124 far 0 99 0 - 9.0-10.6 QG1 VAL 118 - HA SER 50 far 0 83 0 - 9.4-10.4 QD1 LEU 119 - HA SER 50 far 0 50 0 - 9.4-10.0 QD1 LEU 49 - HB2 SER 124 far 0 99 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 340 from aliabs.peaks (0.89, 3.99, 62.40 ppm; 3.26 A): 3 out of 21 assignments used, quality = 1.00: * QG2 VAL 20 + HA VAL 20 OK 100 100 100 100 2.1-2.5 3.2=100 QG1 VAL 20 + HA VAL 20 OK 92 92 100 100 2.6-3.2 3.2=100 QD2 LEU 123 + HA SER 50 OK 88 89 100 99 2.8-3.5 11636=69, 2.1/11874=67...(20) QD2 LEU 48 - HB3 SER 51 far 0 74 0 - 4.2-5.1 QD1 LEU 49 - HA SER 50 far 0 76 0 - 5.3-5.9 QD1 LEU 22 - HA VAL 20 far 0 99 0 - 5.4-7.1 QD2 LEU 123 - HB2 SER 124 far 0 95 0 - 5.7-6.5 QD1 LEU 62 - HA SER 50 far 0 74 0 - 6.1-6.8 QD1 LEU 48 - HB3 SER 51 far 0 61 0 - 6.4-6.8 QD1 LEU 49 - HB3 SER 51 far 0 56 0 - 6.5-8.1 QD2 LEU 123 - HB3 SER 51 far 0 68 0 - 6.8-7.7 QD2 LEU 69 - HA SER 50 far 0 57 0 - 6.9-7.5 QD2 LEU 69 - HB3 SER 51 far 0 41 0 - 7.6-8.9 QD2 LEU 48 - HA SER 50 far 0 94 0 - 7.7-7.9 QG1 VAL 118 - HB2 SER 124 far 0 99 0 - 8.2-9.0 QD1 LEU 62 - HB3 SER 51 far 0 54 0 - 8.3-9.1 QD1 LEU 48 - HA SER 50 far 0 82 0 - 8.5-8.7 QD2 LEU 98 - HB2 SER 124 far 0 95 0 - 9.0-11.1 QD1 LEU 62 - HB2 SER 124 far 0 81 0 - 9.0-10.6 QG1 VAL 118 - HA SER 50 far 0 95 0 - 9.4-10.4 QD1 LEU 49 - HB2 SER 124 far 0 83 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 341 from aliabs.peaks (8.31, 3.99, 62.40 ppm; 4.73 A): 1 out of 4 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 - HB3 SER 51 far 0 66 0 - 5.5-6.6 H LEU 49 - HA SER 50 far 0 88 0 - 5.6-5.6 H SER 99 - HB2 SER 124 far 0 78 0 - 9.3-10.8 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 6 assignments used, quality = 1.00: * HA VAL 20 + HB VAL 20 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 91 - HB3 MET 11 far 0 36 0 - 5.9-40.7 HB3 SER 94 - HB3 MET 11 far 0 35 0 - 7.8-38.8 HA VAL 20 - HB3 MET 11 far 0 46 0 - 8.1-24.9 HA VAL 20 - HB2 PRO 81 far 0 31 0 - 8.6-32.5 HB2 SER 124 - HB3 MET 11 far 0 46 0 - 9.6-49.6 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 10 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 QG1 VAL 20 - HB3 MET 11 far 0 46 0 - 6.6-20.7 QD1 LEU 22 - HB VAL 20 far 0 81 0 - 7.2-8.7 QG2 VAL 20 - HB2 PRO 81 far 0 25 0 - 7.9-26.9 QG1 VAL 20 - HB2 PRO 81 far 0 31 0 - 8.0-29.3 QG2 VAL 20 - HB3 MET 11 far 0 38 0 - 8.0-21.7 QD1 LEU 22 - HB3 MET 11 far 0 31 0 - 8.8-24.7 QD2 LEU 98 - HB3 MET 11 far 0 25 0 - 9.0-32.8 QD2 LEU 98 - HB VAL 20 far 0 68 0 - 9.7-33.1 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 10 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 QG1 VAL 20 - HB3 MET 11 far 0 38 0 - 6.6-20.7 QD1 LEU 22 - HB VAL 20 far 0 99 0 - 7.2-8.7 QG2 VAL 20 - HB2 PRO 81 far 0 31 0 - 7.9-26.9 QG1 VAL 20 - HB2 PRO 81 far 0 25 0 - 8.0-29.3 QG2 VAL 20 - HB3 MET 11 far 0 46 0 - 8.0-21.7 QD1 LEU 22 - HB3 MET 11 far 0 44 0 - 8.8-24.7 QD2 LEU 98 - HB3 MET 11 far 0 41 0 - 9.0-32.8 QD2 LEU 98 - HB VAL 20 far 0 97 0 - 9.7-33.1 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 6 assignments used, quality = 1.00: * HA VAL 20 + QG1 VAL 20 OK 100 100 100 100 2.6-3.2 3.2=97, 3.0/6171=52...(12) HA VAL 20 + QG2 VAL 20 OK 56 56 100 100 2.1-2.5 3.2=97, 6176/4.3=34...(10) HA GLN 68 - QG2 VAL 20 far 0 50 0 - 7.9-26.5 HA GLU 91 - QG1 VAL 20 far 0 89 0 - 9.1-33.4 HA GLN 68 - QG1 VAL 20 far 0 96 0 - 9.3-28.0 HB3 SER 94 - QG2 VAL 20 far 0 43 0 - 9.6-30.1 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 13 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 - QG1 VAL 20 far 0 96 0 - 6.6-20.7 HG2 ARG 90 - QG1 VAL 20 far 0 78 0 - 6.9-29.1 HB3 GLU 30 - QG2 VAL 20 far 0 51 0 - 7.6-20.1 HB3 GLU 30 - QG1 VAL 20 far 0 97 0 - 7.7-20.1 QE MET 11 - QG1 VAL 20 far 0 65 0 - 7.8-18.3 HG2 ARG 90 - QG2 VAL 20 far 0 37 0 - 7.9-26.7 HB2 PRO 81 - QG1 VAL 20 far 0 34 0 - 8.0-29.3 HB3 MET 11 - QG2 VAL 20 far 0 50 0 - 8.0-21.7 HB2 GLU 91 - QG1 VAL 20 far 0 99 0 - 9.1-34.0 QE MET 11 - QG2 VAL 20 far 0 30 0 - 9.2-20.4 HG2 PRO 81 - QG1 VAL 20 far 0 99 0 - 9.6-30.4 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 6 assignments used, quality = 1.00: * HA VAL 20 + QG2 VAL 20 OK 100 100 100 100 2.1-2.5 3.2=100 HA VAL 20 + QG1 VAL 20 OK 56 56 100 100 2.6-3.2 3.2=100 HA GLN 68 - QG2 VAL 20 far 0 96 0 - 7.9-26.5 HA GLU 91 - QG1 VAL 20 far 0 44 0 - 9.1-33.4 HA GLN 68 - QG1 VAL 20 far 0 50 0 - 9.3-28.0 HB3 SER 94 - QG2 VAL 20 far 0 87 0 - 9.6-30.1 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 13 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 - QG1 VAL 20 far 0 50 0 - 6.6-20.7 HG2 ARG 90 - QG1 VAL 20 far 0 37 0 - 6.9-29.1 HB3 GLU 30 - QG2 VAL 20 far 0 97 0 - 7.6-20.1 HB3 GLU 30 - QG1 VAL 20 far 0 51 0 - 7.7-20.1 QE MET 11 - QG1 VAL 20 far 0 30 0 - 7.8-18.3 HG2 ARG 90 - QG2 VAL 20 far 0 78 0 - 7.9-26.7 HB2 PRO 81 - QG2 VAL 20 far 0 34 0 - 7.9-26.9 HB3 MET 11 - QG2 VAL 20 far 0 96 0 - 8.0-21.7 HB2 GLU 91 - QG1 VAL 20 far 0 54 0 - 9.1-34.0 QE MET 11 - QG2 VAL 20 far 0 65 0 - 9.2-20.4 HG2 PRO 81 - QG1 VAL 20 far 0 54 0 - 9.6-30.4 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 13 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 HG2 LYS 24 - HA ALA 21 far 0 57 0 - 3.3-8.9 HG2 LYS 19 - HA ALA 16 far 0 33 0 - 3.4-8.5 QB ALA 12 - HA ALA 15 far 0 65 0 - 4.3-10.0 QB ALA 21 - HA ALA 16 far 0 55 0 - 4.4-7.9 HG2 LYS 19 - HA ALA 15 far 0 46 0 - 5.5-11.6 QB ALA 12 - HA ALA 16 far 0 47 0 - 5.7-12.5 HG2 LYS 19 - HA ALA 21 far 0 73 0 - 6.3-6.9 HG2 LYS 19 - HA ALA 12 far 0 58 0 - 7.0-21.6 QB ALA 21 - HA ALA 15 far 0 73 0 - 7.2-10.4 QB ALA 21 - HA ALA 12 far 0 87 0 - 9.6-18.6 QB ALA 12 - HA ALA 21 far 0 95 0 - 10.0-19.8 Violated in 0 structures by 0.00 A. Peak 365 from aliabs.peaks (4.29, 1.35, 18.98 ppm; 2.50 A): 3 out of 23 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 THR 18 + QB ALA 21 OK 34 93 100 36 1.9-2.6 10686=20, 6180/6181=9...(4) HA LEU 22 - QB ALA 21 far 0 57 0 - 3.7-4.3 HA LYS 19 - QB ALA 21 far 0 73 0 - 4.3-5.3 HA ALA 15 - QB ALA 12 far 0 68 0 - 4.3-10.0 HA ALA 16 - QB ALA 21 far 0 85 0 - 4.4-7.9 HA PHE 87 - QB ALA 12 far 0 51 0 - 4.9-33.4 HA THR 25 - QB ALA 21 far 0 100 0 - 5.0-11.1 HA ALA 16 - QB ALA 12 far 0 63 0 - 5.7-12.5 HA LYS 31 - QB ALA 12 far 0 51 0 - 6.2-33.7 HA ARG 23 - QB ALA 21 far 0 89 0 - 6.2-6.8 HA THR 18 - QB ALA 12 far 0 71 0 - 7.0-17.2 HA PHE 87 - QB ALA 21 far 0 71 0 - 7.1-28.7 HA ALA 15 - QB ALA 21 far 0 90 0 - 7.2-10.4 HA LYS 26 - QB ALA 21 far 0 65 0 - 7.4-12.0 HA SER 74 - QB ALA 21 far 0 99 0 - 7.9-24.5 HA SER 74 - QB ALA 12 far 0 79 0 - 8.1-27.1 HA LYS 31 - QB ALA 21 far 0 71 0 - 8.4-21.0 HA TYR 76 - QB ALA 21 far 0 96 0 - 8.9-24.4 HA LYS 19 - QB ALA 12 far 0 53 0 - 9.1-20.2 HA ALA 12 - QB ALA 21 far 0 97 0 - 9.6-18.6 HA ALA 21 - QB ALA 12 far 0 82 0 - 10.0-19.8 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): 1 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 far 4 85 5 - 4.1-7.0 Violated in 0 structures by 0.00 A. Peak 371 from aliabs.peaks (1.62, 4.26, 54.88 ppm; 4.22 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 22 + HA LEU 22 OK 100 100 100 100 2.5-2.9 2.9=100 HG LEU 22 + HA LEU 22 OK 100 100 100 100 2.2-3.7 4.3=97, 2.1/401=95...(21) HG3 ARG 23 - HA LEU 22 far 5 100 5 - 4.7-7.4 Violated in 0 structures by 0.00 A. Peak 372 from aliabs.peaks (1.62, 4.26, 54.88 ppm; 4.21 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 22 + HA LEU 22 OK 100 100 100 100 2.2-3.7 4.3=96, 2.1/401=95...(21) HB3 LEU 22 + HA LEU 22 OK 100 100 100 100 2.5-2.9 2.9=100 HG3 ARG 23 - HA LEU 22 far 5 100 5 - 4.7-7.4 HD2 LYS 19 - HA LEU 22 far 0 60 0 - 8.6-11.0 HD3 LYS 19 - HA LEU 22 far 0 65 0 - 9.5-12.1 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 4 assignments used, quality = 1.00: * QD2 LEU 22 + HA LEU 22 OK 100 100 100 100 1.8-3.1 401=100, 2.1/374=74...(20) QG2 ILE 80 - HA LEU 22 far 0 68 0 - 8.1-24.3 QG2 ILE 32 - HA LEU 22 far 0 100 0 - 8.4-15.9 QD1 LEU 70 - HA LEU 22 far 0 60 0 - 9.4-24.6 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 3 assignments used, quality = 1.00: * QD1 LEU 22 + HA LEU 22 OK 100 100 100 100 1.9-3.5 4.0=100 QG2 VAL 20 - HA LEU 22 far 0 99 0 - 5.6-7.1 QG1 VAL 20 - HA LEU 22 far 0 81 0 - 6.3-7.9 Violated in 0 structures by 0.00 A. Peak 377 from aliabs.peaks (4.26, 1.54, 42.02 ppm; 3.42 A): 1 out of 13 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 far 5 95 5 - 3.8-5.5 HA LYS 19 - HB2 LEU 22 lone 0 99 25 1 3.3-7.4 HA THR 18 - HB2 LEU 22 far 0 90 0 - 4.5-9.2 HA ALA 28 - HB2 LEU 22 far 0 81 0 - 4.7-18.0 HA ALA 21 - HB2 LEU 22 far 0 57 0 - 5.4-6.3 HA LYS 26 - HB2 LEU 22 far 0 100 0 - 6.8-11.4 HA LYS 31 - HB2 LEU 22 far 0 100 0 - 7.2-21.7 HA GLN 27 - HB2 LEU 22 far 0 87 0 - 7.4-14.4 HA THR 25 - HB2 LEU 22 far 0 71 0 - 7.6-10.9 HA SER 74 - HB3 LEU 42 far 0 51 0 - 8.9-9.6 HA ALA 16 - HB2 LEU 22 far 0 97 0 - 9.4-14.5 HA LYS 36 - HB3 LEU 42 far 0 58 0 - 9.6-10.4 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 4 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 92 100 100 92 2.4-2.9 3.0=59, 371/2.9=13...(16) HG3 ARG 23 - HB2 LEU 22 far 0 100 0 - 4.7-7.9 HG LEU 43 - HB3 LEU 42 far 0 45 0 - 5.3-5.8 Violated in 0 structures by 0.00 A. Peak 380 from aliabs.peaks (1.62, 1.54, 42.02 ppm; 4.74 A): 2 out of 7 assignments used, quality = 1.00: * HG LEU 22 + HB2 LEU 22 OK 100 100 100 100 2.4-2.9 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 far 10 100 10 - 4.7-7.9 HG LEU 43 - HB3 LEU 42 far 5 53 10 - 5.3-5.8 HD2 LYS 19 - HB2 LEU 22 far 0 60 0 - 6.7-10.7 HB2 LEU 69 - HB3 LEU 42 far 0 39 0 - 7.4-8.2 HD3 LYS 19 - HB2 LEU 22 far 0 65 0 - 7.6-11.4 Violated in 0 structures by 0.00 A. Peak 381 from aliabs.peaks (0.84, 1.54, 42.02 ppm; 3.44 A): 1 out of 9 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 far 0 76 0 - 4.6-5.5 QG2 ILE 129 - HB3 LEU 42 far 0 62 0 - 5.5-6.5 QD2 LEU 69 - HB3 LEU 42 far 0 47 0 - 5.7-6.5 HG13 ILE 80 - HB3 LEU 42 far 0 39 0 - 6.9-8.2 QD2 LEU 70 - HB3 LEU 42 far 0 63 0 - 8.5-9.1 QG2 ILE 80 - HB3 LEU 42 far 0 45 0 - 8.8-9.7 QG2 ILE 32 - HB2 LEU 22 far 0 100 0 - 8.9-15.7 QD1 LEU 70 - HB3 LEU 42 far 0 39 0 - 9.3-10.1 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 6 assignments used, quality = 1.00: * QD1 LEU 22 + HB2 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 QG2 VAL 20 - HB2 LEU 22 far 0 99 0 - 5.2-7.7 QD2 LEU 69 - HB3 LEU 42 far 0 55 0 - 5.7-6.5 QG1 VAL 20 - HB2 LEU 22 far 0 81 0 - 6.1-7.5 QD1 LEU 49 - HB3 LEU 42 far 0 47 0 - 8.0-8.7 QD1 LEU 48 - HB3 LEU 42 far 0 53 0 - 8.7-9.5 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 13 assignments used, quality = 1.00: * HA LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.5-2.9 2.9=100 HA LYS 19 - HB3 LEU 22 poor 20 99 20 - 3.4-6.7 HA THR 18 - HB3 LEU 22 far 14 90 15 - 3.7-8.4 HA ARG 23 - HB3 LEU 22 far 0 95 0 - 4.2-6.1 HA ALA 21 - HB3 LEU 22 far 0 57 0 - 5.0-6.1 HA ALA 28 - HB3 LEU 22 far 0 81 0 - 5.7-19.5 HA GLN 27 - HB3 LEU 22 far 0 87 0 - 7.3-15.9 HA SER 124 - HB2 LEU 122 far 0 68 0 - 7.7-8.1 HA LYS 31 - HB3 LEU 22 far 0 100 0 - 7.8-22.9 HA LYS 26 - HB3 LEU 22 far 0 100 0 - 7.9-12.1 HA ALA 16 - HB3 LEU 22 far 0 97 0 - 8.7-14.0 HA THR 25 - HB3 LEU 22 far 0 71 0 - 9.0-11.4 HA SER 94 - HB2 LEU 122 far 0 56 0 - 9.1-11.3 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 HG LEU 49 - HB2 LEU 122 far 0 54 0 - 4.7-6.7 HG2 ARG 23 - HB3 LEU 22 far 0 85 0 - 5.4-8.4 HG LEU 69 - HB2 LEU 122 far 0 51 0 - 5.8-6.6 HB2 LEU 53 - HB2 LEU 122 far 0 66 0 - 6.2-9.3 HG LEU 123 - HB2 LEU 122 far 0 68 0 - 6.9-7.9 HB2 LEU 119 - HB2 LEU 122 far 0 93 0 - 7.0-7.8 HG LEU 103 - HB2 LEU 122 far 0 82 0 - 7.7-9.2 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): 1 out of 9 assignments used, quality = 1.00: * QD2 LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.2-3.2 3.1=100 QD2 LEU 70 - HB2 LEU 122 far 0 80 0 - 5.2-6.4 QD2 LEU 69 - HB2 LEU 122 far 0 61 0 - 5.9-6.8 QD1 LEU 70 - HB2 LEU 122 far 0 51 0 - 7.3-8.7 QG2 ILE 129 - HB2 LEU 122 far 0 79 0 - 8.0-8.8 QG2 VAL 57 - HB2 LEU 122 far 0 80 0 - 8.2-10.1 QD1 LEU 98 - HB2 LEU 122 far 0 77 0 - 8.9-10.7 QG2 ILE 80 - HB3 LEU 22 far 0 68 0 - 9.4-24.3 QG2 ILE 32 - HB3 LEU 22 far 0 100 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 390 from aliabs.peaks (0.89, 1.62, 42.02 ppm; 3.47 A): 1 out of 13 assignments used, quality = 1.00: * QD1 LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 49 - HB2 LEU 122 far 0 61 0 - 4.3-5.7 QD1 LEU 62 - HB2 LEU 122 far 0 59 0 - 4.8-6.8 QG1 VAL 118 - HB2 LEU 122 far 0 92 0 - 5.0-5.6 QG2 VAL 20 - HB3 LEU 22 far 0 99 0 - 5.3-7.5 QG1 VAL 20 - HB3 LEU 22 far 0 81 0 - 5.7-7.3 QD2 LEU 69 - HB2 LEU 122 far 0 70 0 - 5.9-6.8 QD2 LEU 123 - HB2 LEU 122 far 0 92 0 - 6.4-7.1 QG2 VAL 63 - HB2 LEU 122 far 0 66 0 - 6.7-7.6 QD2 LEU 98 - HB2 LEU 122 far 0 92 0 - 7.7-10.6 QD1 LEU 98 - HB2 LEU 122 far 0 54 0 - 8.9-10.7 QD1 LEU 48 - HB2 LEU 122 far 0 68 0 - 9.0-10.2 QD2 LEU 48 - HB2 LEU 122 far 0 90 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 393 from aliabs.peaks (4.26, 1.62, 26.83 ppm; 5.17 A): 5 out of 41 assignments used, quality = 1.00: * HA LEU 22 + HG LEU 22 OK 100 100 100 100 2.2-3.7 4.3=100 HA ARG 23 + HG3 ARG 23 OK 88 88 100 100 2.7-4.2 3.8=100 HA ARG 84 + HG2 ARG 84 OK 55 55 100 100 2.3-3.6 3.9=100 HA ARG 84 + HG3 ARG 84 OK 45 45 100 100 3.5-4.2 3.9=100 HA LEU 22 + HG3 ARG 23 OK 24 96 30 83 4.7-7.4 375/5.0=76, 6212/4.6=16...(6) HA LYS 19 - HG LEU 22 poor 20 99 20 - 4.7-8.7 HA LYS 26 - HG3 ARG 23 poor 19 96 20 - 4.2-11.2 HA THR 18 - HG LEU 22 far 14 90 15 - 5.7-10.0 HA THR 25 - HG3 ARG 23 poor 13 64 20 - 5.2-8.9 HA ALA 21 - HG3 ARG 23 lone 4 52 50 16 3.3-8.8 10688/398=5, 6196/5.0=5...(4) HA ALA 28 - HG LEU 22 far 4 81 5 - 4.6-19.5 HA ALA 12 - HG3 ARG 84 far 2 44 5 - 5.2-49.4 HA LYS 19 - HG3 ARG 23 far 0 95 0 - 6.3-11.1 HA SER 94 - HG LEU 70 far 0 50 0 - 6.3-7.6 HA ARG 23 - HG LEU 22 far 0 95 0 - 6.3-7.5 HA LYS 26 - HG LEU 22 far 0 100 0 - 6.5-12.8 HA ALA 16 - HG3 ARG 23 far 0 91 0 - 6.5-17.6 HA LYS 31 - HG3 ARG 23 far 0 95 0 - 6.6-20.1 HA ALA 28 - HG3 ARG 23 far 0 74 0 - 6.6-17.9 HA GLN 27 - HG LEU 22 far 0 87 0 - 6.7-16.1 HA ALA 21 - HG LEU 22 far 0 57 0 - 6.7-7.7 HA ALA 12 - HG2 ARG 84 far 0 53 0 - 6.9-48.4 HA GLN 27 - HG3 ARG 23 far 0 80 0 - 6.9-15.2 HB THR 115 - HG LEU 119 far 0 93 0 - 7.0-7.5 HA ALA 15 - HG LEU 70 far 0 76 0 - 7.0-40.0 HA THR 18 - HG3 ARG 23 far 0 84 0 - 7.2-11.8 HA ALA 15 - HG2 ARG 84 far 0 63 0 - 7.5-48.5 HA SER 124 - HG LEU 122 far 0 44 0 - 7.5-10.0 HA SER 74 - HG LEU 70 far 0 59 0 - 7.8-9.2 HA ALA 109 - HG LEU 119 far 0 88 0 - 8.1-9.7 HA PHE 87 - HG2 ARG 84 far 0 71 0 - 8.1-9.6 HA THR 25 - HG LEU 22 far 0 71 0 - 8.2-12.0 HA ALA 15 - HG3 ARG 84 far 0 52 0 - 8.2-50.1 HA ALA 16 - HG LEU 70 far 0 80 0 - 8.6-40.8 HA ALA 15 - HG3 ARG 23 far 0 87 0 - 8.7-19.1 HA ALA 108 - HG LEU 119 far 0 88 0 - 9.2-10.8 HA PHE 87 - HG3 ARG 84 far 0 60 0 - 9.3-10.2 HA ALA 110 - HG LEU 119 far 0 76 0 - 9.3-11.1 HA SER 74 - HG3 ARG 23 far 0 69 0 - 9.4-25.0 HA LYS 31 - HG LEU 22 far 0 100 0 - 10.0-24.0 HA GLN 61 - HG LEU 122 far 0 56 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 394 from aliabs.peaks (1.54, 1.62, 26.83 ppm; 4.74 A): 3 out of 18 assignments used, quality = 1.00: * HB2 LEU 22 + HG LEU 22 OK 100 100 100 100 2.4-2.9 3.0=100 HB2 LEU 119 + HG LEU 119 OK 95 95 100 100 2.8-2.9 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 far 10 96 10 - 4.7-7.9 HG LEU 103 - HG LEU 119 poor 9 84 25 41 4.9-6.0 2.1/3786=16, ~3770=12...(5) HB2 LEU 119 - HG LEU 122 far 3 65 5 - 4.8-8.0 HG LEU 49 - HG LEU 122 far 0 34 0 - 5.5-7.5 HG LEU 103 - HG LEU 122 far 0 55 0 - 5.7-7.6 HG LEU 123 - HG LEU 122 far 0 44 0 - 6.2-9.5 HB2 LEU 53 - HG LEU 122 far 0 42 0 - 6.4-10.2 HG2 ARG 23 - HG LEU 22 far 0 85 0 - 6.4-9.5 HB2 LEU 53 - HG LEU 119 far 0 68 0 - 6.5-8.9 HG LEU 69 - HG LEU 122 far 0 32 0 - 7.1-9.2 HG LEU 69 - HG LEU 70 far 0 45 0 - 7.5-8.3 HG13 ILE 37 - HG3 ARG 23 far 0 92 0 - 8.8-23.1 HG LEU 49 - HG LEU 70 far 0 48 0 - 9.5-10.5 HG LEU 123 - HG LEU 119 far 0 70 0 - 9.7-10.5 HG2 ARG 23 - HG LEU 70 far 0 67 0 - 9.7-29.2 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): 3 out of 25 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 QG2 ILE 80 - HG2 ARG 84 far 0 42 0 - 5.0-7.2 QD2 LEU 70 - HG LEU 122 far 0 53 0 - 5.2-7.6 QD2 LEU 22 - HG3 ARG 23 far 0 96 0 - 5.5-8.3 QG2 ILE 32 - HG3 ARG 23 far 0 96 0 - 5.8-14.6 QG2 VAL 57 - HG LEU 119 far 0 82 0 - 6.0-7.2 QG2 ILE 80 - HG3 ARG 84 far 0 34 0 - 6.1-7.5 QD2 LEU 69 - HG LEU 122 far 0 39 0 - 6.7-8.7 QD2 LEU 69 - HG LEU 70 far 0 54 0 - 7.1-7.7 QD1 LEU 98 - HG LEU 70 far 0 69 0 - 7.2-8.9 QD1 LEU 70 - HG LEU 122 far 0 32 0 - 7.4-9.6 QD1 LEU 98 - HG LEU 122 far 0 50 0 - 7.7-10.0 QG2 ILE 129 - HG LEU 70 far 0 71 0 - 8.0-8.8 QD1 LEU 70 - HG3 ARG 23 far 0 54 0 - 8.3-24.0 QG2 VAL 57 - HG LEU 122 far 0 53 0 - 8.3-9.6 QG2 ILE 32 - HG LEU 22 far 0 100 0 - 8.7-16.6 QG1 VAL 133 - HG2 ARG 84 far 0 73 0 - 8.9-12.4 HG13 ILE 80 - HG2 ARG 84 far 0 37 0 - 9.0-11.9 QG2 ILE 80 - HG3 ARG 23 far 0 62 0 - 9.1-23.9 QG2 ILE 129 - HG LEU 122 far 0 52 0 - 9.2-10.8 QG2 ILE 129 - HG2 ARG 84 far 0 58 0 - 9.6-12.9 QD2 LEU 22 - HG2 ARG 84 far 0 73 0 - 9.9-28.7 QG1 VAL 133 - HG3 ARG 84 far 0 61 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 398 from aliabs.peaks (0.89, 1.62, 26.83 ppm; 4.03 A): 5 out of 26 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 92 93 100 98 3.7-4.2 2.1/10258=60...(10) QG2 VAL 20 + HG3 ARG 23 OK 61 95 75 86 2.3-5.5 10688/3.8=33...(16) QG1 VAL 118 + HG LEU 122 OK 60 64 100 95 2.6-4.1 11748/4.6=36...(16) QD1 LEU 62 + HG LEU 119 OK 56 60 100 92 2.8-3.6 ~10992=39, 10954/3.7=25...(15) QG1 VAL 20 - HG3 ARG 23 far 11 74 15 - 4.4-7.5 QD1 LEU 62 - HG LEU 122 far 4 37 10 - 4.3-6.4 QG2 VAL 63 - HG LEU 122 far 0 42 0 - 4.9-6.8 QD1 LEU 22 - HG3 ARG 23 far 0 96 0 - 5.0-8.3 QD1 LEU 49 - HG LEU 122 far 0 39 0 - 5.2-6.9 QD2 LEU 123 - HG LEU 122 far 0 64 0 - 5.4-8.4 QG2 VAL 63 - HG LEU 119 far 0 68 0 - 5.7-6.3 QD2 LEU 98 - HG LEU 70 far 0 85 0 - 6.0-8.9 QD2 LEU 69 - HG LEU 122 far 0 46 0 - 6.7-8.7 QD1 LEU 49 - HG LEU 70 far 0 54 0 - 6.9-8.1 QD2 LEU 123 - HG LEU 119 far 0 94 0 - 7.1-8.0 QD2 LEU 69 - HG LEU 70 far 0 63 0 - 7.1-7.7 QD1 LEU 98 - HG LEU 70 far 0 48 0 - 7.2-8.9 QG2 VAL 20 - HG LEU 22 far 0 99 0 - 7.2-9.4 QD1 LEU 98 - HG LEU 122 far 0 34 0 - 7.7-10.0 QG1 VAL 20 - HG LEU 22 far 0 81 0 - 7.8-9.2 QD2 LEU 98 - HG LEU 122 far 0 64 0 - 8.0-9.8 QG2 VAL 63 - HG LEU 70 far 0 59 0 - 8.6-9.1 QG1 VAL 118 - HG LEU 70 far 0 84 0 - 8.7-9.5 QD1 LEU 48 - HG LEU 122 far 0 44 0 - 9.6-11.7 QG2 VAL 20 - HG LEU 70 far 0 84 0 - 10.0-27.0 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 11 assignments used, quality = 1.00: * HA LEU 22 + QD2 LEU 22 OK 100 100 100 100 1.8-3.1 373=91, 374/2.1=45...(20) HA LYS 19 - QD2 LEU 22 far 0 99 0 - 3.9-8.1 HA GLN 27 - QD2 LEU 22 far 0 87 0 - 4.1-14.3 HA ALA 28 - QD2 LEU 22 far 0 81 0 - 4.1-17.1 HA ARG 23 - QD2 LEU 22 far 0 95 0 - 4.2-6.4 HA THR 18 - QD2 LEU 22 far 0 90 0 - 4.2-8.9 HA ALA 21 - QD2 LEU 22 far 0 57 0 - 4.6-6.9 HA LYS 26 - QD2 LEU 22 far 0 100 0 - 4.9-11.7 HA THR 25 - QD2 LEU 22 far 0 71 0 - 5.2-10.2 HA LYS 31 - QD2 LEU 22 far 0 100 0 - 7.6-21.0 HA ALA 16 - QD2 LEU 22 far 0 97 0 - 9.1-13.7 Violated in 1 structures by 0.00 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 0 85 0 - 5.4-8.0 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 4 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 2.2-3.2 3.1=99 HG3 ARG 23 - QD2 LEU 22 far 0 100 0 - 5.5-8.3 HG2 ARG 84 - QD2 LEU 22 far 0 83 0 - 9.9-28.7 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 6 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 95 100 100 95 2.2-3.2 3.1=68, 2.9/401=40...(15) HG3 ARG 23 - QD2 LEU 22 far 0 100 0 - 5.5-8.3 HD2 LYS 19 - QD2 LEU 22 far 0 60 0 - 6.4-10.6 HD3 LYS 19 - QD2 LEU 22 far 0 65 0 - 7.5-11.0 HG2 ARG 84 - QD2 LEU 22 far 0 90 0 - 9.9-28.7 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 4 assignments used, quality = 1.00: * QD1 LEU 22 + QD2 LEU 22 OK 100 100 100 100 2.0-2.1 2.1=100 QG1 VAL 20 - QD2 LEU 22 far 0 81 0 - 6.2-7.9 QG2 VAL 20 - QD2 LEU 22 far 0 99 0 - 6.3-7.4 QD2 LEU 98 - QD2 LEU 22 far 0 100 0 - 9.6-26.4 Violated in 0 structures by 0.00 A. Peak 409 from aliabs.peaks (4.26, 0.89, 24.55 ppm; 3.58 A increased from 3.37 A): 2 out of 12 assignments used, quality = 1.00: * HA LEU 22 + QD1 LEU 22 OK 100 100 100 100 1.9-3.5 374=88, 401/2.1=81...(24) HA ARG 23 + QD1 LEU 22 OK 34 95 40 91 3.9-5.8 ~407=23, ~6200=23...(17) HA LYS 26 - QD1 LEU 22 far 5 100 5 - 3.6-10.1 HA GLN 27 - QD1 LEU 22 far 4 87 5 - 4.0-12.8 HA ALA 28 - QD1 LEU 22 far 4 81 5 - 2.0-15.7 HA LYS 19 - QD1 LEU 22 far 0 99 0 - 4.3-8.4 HA THR 25 - QD1 LEU 22 far 0 71 0 - 5.2-8.5 HA THR 18 - QD1 LEU 22 far 0 90 0 - 5.6-8.9 HA ALA 21 - QD1 LEU 22 far 0 57 0 - 6.1-6.8 HA LYS 31 - QD1 LEU 22 far 0 100 0 - 7.3-19.3 HA SER 74 - QD1 LEU 22 far 0 76 0 - 9.9-20.8 HA ALA 16 - QD1 LEU 22 far 0 97 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 410 from aliabs.peaks (1.54, 0.89, 24.55 ppm; 3.26 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 HG2 ARG 23 - QD1 LEU 22 far 4 85 5 - 3.6-7.6 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 3 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 2.1-3.2 3.1=84, 2.9/374=35...(19) HG3 ARG 23 - QD1 LEU 22 far 0 100 0 - 5.0-8.3 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 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 2.1-3.2 3.1=84, 2.9/374=35...(19) HG3 ARG 23 - QD1 LEU 22 far 0 100 0 - 5.0-8.3 HD2 LYS 19 - QD1 LEU 22 far 0 60 0 - 7.1-11.1 HD3 LYS 19 - QD1 LEU 22 far 0 65 0 - 7.6-11.8 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 2.0-2.1 2.1=100 QG2 ILE 32 - QD1 LEU 22 far 0 100 0 - 6.0-13.0 QG2 ILE 80 - QD1 LEU 22 far 0 68 0 - 8.1-20.2 QD1 LEU 70 - QD1 LEU 22 far 0 60 0 - 8.5-20.2 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): 3 out of 14 assignments used, quality = 1.00: * H ARG 23 + HA ARG 23 OK 100 100 100 100 2.3-2.9 2.9=100 H LYS 31 + HA LYS 31 OK 27 27 100 100 2.9-2.9 3.0=100 H GLU 30 + HA LYS 31 OK 21 54 100 39 5.3-5.7 7906/6342=27...(3) H GLU 30 - HA LYS 26 poor 10 50 20 - 3.4-9.6 H ALA 29 - HA LYS 26 poor 7 44 65 24 3.8-9.7 810/3.0=5, 926/10757=4...(8) H LYS 31 - HA LYS 26 poor 5 24 20 - 2.8-10.0 H LYS 31 - HA ARG 23 far 3 60 5 - 5.2-15.9 H ARG 23 - HA LYS 31 far 3 56 5 - 5.8-20.2 H ARG 23 - HA LYS 19 lone 2 63 40 9 5.2-7.9 6201/11764=6 H ALA 29 - HA LYS 31 far 0 48 0 - 6.9-8.1 H GLU 30 - HA ARG 23 far 0 99 0 - 7.9-16.2 H ALA 29 - HA ARG 23 far 0 95 0 - 7.9-16.1 H LYS 31 - HA LYS 19 far 0 31 0 - 8.2-23.5 H ARG 23 - HA LYS 26 far 0 51 0 - 8.4-9.5 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 22 assignments used, quality = 1.00: * HB2 ARG 23 + HA ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 19 + HA LYS 19 OK 59 59 100 100 2.3-2.4 3.0=100 HB2 LYS 31 + HA LYS 31 OK 52 52 100 100 3.0-3.0 3.0=100 HB2 LYS 26 + HA LYS 26 OK 49 49 100 100 2.2-3.0 3.0=100 HB2 LYS 31 - HA ARG 23 far 5 98 5 - 2.6-16.6 HB2 LYS 24 - HA LYS 19 far 0 60 0 - 4.0-13.5 HB2 LYS 31 - HA LYS 26 far 0 48 0 - 4.3-11.2 HB2 ARG 23 - HA LYS 19 far 0 63 0 - 4.5-9.3 HB2 LYS 24 - HA ARG 23 far 0 99 0 - 4.6-6.1 HB2 LYS 26 - HA LYS 31 far 0 53 0 - 4.9-11.8 HB2 ARG 23 - HA LYS 31 far 0 56 0 - 5.8-19.1 HB2 LYS 24 - HA LYS 26 far 0 48 0 - 6.2-8.2 HB2 LYS 19 - HA ARG 23 far 0 98 0 - 6.3-11.2 HB2 LYS 31 - HA LYS 19 far 0 59 0 - 6.8-22.9 HB2 ARG 23 - HA LYS 26 far 0 51 0 - 6.9-10.2 HB2 LYS 26 - HA ARG 23 far 0 99 0 - 7.0-10.2 HB2 LYS 19 - HA LYS 31 far 0 52 0 - 7.3-26.4 HG3 ARG 90 - HA LYS 19 far 0 53 0 - 9.2-34.8 HB2 LYS 19 - HA LYS 26 far 0 48 0 - 9.4-17.1 HB2 LYS 24 - HA LYS 31 far 0 53 0 - 9.6-19.4 HB2 LYS 26 - HA LYS 19 far 0 61 0 - 9.7-17.9 HB ILE 80 - HA LYS 19 far 0 50 0 - 9.9-34.2 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 25 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 2.5-2.7 3.0=100 HB3 LYS 31 + HA LYS 31 OK 54 54 100 100 2.5-2.6 3.0=100 HB3 LYS 26 + HA LYS 26 OK 51 51 100 100 2.3-3.0 3.0=100 HB3 LYS 31 - HA ARG 23 far 0 99 0 - 4.2-18.0 HB3 LYS 31 - HA LYS 26 far 0 50 0 - 4.5-12.4 HB3 LYS 26 - HA LYS 31 far 0 55 0 - 4.5-10.2 HB ILE 32 - HA LYS 26 far 0 49 0 - 4.8-10.0 HB ILE 32 - HA LYS 31 far 0 53 0 - 4.8-5.6 HB3 LYS 24 - HA ARG 23 far 0 100 0 - 5.0-6.4 HB3 ARG 23 - HA LYS 26 far 0 51 0 - 5.4-10.0 HB3 LYS 19 - HA ARG 23 far 0 97 0 - 5.5-10.2 HB3 LYS 24 - HA LYS 19 far 0 63 0 - 5.5-13.9 HB3 LYS 19 - HA LYS 31 far 0 50 0 - 5.6-24.7 HB3 LYS 31 - HA LYS 19 far 0 62 0 - 5.7-24.3 HB3 ARG 23 - HA LYS 19 far 0 63 0 - 5.8-10.6 HB3 LYS 24 - HA LYS 26 far 0 50 0 - 6.7-8.2 HB3 ARG 23 - HA LYS 31 far 0 56 0 - 7.2-20.2 HB ILE 32 - HA ARG 23 far 0 99 0 - 7.3-15.8 HB3 LYS 19 - HA LYS 26 far 0 46 0 - 7.7-15.6 HB2 LYS 36 - HA LYS 31 far 0 56 0 - 7.8-9.5 HB2 CYS 79 - HA LYS 19 far 0 57 0 - 8.0-30.8 HB3 LYS 26 - HA ARG 23 far 0 100 0 - 8.1-10.1 HB2 CYS 79 - HA ARG 23 far 0 96 0 - 8.4-22.1 HB2 LYS 36 - HA LYS 26 far 0 51 0 - 9.4-16.2 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 8 assignments used, quality = 1.00: * HG2 ARG 23 + HA ARG 23 OK 100 100 100 100 2.1-3.8 3.8=100 HB2 LEU 22 + HA ARG 23 OK 53 85 65 96 3.8-5.5 6197/2.9=45, ~375=29...(17) HB2 LEU 22 - HA LYS 19 poor 19 47 40 - 3.3-7.4 HG2 ARG 23 - HA LYS 31 far 0 56 0 - 4.9-19.9 HG2 ARG 23 - HA LYS 26 far 0 51 0 - 5.4-10.1 HG2 ARG 23 - HA LYS 19 far 0 63 0 - 5.9-11.2 HB2 LEU 22 - HA LYS 26 far 0 38 0 - 6.8-11.4 HB2 LEU 22 - HA LYS 31 far 0 41 0 - 7.2-21.7 Violated in 0 structures by 0.00 A. Peak 421 from aliabs.peaks (1.62, 4.28, 55.92 ppm; 5.17 A): 3 out of 16 assignments used, quality = 1.00: * HG3 ARG 23 + HA ARG 23 OK 100 100 100 100 2.7-4.2 3.8=100 HB3 LEU 22 + HA ARG 23 OK 65 100 65 100 4.2-6.1 ~6197=61, ~383=61...(14) HD3 LYS 19 + HA LYS 19 OK 33 33 100 100 3.8-5.0 5.2=100 HG LEU 22 - HA LYS 19 poor 13 63 20 - 4.7-8.7 HG3 ARG 23 - HA LYS 26 poor 10 51 20 - 4.2-11.2 HB3 LEU 22 - HA LYS 19 lone 3 63 70 6 3.4-6.7 10696/11763=2 HG3 ARG 23 - HA LYS 19 far 0 63 0 - 6.3-11.1 HG LEU 22 - HA ARG 23 far 0 100 0 - 6.3-7.5 HG LEU 22 - HA LYS 26 far 0 51 0 - 6.5-12.8 HG3 ARG 23 - HA LYS 31 far 0 56 0 - 6.6-20.1 HB3 LEU 22 - HA LYS 31 far 0 55 0 - 7.8-22.9 HB3 LEU 22 - HA LYS 26 far 0 51 0 - 7.9-12.1 HD3 LYS 19 - HA LYS 31 far 0 28 0 - 8.3-27.0 HD3 LYS 19 - HA ARG 23 far 0 63 0 - 8.4-12.6 HG LEU 22 - HA LYS 31 far 0 56 0 - 10.0-24.0 HD3 LYS 19 - HA LYS 26 far 0 26 0 - 10.0-18.0 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 3.8-4.6 4.9=93, ~6205=39...(21) HD3 ARG 23 + HA ARG 23 OK 100 100 100 100 3.8-5.2 4.9=93, ~6205=39...(21) HB2 HIS 10 - HA LYS 19 far 3 59 5 - 4.6-29.2 HB2 HIS 8 - HA LYS 19 far 3 58 5 - 3.9-36.4 HB2 HIS 10 - HA ARG 23 far 0 98 0 - 5.4-33.1 HD2 ARG 23 - HA LYS 19 far 0 63 0 - 5.7-11.3 HD2 ARG 23 - HA LYS 31 far 0 56 0 - 5.8-20.9 HD3 ARG 23 - HA LYS 26 far 0 51 0 - 5.8-12.4 HD3 ARG 23 - HA LYS 19 far 0 63 0 - 6.2-11.9 HD3 ARG 23 - HA LYS 31 far 0 55 0 - 6.5-21.8 HD2 ARG 23 - HA LYS 26 far 0 51 0 - 6.5-11.6 HD3 ARG 90 - HA LYS 19 far 0 63 0 - 7.1-35.5 HB3 HIS 7 - HA LYS 19 far 0 42 0 - 7.1-37.7 HB2 HIS 6 - HA LYS 19 far 0 62 0 - 7.9-41.7 HD2 ARG 90 - HA LYS 19 far 0 63 0 - 8.0-34.5 HB2 HIS 10 - HA LYS 31 far 0 52 0 - 8.8-45.1 HB2 HIS 6 - HA LYS 31 far 0 55 0 - 9.8-49.5 HB2 HIS 10 - HA LYS 26 far 0 48 0 - 9.9-37.2 HB3 HIS 7 - HA ARG 23 far 0 78 0 - 9.9-42.3 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 3.8-5.2 4.9=93, ~6205=39...(21) HD2 ARG 23 + HA ARG 23 OK 100 100 100 100 3.8-4.6 4.9=93, ~6205=39...(21) HB2 HIS 8 - HA LYS 19 far 3 60 5 - 3.9-36.4 HB2 HIS 10 - HA LYS 19 far 3 57 5 - 4.6-29.2 HB2 HIS 10 - HA ARG 23 far 0 96 0 - 5.4-33.1 HD2 ARG 23 - HA LYS 19 far 0 63 0 - 5.7-11.3 HD2 ARG 23 - HA LYS 31 far 0 55 0 - 5.8-20.9 HD3 ARG 23 - HA LYS 26 far 0 51 0 - 5.8-12.4 HD3 ARG 23 - HA LYS 19 far 0 63 0 - 6.2-11.9 HD3 ARG 23 - HA LYS 31 far 0 56 0 - 6.5-21.8 HD2 ARG 23 - HA LYS 26 far 0 51 0 - 6.5-11.6 HD3 ARG 90 - HA LYS 19 far 0 63 0 - 7.1-35.5 HB3 HIS 7 - HA LYS 19 far 0 47 0 - 7.1-37.7 HB2 HIS 6 - HA LYS 19 far 0 63 0 - 7.9-41.7 HD2 ARG 90 - HA LYS 19 far 0 61 0 - 8.0-34.5 HB2 HIS 10 - HA LYS 31 far 0 49 0 - 8.8-45.1 HB2 HIS 6 - HA LYS 31 far 0 55 0 - 9.8-49.5 HB2 HIS 10 - HA LYS 26 far 0 45 0 - 9.9-37.2 HB3 HIS 7 - HA ARG 23 far 0 85 0 - 9.9-42.3 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 2.3-3.2 3.6=100 H LYS 24 - HA LYS 19 far 3 63 5 - 4.7-10.6 H LYS 24 - HA LYS 26 far 0 51 0 - 6.4-7.4 H LYS 24 - HA LYS 31 far 0 56 0 - 7.1-18.7 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 11 assignments used, quality = 1.00: * HA ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 21 - HB2 ARG 23 far 0 89 0 - 4.0-6.3 HA LEU 22 - HB2 ARG 23 far 0 95 0 - 4.2-5.7 HA LYS 19 - HB2 ARG 23 far 0 99 0 - 4.5-9.3 HA LYS 31 - HB2 ARG 23 far 0 99 0 - 5.8-19.1 HA THR 25 - HB2 ARG 23 far 0 96 0 - 6.8-9.4 HA LYS 26 - HB2 ARG 23 far 0 97 0 - 6.9-10.2 HA THR 18 - HB2 ARG 23 far 0 100 0 - 7.6-9.8 HA ALA 16 - HB2 ARG 23 far 0 100 0 - 7.9-16.1 HA SER 74 - HB2 ARG 23 far 0 97 0 - 9.3-25.5 HA ALA 15 - HB2 ARG 23 far 0 100 0 - 9.7-17.0 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 8 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 19 - HB2 ARG 23 far 0 97 0 - 4.0-9.5 HB3 LYS 31 - HB2 ARG 23 far 0 99 0 - 5.4-20.0 HB3 LYS 24 - HB2 ARG 23 far 0 100 0 - 6.3-7.9 HB2 CYS 79 - HB2 ARG 23 far 0 96 0 - 8.1-24.6 HB3 LYS 26 - HB2 ARG 23 far 0 100 0 - 8.8-12.3 HB ILE 32 - HB2 ARG 23 far 0 99 0 - 8.9-17.5 HB2 LYS 86 - HB2 ARG 23 far 0 73 0 - 9.5-29.3 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 2 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 0 85 0 - 4.2-6.5 Violated in 0 structures by 0.00 A. Peak 430 from aliabs.peaks (1.62, 1.75, 30.64 ppm; 3.04 A increased from 2.86 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 22 - HB2 ARG 23 far 0 100 0 - 5.0-7.3 HG LEU 22 - HB2 ARG 23 far 0 100 0 - 6.6-8.4 HD3 LYS 19 - HB2 ARG 23 far 0 63 0 - 7.3-12.6 Violated in 0 structures by 0.00 A. Peak 431 from aliabs.peaks (3.16, 1.75, 30.64 ppm; 3.96 A): 2 out of 5 assignments used, quality = 1.00: * HD2 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-3.4 3.7=100 HD3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.1-3.9 3.7=100 HB2 HIS 10 - HB2 ARG 23 far 0 98 0 - 6.5-33.2 HD2 ARG 90 - HB2 ARG 23 far 0 100 0 - 8.3-27.7 HD3 ARG 90 - HB2 ARG 23 far 0 100 0 - 8.4-28.6 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 5 assignments used, quality = 1.00: * HD3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.1-3.9 3.7=100 HD2 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-3.4 3.7=100 HB2 HIS 10 - HB2 ARG 23 far 0 96 0 - 6.5-33.2 HD2 ARG 90 - HB2 ARG 23 far 0 99 0 - 8.3-27.7 HD3 ARG 90 - HB2 ARG 23 far 0 100 0 - 8.4-28.6 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 10 assignments used, quality = 1.00: * HA ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 22 - HB3 ARG 23 far 0 95 0 - 4.8-6.4 HA ALA 21 - HB3 ARG 23 far 0 89 0 - 5.1-7.7 HA THR 25 - HB3 ARG 23 far 0 96 0 - 5.2-9.1 HA LYS 26 - HB3 ARG 23 far 0 97 0 - 5.4-10.0 HA LYS 19 - HB3 ARG 23 far 0 99 0 - 5.8-10.6 HA LYS 31 - HB3 ARG 23 far 0 99 0 - 7.2-20.2 HA THR 18 - HB3 ARG 23 far 0 100 0 - 8.2-10.8 HA ALA 16 - HB3 ARG 23 far 0 100 0 - 8.4-17.2 HA SER 74 - HB3 ARG 23 far 0 97 0 - 9.0-25.7 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 31 - HB3 ARG 23 far 0 98 0 - 5.4-19.6 HB2 LYS 24 - HB3 ARG 23 far 0 99 0 - 6.1-7.3 HB2 LYS 26 - HB3 ARG 23 far 0 99 0 - 6.4-12.2 HB2 LYS 19 - HB3 ARG 23 far 0 98 0 - 6.5-12.1 HB ILE 80 - HB3 ARG 135 far 0 72 0 - 8.1-9.9 HB2 LYS 39 - HB3 ARG 135 far 0 82 0 - 8.3-11.2 HB ILE 80 - HB3 ARG 23 far 0 89 0 - 10.0-27.9 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 2 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 0 85 0 - 5.2-7.0 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 7 assignments used, quality = 1.00: * HG3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 84 - HB3 ARG 135 far 0 72 0 - 5.5-9.9 HG3 ARG 84 - HB3 ARG 135 far 0 66 0 - 6.0-8.6 HB3 LEU 22 - HB3 ARG 23 far 0 100 0 - 6.2-7.6 HG LEU 22 - HB3 ARG 23 far 0 100 0 - 6.9-8.7 HD3 LYS 19 - HB3 ARG 23 far 0 63 0 - 8.5-12.9 HG LEU 43 - HB3 ARG 135 far 0 60 0 - 9.4-11.2 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 2.0-3.9 3.7=100 HD3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.6-4.2 3.7=100 HD2 ARG 84 - HB3 ARG 135 far 3 51 5 - 4.3-9.8 HD3 ARG 84 - HB3 ARG 135 far 0 51 0 - 5.7-10.2 HB2 HIS 10 - HB3 ARG 23 far 0 98 0 - 7.7-33.9 HB3 HIS 3 - HB3 ARG 135 far 0 87 0 - 8.3-76.4 HB2 HIS 8 - HB3 ARG 135 far 0 81 0 - 9.1-58.5 HD2 ARG 90 - HB3 ARG 23 far 0 100 0 - 9.2-27.6 HD3 ARG 90 - HB3 ARG 23 far 0 100 0 - 9.3-28.6 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 2.6-4.2 3.7=100 HD2 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.0-3.9 3.7=100 HB2 HIS 10 - HB3 ARG 23 far 0 96 0 - 7.7-33.9 HB3 HIS 3 - HB3 ARG 135 far 0 87 0 - 8.3-76.4 HB2 HIS 8 - HB3 ARG 135 far 0 84 0 - 9.1-58.5 HD2 ARG 90 - HB3 ARG 23 far 0 99 0 - 9.2-27.6 HD3 ARG 90 - HB3 ARG 23 far 0 100 0 - 9.3-28.6 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 9 assignments used, quality = 1.00: * H ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.2-4.2 5.0=100 H LEU 123 + HG LEU 123 OK 97 97 100 100 4.0-4.5 4.6=100 H VAL 126 + HG LEU 123 OK 77 83 100 92 5.8-6.5 3916/3.7=71...(5) H LEU 123 - HG LEU 49 far 4 89 5 - 6.5-7.6 H LYS 31 - HG2 ARG 23 far 3 60 5 - 5.8-18.6 H VAL 126 - HG LEU 49 far 0 73 0 - 7.0-7.5 H ALA 29 - HG2 ARG 23 far 0 95 0 - 8.3-18.4 H GLU 30 - HG2 ARG 23 far 0 99 0 - 8.4-18.9 H LEU 123 - HG LEU 103 far 0 92 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 444 from aliabs.peaks (4.28, 1.56, 26.98 ppm; 4.05 A): 1 out of 16 assignments used, quality = 1.00: * HA ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.1-3.8 3.8=100 HA ALA 21 - HG2 ARG 23 poor 18 89 20 - 3.5-7.6 HA LEU 22 - HG2 ARG 23 far 5 95 5 - 4.1-7.0 HA LYS 31 - HG2 ARG 23 far 0 99 0 - 4.9-19.9 HA LYS 26 - HG2 ARG 23 far 0 97 0 - 5.4-10.1 HA LYS 19 - HG2 ARG 23 far 0 99 0 - 5.9-11.2 HA THR 25 - HG2 ARG 23 far 0 96 0 - 6.0-8.8 HA ALA 108 - HG LEU 103 far 0 94 0 - 6.4-8.4 HA GLN 61 - HG LEU 103 far 0 94 0 - 7.6-8.9 HA ALA 110 - HG LEU 103 far 0 92 0 - 7.7-10.5 HA THR 18 - HG2 ARG 23 far 0 100 0 - 7.8-10.7 HA ALA 16 - HG2 ARG 23 far 0 100 0 - 7.9-16.2 HA GLN 61 - HG LEU 49 far 0 91 0 - 8.0-8.4 HA ALA 109 - HG LEU 103 far 0 94 0 - 8.1-10.2 HA SER 74 - HG2 ARG 23 far 0 97 0 - 9.8-24.6 HA ALA 12 - HG2 ARG 23 far 0 99 0 - 10.0-27.0 Violated in 0 structures by 0.00 A. Peak 445 from aliabs.peaks (1.75, 1.56, 26.98 ppm; 3.51 A): 1 out of 10 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 far 8 54 15 - 3.9-4.7 HB2 LYS 24 - HG2 ARG 23 far 5 99 5 - 4.0-7.6 HB2 LYS 31 - HG2 ARG 23 far 5 98 5 - 3.6-19.4 HB2 LYS 26 - HG2 ARG 23 far 0 99 0 - 5.9-12.5 HG LEU 100 - HG LEU 103 far 0 71 0 - 6.2-7.2 HG LEU 100 - HG LEU 49 far 0 67 0 - 6.8-7.4 HB2 LYS 19 - HG2 ARG 23 far 0 98 0 - 7.0-12.6 HG13 ILE 129 - HG LEU 49 far 0 87 0 - 8.3-11.9 HG13 ILE 129 - HG LEU 123 far 0 96 0 - 9.1-12.2 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 15 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 2.4-2.6 3.0=100 HB3 LYS 24 - HG2 ARG 23 far 0 100 0 - 4.7-7.9 HB3 LYS 31 - HG2 ARG 23 far 0 99 0 - 5.2-20.8 HB3 LEU 122 - HG LEU 49 far 0 51 0 - 5.3-8.0 HB3 LYS 19 - HG2 ARG 23 far 0 97 0 - 5.8-11.6 HB3 LEU 122 - HG LEU 123 far 0 59 0 - 6.3-8.1 HB ILE 32 - HG2 ARG 23 far 0 99 0 - 6.5-17.4 HB2 LEU 100 - HG LEU 103 far 0 93 0 - 7.1-8.0 HB3 LEU 122 - HG LEU 103 far 0 54 0 - 7.2-8.4 HB3 LYS 26 - HG2 ARG 23 far 0 100 0 - 7.6-12.4 HB2 LYS 36 - HG2 ARG 23 far 0 100 0 - 8.2-21.3 HB2 LEU 100 - HG LEU 49 far 0 90 0 - 9.0-9.7 HB3 LEU 103 - HG LEU 49 far 0 58 0 - 9.1-10.0 HB2 CYS 79 - HG2 ARG 23 far 0 96 0 - 9.5-24.0 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 18 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 46 57 100 82 2.3-2.4 3.0=57, ~3947=21...(11) HB2 LEU 122 - HG LEU 49 far 0 84 0 - 4.7-6.7 HG LEU 119 - HG LEU 103 far 0 94 0 - 4.9-6.0 HB3 LEU 22 - HG2 ARG 23 far 0 100 0 - 5.4-8.4 HG LEU 122 - HG LEU 49 far 0 79 0 - 5.5-7.5 HG LEU 122 - HG LEU 103 far 0 83 0 - 5.7-7.6 HG LEU 62 - HG LEU 103 far 0 62 0 - 6.2-7.4 HG LEU 122 - HG LEU 123 far 0 88 0 - 6.2-9.5 HG LEU 22 - HG2 ARG 23 far 0 100 0 - 6.4-9.5 HG LEU 62 - HG LEU 49 far 0 58 0 - 6.5-7.2 HB2 LEU 122 - HG LEU 123 far 0 93 0 - 6.9-7.9 HB2 LEU 123 - HG LEU 49 far 0 49 0 - 7.7-9.0 HB2 LEU 122 - HG LEU 103 far 0 88 0 - 7.7-9.2 HD3 LYS 19 - HG2 ARG 23 far 0 63 0 - 9.0-13.6 HG LEU 70 - HG LEU 49 far 0 87 0 - 9.5-10.5 HG LEU 119 - HG LEU 123 far 0 98 0 - 9.7-10.5 HG LEU 70 - HG2 ARG 23 far 0 99 0 - 9.7-29.2 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 8 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 0 98 0 - 5.1-32.9 HB2 HIS 6 - HG LEU 123 far 0 97 0 - 7.1-61.9 HB3 HIS 7 - HG LEU 123 far 0 74 0 - 8.1-59.6 HB2 HIS 8 - HG LEU 123 far 0 93 0 - 8.2-57.5 HB3 HIS 7 - HG LEU 103 far 0 69 0 - 9.1-56.0 HB3 HIS 3 - HG LEU 123 far 0 98 0 - 9.8-67.3 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 8 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 96 0 - 5.1-32.9 HB2 HIS 6 - HG LEU 123 far 0 98 0 - 7.1-61.9 HB3 HIS 7 - HG LEU 123 far 0 81 0 - 8.1-59.6 HB2 HIS 8 - HG LEU 123 far 0 96 0 - 8.2-57.5 HB3 HIS 7 - HG LEU 103 far 0 75 0 - 9.1-56.0 HB3 HIS 3 - HG LEU 123 far 0 98 0 - 9.8-67.3 Violated in 0 structures by 0.00 A. Peak 452 from aliabs.peaks (8.26, 1.62, 26.98 ppm; 5.16 A): 2 out of 14 assignments used, quality = 1.00: * H ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.0-5.0 5.0=100 H LEU 123 + HG LEU 122 OK 75 75 100 100 2.0-5.3 3899/2.1=84, 7744/3.0=63...(12) H ARG 23 - HG LEU 22 far 10 96 10 - 4.6-6.0 H VAL 126 - HG LEU 122 far 3 60 5 - 5.6-6.6 H ALA 29 - HG LEU 22 far 0 88 0 - 6.8-21.6 H LEU 96 - HG LEU 122 far 0 67 0 - 6.9-8.2 H LEU 123 - HG LEU 119 far 0 99 0 - 6.9-7.5 H LEU 96 - HG LEU 70 far 0 86 0 - 7.1-7.6 H LYS 31 - HG3 ARG 23 far 0 60 0 - 7.5-18.3 H ALA 29 - HG3 ARG 23 far 0 95 0 - 8.4-19.5 H LYS 31 - HG LEU 22 far 0 54 0 - 8.6-21.8 H GLU 30 - HG3 ARG 23 far 0 99 0 - 8.6-19.9 H GLU 30 - HG LEU 22 far 0 95 0 - 8.6-21.9 H VAL 126 - HG LEU 70 far 0 79 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 453 from aliabs.peaks (4.28, 1.62, 26.98 ppm; 5.54 A): 3 out of 30 assignments used, quality = 1.00: * HA ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.7-4.2 3.8=100 HA LEU 22 + HG LEU 22 OK 88 88 100 100 2.2-3.7 4.3=100 HA LEU 22 + HG3 ARG 23 OK 40 95 50 85 4.7-7.4 375/5.0=77, 6212/4.6=20...(6) HA LYS 26 - HG3 ARG 23 poor 19 97 20 - 4.2-11.2 HA THR 18 - HG LEU 22 poor 19 96 20 - 5.7-10.0 HA ALA 21 - HG3 ARG 23 lone 8 89 50 19 3.3-8.8 6202/5.0=6, 10688/398=5...(4) HA THR 25 - HG3 ARG 23 lone 2 96 35 5 5.2-8.9 3.0/3788=4 HA LYS 19 - HG LEU 22 lone 1 94 30 5 4.7-8.7 421/3.0=1 HA LYS 19 - HG3 ARG 23 far 0 99 0 - 6.3-11.1 HA ARG 23 - HG LEU 22 far 0 96 0 - 6.3-7.5 HA LYS 26 - HG LEU 22 far 0 92 0 - 6.5-12.8 HA ALA 16 - HG3 ARG 23 far 0 100 0 - 6.5-17.6 HA LYS 31 - HG3 ARG 23 far 0 99 0 - 6.6-20.1 HA ALA 21 - HG LEU 22 far 0 82 0 - 6.7-7.7 HA ALA 12 - HG2 ARG 84 far 0 57 0 - 6.9-48.4 HB THR 115 - HG LEU 119 far 0 99 0 - 7.0-7.5 HA ALA 15 - HG LEU 70 far 0 95 0 - 7.0-40.0 HA THR 18 - HG3 ARG 23 far 0 100 0 - 7.2-11.8 HA ALA 15 - HG2 ARG 84 far 0 59 0 - 7.5-48.5 HA SER 74 - HG LEU 70 far 0 91 0 - 7.8-9.2 HA ALA 109 - HG LEU 119 far 0 100 0 - 8.1-9.7 HA PHE 87 - HG2 ARG 84 far 0 56 0 - 8.1-9.6 HA THR 25 - HG LEU 22 far 0 90 0 - 8.2-12.0 HA ALA 16 - HG LEU 70 far 0 95 0 - 8.6-40.8 HA ALA 15 - HG3 ARG 23 far 0 100 0 - 8.7-19.1 HA ALA 108 - HG LEU 119 far 0 100 0 - 9.2-10.8 HA ALA 110 - HG LEU 119 far 0 99 0 - 9.3-11.1 HA SER 74 - HG3 ARG 23 far 0 97 0 - 9.4-25.0 HA LYS 31 - HG LEU 22 far 0 94 0 - 10.0-24.0 HA GLN 61 - HG LEU 122 far 0 77 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 454 from aliabs.peaks (1.75, 1.62, 26.98 ppm; 3.77 A): 2 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 122 OK 50 55 95 96 1.9-4.6 ~9487=47, ~9487=33...(28) HB2 LYS 24 - HG LEU 22 far 0 94 0 - 4.7-9.2 HB2 LYS 26 - HG3 ARG 23 far 0 99 0 - 5.1-12.8 HG LEU 100 - HG LEU 70 far 0 73 0 - 5.2-6.2 HB2 LYS 24 - HG3 ARG 23 far 0 99 0 - 5.3-7.9 HB2 LYS 31 - HG3 ARG 23 far 0 98 0 - 5.3-18.1 HB2 ARG 23 - HG LEU 22 far 0 96 0 - 6.6-8.4 HB2 LYS 19 - HG LEU 22 far 0 93 0 - 6.8-10.9 HB2 LYS 31 - HG LEU 22 far 0 93 0 - 7.0-21.8 HB2 LYS 19 - HG3 ARG 23 far 0 98 0 - 7.2-12.4 HG LEU 100 - HG LEU 119 far 0 80 0 - 7.9-9.4 HB2 LYS 26 - HG LEU 22 far 0 94 0 - 8.0-15.1 HB ILE 80 - HG2 ARG 84 far 0 47 0 - 8.3-10.6 HG13 ILE 129 - HG LEU 122 far 0 74 0 - 8.3-11.4 HG13 ILE 129 - HG LEU 70 far 0 93 0 - 8.8-10.4 HG3 ARG 90 - HG LEU 70 far 0 84 0 - 9.4-12.9 HB2 LEU 48 - HG LEU 122 far 0 43 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 455 from aliabs.peaks (1.82, 1.62, 26.98 ppm; 4.35 A): 4 out of 28 assignments used, quality = 1.00: * HB3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 100 + HG LEU 70 OK 87 95 100 92 4.3-4.8 ~11107=45, ~11115=43...(10) HB2 ARG 84 + HG2 ARG 84 OK 55 55 100 100 2.4-3.0 3.0=100 HB3 LEU 122 + HG LEU 122 OK 41 41 100 100 2.2-2.8 3.0=100 HB2 LEU 100 - HG LEU 122 far 8 76 10 - 4.4-6.9 HB3 LEU 103 - HG LEU 122 far 7 47 15 - 4.8-6.5 HB3 ARG 135 - HG2 ARG 84 far 0 59 0 - 5.5-9.9 HB3 LYS 19 - HG3 ARG 23 far 0 97 0 - 5.6-11.1 HB3 LEU 103 - HG LEU 119 far 0 70 0 - 5.7-7.1 HB3 LYS 24 - HG LEU 22 far 0 96 0 - 5.9-10.7 HB3 LEU 122 - HG LEU 119 far 0 62 0 - 6.1-7.3 HB3 LYS 26 - HG3 ARG 23 far 0 100 0 - 6.2-12.8 HB3 LYS 24 - HG3 ARG 23 far 0 100 0 - 6.3-8.1 HB3 LYS 31 - HG3 ARG 23 far 0 99 0 - 6.8-19.8 HB3 ARG 23 - HG LEU 22 far 0 96 0 - 6.9-8.7 HB3 LYS 19 - HG LEU 22 far 0 91 0 - 7.2-10.1 HB2 LYS 86 - HG2 ARG 84 far 0 36 0 - 7.2-8.5 HB ILE 32 - HG3 ARG 23 far 0 99 0 - 7.7-18.1 HB3 LYS 31 - HG LEU 22 far 0 95 0 - 7.8-23.2 HB VAL 93 - HG LEU 70 far 0 91 0 - 7.9-8.7 HB2 CYS 79 - HG3 ARG 23 far 0 96 0 - 8.0-23.9 HB3 LEU 122 - HG LEU 70 far 0 56 0 - 8.1-10.4 HB3 LYS 26 - HG LEU 22 far 0 96 0 - 8.5-15.1 HB2 LYS 36 - HG3 ARG 23 far 0 100 0 - 8.7-21.9 HB2 LYS 86 - HG3 ARG 23 far 0 73 0 - 8.8-27.6 HB3 LEU 103 - HG LEU 70 far 0 63 0 - 9.1-9.8 HB3 LYS 24 - HG LEU 70 far 0 95 0 - 9.3-30.2 HB2 LEU 100 - HG LEU 119 far 0 100 0 - 9.6-11.1 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 16 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 119 + HG LEU 119 OK 74 86 100 86 2.8-2.9 2.9=63, 3.9/7654=19...(11) HB2 LEU 22 + HG LEU 22 OK 72 78 100 92 2.4-2.9 3.0=59, 2.9/371=13...(16) HB2 LEU 103 - HG LEU 122 far 0 67 0 - 3.9-5.6 HB2 LEU 103 - HG LEU 119 far 0 93 0 - 4.3-5.8 HB2 LEU 22 - HG3 ARG 23 far 0 85 0 - 4.7-7.9 HB2 LEU 119 - HG LEU 122 far 0 60 0 - 4.8-8.0 HG LEU 103 - HG LEU 119 far 0 100 0 - 4.9-6.0 HG LEU 49 - HG LEU 122 far 0 73 0 - 5.5-7.5 HG LEU 103 - HG LEU 122 far 0 76 0 - 5.7-7.6 HG LEU 123 - HG LEU 122 far 0 77 0 - 6.2-9.5 HG2 ARG 23 - HG LEU 22 far 0 96 0 - 6.4-9.5 HG13 ILE 37 - HG3 ARG 23 far 0 98 0 - 8.8-23.1 HG LEU 49 - HG LEU 70 far 0 92 0 - 9.5-10.5 HG LEU 123 - HG LEU 119 far 0 100 0 - 9.7-10.5 HG2 ARG 23 - HG LEU 70 far 0 96 0 - 9.7-29.2 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): 4 out of 17 assignments used, quality = 1.00: * HD2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 32 32 100 100 2.2-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 32 32 100 100 2.3-3.0 3.0=100 HD2 ARG 23 - HG LEU 22 far 5 96 5 - 6.6-10.8 HD3 ARG 23 - HG LEU 22 far 5 96 5 - 6.1-10.7 HB2 HIS 8 - HG LEU 22 far 5 91 5 - 5.4-39.3 HB3 HIS 7 - HG LEU 22 far 4 72 5 - 3.5-43.0 HB2 HIS 10 - HG3 ARG 23 far 0 98 0 - 6.8-32.8 HB2 HIS 10 - HG LEU 22 far 0 93 0 - 6.9-33.8 HB2 HIS 6 - HG LEU 22 far 0 95 0 - 7.8-43.3 HB3 HIS 3 - HG LEU 119 far 0 100 0 - 8.3-62.7 HD2 ARG 90 - HG3 ARG 23 far 0 100 0 - 8.8-26.7 HD3 ARG 90 - HG LEU 70 far 0 95 0 - 9.1-11.7 HD3 ARG 90 - HG3 ARG 23 far 0 100 0 - 9.2-27.7 HD3 ARG 23 - HG LEU 70 far 0 95 0 - 9.9-32.1 HD2 ARG 90 - HG LEU 70 far 0 95 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 459 from aliabs.peaks (3.16, 1.62, 26.98 ppm; 6.04 A): 2 out of 15 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 2.2-3.0 3.0=100 HD3 ARG 23 - HG LEU 22 far 5 96 5 - 6.1-10.7 HD2 ARG 23 - HG LEU 22 far 5 96 5 - 6.6-10.8 HB2 HIS 8 - HG LEU 22 far 5 94 5 - 5.4-39.3 HB3 HIS 7 - HG LEU 22 far 4 78 5 - 3.5-43.0 HB2 HIS 10 - HG3 ARG 23 far 0 96 0 - 6.8-32.8 HB2 HIS 10 - HG LEU 22 far 0 90 0 - 6.9-33.8 HB2 HIS 6 - HG LEU 22 far 0 96 0 - 7.8-43.3 HB3 HIS 3 - HG LEU 119 far 0 100 0 - 8.3-62.7 HD2 ARG 90 - HG3 ARG 23 far 0 99 0 - 8.8-26.7 HD3 ARG 90 - HG LEU 70 far 0 95 0 - 9.1-11.7 HD3 ARG 90 - HG3 ARG 23 far 0 100 0 - 9.2-27.7 HD3 ARG 23 - HG LEU 70 far 0 96 0 - 9.9-32.1 HD2 ARG 90 - HG LEU 70 far 0 93 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 462 from aliabs.peaks (4.28, 3.16, 42.99 ppm; 4.19 A increased from 3.72 A): 4 out of 43 assignments used, quality = 1.00: * HA ARG 23 + HD2 ARG 23 OK 99 100 100 99 3.8-4.6 4.9=64, 423/1.8=31...(21) HA SER 74 + HD2 ARG 90 OK 67 87 100 76 3.1-4.7 11195/9659=25...(10) HA SER 74 + HD3 ARG 90 OK 62 89 95 73 2.8-5.1 11195/9659=25...(8) HA ARG 23 + HD3 ARG 23 OK 54 100 55 99 3.8-5.2 4.9=64, 422/1.8=31...(21) HA LEU 22 - HD2 ARG 23 far 9 95 10 - 3.1-8.6 HA LEU 22 - HD3 ARG 23 far 9 94 10 - 3.0-8.6 HA ALA 21 - HD2 ARG 23 far 9 89 10 - 2.9-9.0 HA ALA 21 - HD3 ARG 23 far 9 88 10 - 4.3-8.1 HA PHE 87 - HD2 ARG 90 far 0 89 0 - 5.0-6.9 HA THR 25 - HD2 ARG 23 far 0 96 0 - 5.6-10.3 HA PHE 87 - HD3 ARG 90 far 0 91 0 - 5.6-7.0 HA LYS 19 - HD2 ARG 23 far 0 99 0 - 5.7-11.3 HA LYS 31 - HD2 ARG 23 far 0 99 0 - 5.8-20.9 HA LYS 26 - HD3 ARG 23 far 0 97 0 - 5.8-12.4 HA LYS 19 - HD3 ARG 23 far 0 98 0 - 6.2-11.9 HA ALA 21 - HD2 ARG 90 far 0 77 0 - 6.3-29.9 HA LYS 31 - HD3 ARG 23 far 0 98 0 - 6.5-21.8 HA LYS 26 - HD2 ARG 23 far 0 97 0 - 6.5-11.6 HA ALA 16 - HD3 ARG 90 far 0 94 0 - 6.6-39.8 HA THR 25 - HD3 ARG 23 far 0 95 0 - 6.7-10.7 HA THR 18 - HD2 ARG 23 far 0 100 0 - 7.0-11.3 HA LYS 19 - HD3 ARG 90 far 0 92 0 - 7.1-35.5 HA SER 74 - HD3 ARG 23 far 0 97 0 - 7.3-27.2 HA ALA 21 - HD3 ARG 90 far 0 79 0 - 7.4-30.7 HA ALA 16 - HD3 ARG 23 far 0 100 0 - 7.5-17.9 HA THR 18 - HD3 ARG 23 far 0 100 0 - 7.6-11.8 HA THR 18 - HD3 ARG 90 far 0 94 0 - 7.6-34.7 HA TYR 76 - HD2 ARG 90 far 0 50 0 - 7.7-8.8 HA ALA 16 - HD2 ARG 90 far 0 92 0 - 7.8-39.1 HA SER 74 - HD2 ARG 23 far 0 97 0 - 8.0-27.0 HA LYS 19 - HD2 ARG 90 far 0 90 0 - 8.0-34.5 HA TYR 76 - HD3 ARG 90 far 0 52 0 - 8.1-10.3 HA ALA 15 - HD3 ARG 90 far 0 94 0 - 8.1-39.9 HA THR 18 - HD2 ARG 90 far 0 92 0 - 8.3-33.9 HA TYR 76 - HD3 ARG 23 far 0 59 0 - 8.6-26.1 HA ALA 15 - HD3 ARG 23 far 0 100 0 - 8.6-19.0 HA ALA 12 - HD3 ARG 90 far 0 92 0 - 8.7-34.4 HA ALA 12 - HD2 ARG 23 far 0 99 0 - 8.9-27.7 HA ALA 12 - HD2 ARG 90 far 0 90 0 - 8.9-34.6 HA ALA 16 - HD2 ARG 23 far 0 100 0 - 9.0-17.0 HA ALA 15 - HD2 ARG 90 far 0 92 0 - 9.1-39.4 HA TYR 76 - HD2 ARG 23 far 0 60 0 - 9.4-25.9 HA ALA 12 - HD3 ARG 23 far 0 98 0 - 9.8-28.7 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 24 assignments used, quality = 1.00: * HB2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-3.4 3.7=100 HB2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.1-3.9 3.7=100 HG3 ARG 90 + HD3 ARG 90 OK 83 83 100 100 2.2-2.9 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 81 81 100 100 2.6-3.0 3.0=100 HB2 LYS 24 - HD3 ARG 23 far 0 98 0 - 5.1-9.4 HB2 LYS 19 - HD3 ARG 90 far 0 90 0 - 5.2-37.5 HB2 LYS 31 - HD2 ARG 23 far 0 98 0 - 5.2-19.4 HB2 LYS 19 - HD2 ARG 23 far 0 98 0 - 6.0-12.4 HB2 LYS 31 - HD3 ARG 23 far 0 97 0 - 6.1-19.7 HG13 ILE 129 - HD3 ARG 90 far 0 91 0 - 6.2-12.2 HG13 ILE 129 - HD2 ARG 90 far 0 89 0 - 6.2-12.1 HB2 LYS 19 - HD2 ARG 90 far 0 88 0 - 6.2-36.5 HB ILE 80 - HD2 ARG 90 far 0 77 0 - 6.4-7.0 HB2 LYS 24 - HD2 ARG 23 far 0 99 0 - 6.5-9.5 HB2 LYS 19 - HD3 ARG 23 far 0 97 0 - 6.6-13.0 HB2 LYS 26 - HD2 ARG 23 far 0 99 0 - 6.7-13.6 HB2 LYS 26 - HD3 ARG 23 far 0 98 0 - 6.9-14.4 HB ILE 80 - HD3 ARG 90 far 0 79 0 - 7.2-8.4 HG3 ARG 90 - HD3 ARG 23 far 0 91 0 - 8.0-29.3 HB2 ARG 23 - HD2 ARG 90 far 0 93 0 - 8.3-27.7 HB2 ARG 23 - HD3 ARG 90 far 0 94 0 - 8.4-28.6 HB ILE 80 - HD3 ARG 23 far 0 88 0 - 8.4-29.2 HG3 ARG 90 - HD2 ARG 23 far 0 92 0 - 8.8-29.4 HB ILE 80 - HD2 ARG 23 far 0 89 0 - 9.6-29.4 Violated in 0 structures by 0.00 A. Peak 464 from aliabs.peaks (1.82, 3.16, 42.99 ppm; 3.37 A): 4 out of 28 assignments used, quality = 1.00: * HB3 ARG 23 + HD2 ARG 23 OK 97 100 100 97 2.0-3.9 3.7=78, 11881/2.9=32...(17) HB3 ARG 23 + HD3 ARG 23 OK 92 100 95 97 2.6-4.2 3.7=78, 11881/2.9=32...(17) HB VAL 93 + HD3 ARG 90 OK 36 89 50 80 2.9-5.9 2793/5.2=22...(13) HB VAL 93 + HD2 ARG 90 OK 25 87 35 81 3.4-6.2 2.1/11415=23...(13) HB3 LYS 19 - HD2 ARG 23 far 0 97 0 - 4.6-11.3 HB3 LYS 19 - HD3 ARG 23 far 0 96 0 - 4.9-11.8 HB2 LYS 86 - HD2 ARG 90 far 0 63 0 - 4.9-7.2 HB3 LYS 19 - HD3 ARG 90 far 0 88 0 - 4.9-36.4 HB3 LYS 24 - HD3 ARG 23 far 0 99 0 - 5.1-9.9 HB3 LYS 19 - HD2 ARG 90 far 0 86 0 - 5.5-35.3 HB2 LYS 86 - HD3 ARG 90 far 0 64 0 - 5.7-8.4 HB3 LYS 31 - HD2 ARG 23 far 0 99 0 - 6.2-20.8 HB3 LYS 24 - HD2 ARG 23 far 0 100 0 - 6.8-9.9 HB2 CYS 79 - HD3 ARG 23 far 0 95 0 - 6.8-26.0 HB3 LYS 31 - HD3 ARG 23 far 0 99 0 - 7.3-21.2 HB2 CYS 79 - HD2 ARG 23 far 0 96 0 - 7.4-26.1 HB3 LYS 26 - HD3 ARG 23 far 0 100 0 - 7.5-14.7 HB2 LYS 86 - HD3 ARG 23 far 0 72 0 - 8.0-29.8 HB2 LYS 36 - HD3 ARG 23 far 0 100 0 - 8.1-22.4 HB ILE 32 - HD3 ARG 23 far 0 98 0 - 8.2-19.5 HB3 LYS 26 - HD2 ARG 23 far 0 100 0 - 8.3-13.9 HB ILE 32 - HD2 ARG 23 far 0 99 0 - 8.6-19.0 HB3 LYS 24 - HD3 ARG 90 far 0 93 0 - 9.0-25.3 HB3 ARG 23 - HD2 ARG 90 far 0 93 0 - 9.2-27.6 HB2 LYS 36 - HD2 ARG 23 far 0 100 0 - 9.2-21.8 HB3 ARG 23 - HD3 ARG 90 far 0 94 0 - 9.3-28.6 HB2 LYS 86 - HD2 ARG 23 far 0 73 0 - 9.7-30.3 HB3 LYS 24 - HD2 ARG 90 far 0 92 0 - 10.0-24.0 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 6 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 - HD2 ARG 23 far 0 85 0 - 5.1-8.7 HB2 LEU 22 - HD3 ARG 23 far 0 84 0 - 5.1-8.7 HG13 ILE 37 - HD3 ARG 23 far 0 97 0 - 8.4-25.2 HG13 ILE 37 - HD2 ARG 90 far 0 88 0 - 9.8-12.3 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 15 assignments used, quality = 1.00: * HG3 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 19 - HD3 ARG 90 far 0 54 0 - 4.0-38.1 HB3 LEU 22 - HD2 ARG 23 far 0 100 0 - 5.4-9.6 HD3 LYS 19 - HD2 ARG 90 far 0 53 0 - 5.5-37.2 HB3 LEU 22 - HD3 ARG 23 far 0 100 0 - 5.6-9.4 HG LEU 22 - HD3 ARG 23 far 0 100 0 - 6.1-10.7 HG LEU 22 - HD2 ARG 23 far 0 100 0 - 6.6-10.8 HD3 LYS 19 - HD2 ARG 23 far 0 63 0 - 7.9-12.7 HD3 LYS 19 - HD3 ARG 23 far 0 62 0 - 8.3-13.7 HG3 ARG 23 - HD2 ARG 90 far 0 93 0 - 8.8-26.7 HG LEU 70 - HD3 ARG 90 far 0 91 0 - 9.1-11.7 HG3 ARG 23 - HD3 ARG 90 far 0 94 0 - 9.2-27.7 HG LEU 70 - HD3 ARG 23 far 0 98 0 - 9.9-32.1 HG LEU 70 - HD2 ARG 90 far 0 89 0 - 10.0-12.2 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; 4.19 A increased from 3.94 A): 4 out of 43 assignments used, quality = 1.00: HA ARG 23 + HD2 ARG 23 OK 99 100 100 99 3.8-4.6 4.9=64, 423/1.8=31...(21) HA SER 74 + HD2 ARG 90 OK 63 84 100 75 3.1-4.7 11195/9659=24...(10) HA SER 74 + HD3 ARG 90 OK 60 87 95 72 2.8-5.1 11195/9659=24...(8) * HA ARG 23 + HD3 ARG 23 OK 55 100 55 99 3.8-5.2 4.9=64, 422/1.8=31...(21) HA LEU 22 - HD3 ARG 23 far 9 95 10 - 3.0-8.6 HA LEU 22 - HD2 ARG 23 far 9 94 10 - 3.1-8.6 HA ALA 21 - HD3 ARG 23 far 9 89 10 - 4.3-8.1 HA ALA 21 - HD2 ARG 23 far 9 88 10 - 2.9-9.0 HA PHE 87 - HD2 ARG 90 far 0 85 0 - 5.0-6.9 HA THR 25 - HD2 ARG 23 far 0 95 0 - 5.6-10.3 HA PHE 87 - HD3 ARG 90 far 0 89 0 - 5.6-7.0 HA LYS 19 - HD2 ARG 23 far 0 98 0 - 5.7-11.3 HA LYS 31 - HD2 ARG 23 far 0 98 0 - 5.8-20.9 HA LYS 26 - HD3 ARG 23 far 0 97 0 - 5.8-12.4 HA LYS 19 - HD3 ARG 23 far 0 99 0 - 6.2-11.9 HA ALA 21 - HD2 ARG 90 far 0 73 0 - 6.3-29.9 HA LYS 31 - HD3 ARG 23 far 0 99 0 - 6.5-21.8 HA LYS 26 - HD2 ARG 23 far 0 97 0 - 6.5-11.6 HA ALA 16 - HD3 ARG 90 far 0 92 0 - 6.6-39.8 HA THR 25 - HD3 ARG 23 far 0 96 0 - 6.7-10.7 HA THR 18 - HD2 ARG 23 far 0 100 0 - 7.0-11.3 HA LYS 19 - HD3 ARG 90 far 0 90 0 - 7.1-35.5 HA SER 74 - HD3 ARG 23 far 0 97 0 - 7.3-27.2 HA ALA 21 - HD3 ARG 90 far 0 77 0 - 7.4-30.7 HA ALA 16 - HD3 ARG 23 far 0 100 0 - 7.5-17.9 HA THR 18 - HD3 ARG 23 far 0 100 0 - 7.6-11.8 HA THR 18 - HD3 ARG 90 far 0 92 0 - 7.6-34.7 HA TYR 76 - HD2 ARG 90 far 0 47 0 - 7.7-8.8 HA ALA 16 - HD2 ARG 90 far 0 89 0 - 7.8-39.1 HA SER 74 - HD2 ARG 23 far 0 97 0 - 8.0-27.0 HA LYS 19 - HD2 ARG 90 far 0 86 0 - 8.0-34.5 HA TYR 76 - HD3 ARG 90 far 0 50 0 - 8.1-10.3 HA ALA 15 - HD3 ARG 90 far 0 92 0 - 8.1-39.9 HA THR 18 - HD2 ARG 90 far 0 88 0 - 8.3-33.9 HA TYR 76 - HD3 ARG 23 far 0 60 0 - 8.6-26.1 HA ALA 15 - HD3 ARG 23 far 0 100 0 - 8.6-19.0 HA ALA 12 - HD3 ARG 90 far 0 90 0 - 8.7-34.4 HA ALA 12 - HD2 ARG 23 far 0 98 0 - 8.9-27.7 HA ALA 12 - HD2 ARG 90 far 0 86 0 - 8.9-34.6 HA ALA 16 - HD2 ARG 23 far 0 100 0 - 9.0-17.0 HA ALA 15 - HD2 ARG 90 far 0 89 0 - 9.1-39.4 HA TYR 76 - HD2 ARG 23 far 0 59 0 - 9.4-25.9 HA ALA 12 - HD3 ARG 23 far 0 99 0 - 9.8-28.7 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 24 assignments used, quality = 1.00: * HB2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.1-3.9 3.7=100 HB2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-3.4 3.7=100 HG3 ARG 90 + HD3 ARG 90 OK 81 81 100 100 2.2-2.9 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 77 77 100 100 2.6-3.0 3.0=100 HB2 LYS 24 - HD3 ARG 23 far 0 99 0 - 5.1-9.4 HB2 LYS 19 - HD3 ARG 90 far 0 88 0 - 5.2-37.5 HB2 LYS 31 - HD2 ARG 23 far 0 97 0 - 5.2-19.4 HB2 LYS 19 - HD2 ARG 23 far 0 97 0 - 6.0-12.4 HB2 LYS 31 - HD3 ARG 23 far 0 98 0 - 6.1-19.7 HG13 ILE 129 - HD3 ARG 90 far 0 89 0 - 6.2-12.2 HG13 ILE 129 - HD2 ARG 90 far 0 85 0 - 6.2-12.1 HB2 LYS 19 - HD2 ARG 90 far 0 85 0 - 6.2-36.5 HB ILE 80 - HD2 ARG 90 far 0 73 0 - 6.4-7.0 HB2 LYS 24 - HD2 ARG 23 far 0 98 0 - 6.5-9.5 HB2 LYS 19 - HD3 ARG 23 far 0 98 0 - 6.6-13.0 HB2 LYS 26 - HD2 ARG 23 far 0 98 0 - 6.7-13.6 HB2 LYS 26 - HD3 ARG 23 far 0 99 0 - 6.9-14.4 HB ILE 80 - HD3 ARG 90 far 0 77 0 - 7.2-8.4 HG3 ARG 90 - HD3 ARG 23 far 0 92 0 - 8.0-29.3 HB2 ARG 23 - HD2 ARG 90 far 0 89 0 - 8.3-27.7 HB2 ARG 23 - HD3 ARG 90 far 0 93 0 - 8.4-28.6 HB ILE 80 - HD3 ARG 23 far 0 89 0 - 8.4-29.2 HG3 ARG 90 - HD2 ARG 23 far 0 91 0 - 8.8-29.4 HB ILE 80 - HD2 ARG 23 far 0 88 0 - 9.6-29.4 Violated in 0 structures by 0.00 A. Peak 473 from aliabs.peaks (1.82, 3.16, 42.99 ppm; 3.62 A): 4 out of 28 assignments used, quality = 1.00: * HB3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.6-4.2 3.7=97, 11881/2.9=38...(17) HB3 ARG 23 + HD2 ARG 23 OK 99 100 100 100 2.0-3.9 3.7=97, 11881/2.9=38...(17) HB VAL 93 + HD3 ARG 90 OK 38 87 50 86 2.9-5.9 2793/5.2=27...(13) HB VAL 93 + HD2 ARG 90 OK 36 84 50 87 3.4-6.2 2.1/11415=28...(13) HB3 LYS 19 - HD2 ARG 23 far 0 96 0 - 4.6-11.3 HB3 LYS 19 - HD3 ARG 23 far 0 97 0 - 4.9-11.8 HB2 LYS 86 - HD2 ARG 90 far 0 59 0 - 4.9-7.2 HB3 LYS 19 - HD3 ARG 90 far 0 86 0 - 4.9-36.4 HB3 LYS 24 - HD3 ARG 23 far 0 100 0 - 5.1-9.9 HB3 LYS 19 - HD2 ARG 90 far 0 82 0 - 5.5-35.3 HB2 LYS 86 - HD3 ARG 90 far 0 63 0 - 5.7-8.4 HB3 LYS 31 - HD2 ARG 23 far 0 99 0 - 6.2-20.8 HB3 LYS 24 - HD2 ARG 23 far 0 99 0 - 6.8-9.9 HB2 CYS 79 - HD3 ARG 23 far 0 96 0 - 6.8-26.0 HB3 LYS 31 - HD3 ARG 23 far 0 99 0 - 7.3-21.2 HB2 CYS 79 - HD2 ARG 23 far 0 95 0 - 7.4-26.1 HB3 LYS 26 - HD3 ARG 23 far 0 100 0 - 7.5-14.7 HB2 LYS 86 - HD3 ARG 23 far 0 73 0 - 8.0-29.8 HB2 LYS 36 - HD3 ARG 23 far 0 100 0 - 8.1-22.4 HB ILE 32 - HD3 ARG 23 far 0 99 0 - 8.2-19.5 HB3 LYS 26 - HD2 ARG 23 far 0 100 0 - 8.3-13.9 HB ILE 32 - HD2 ARG 23 far 0 98 0 - 8.6-19.0 HB3 LYS 24 - HD3 ARG 90 far 0 92 0 - 9.0-25.3 HB3 ARG 23 - HD2 ARG 90 far 0 89 0 - 9.2-27.6 HB2 LYS 36 - HD2 ARG 23 far 0 100 0 - 9.2-21.8 HB3 ARG 23 - HD3 ARG 90 far 0 93 0 - 9.3-28.6 HB2 LYS 86 - HD2 ARG 23 far 0 72 0 - 9.7-30.3 HB3 LYS 24 - HD2 ARG 90 far 0 88 0 - 10.0-24.0 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 6 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 - HD2 ARG 23 far 0 84 0 - 5.1-8.7 HB2 LEU 22 - HD3 ARG 23 far 0 85 0 - 5.1-8.7 HG13 ILE 37 - HD3 ARG 23 far 0 98 0 - 8.4-25.2 HG13 ILE 37 - HD2 ARG 90 far 0 85 0 - 9.8-12.3 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 15 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 2.2-3.0 3.0=100 HD3 LYS 19 - HD3 ARG 90 far 3 53 5 - 4.0-38.1 HB3 LEU 22 - HD2 ARG 23 far 0 100 0 - 5.4-9.6 HD3 LYS 19 - HD2 ARG 90 far 0 50 0 - 5.5-37.2 HB3 LEU 22 - HD3 ARG 23 far 0 100 0 - 5.6-9.4 HG LEU 22 - HD3 ARG 23 far 0 100 0 - 6.1-10.7 HG LEU 22 - HD2 ARG 23 far 0 100 0 - 6.6-10.8 HD3 LYS 19 - HD2 ARG 23 far 0 62 0 - 7.9-12.7 HD3 LYS 19 - HD3 ARG 23 far 0 63 0 - 8.3-13.7 HG3 ARG 23 - HD2 ARG 90 far 0 89 0 - 8.8-26.7 HG LEU 70 - HD3 ARG 90 far 0 89 0 - 9.1-11.7 HG3 ARG 23 - HD3 ARG 90 far 0 93 0 - 9.2-27.7 HG LEU 70 - HD3 ARG 23 far 0 99 0 - 9.9-32.1 HG LEU 70 - HD2 ARG 90 far 0 85 0 - 10.0-12.2 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 2.7-2.9 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 8 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 far 0 99 0 - 4.2-6.0 HB2 LYS 31 - HA LYS 24 far 0 100 0 - 6.7-18.9 HG13 ILE 129 - HA ASP 47 far 0 84 0 - 8.1-11.7 HB2 LYS 19 - HA LYS 24 far 0 100 0 - 8.2-14.3 HB2 LYS 26 - HA LYS 24 far 0 100 0 - 8.3-9.7 HG LEU 100 - HA ASN 59 far 0 50 0 - 9.2-10.2 HB ILE 80 - HA LYS 24 far 0 98 0 - 9.9-25.9 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 9 assignments used, quality = 1.00: * HB3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.4-3.0 502=100, 2.9/513=37...(25) HB3 ARG 23 - HA LYS 24 far 0 100 0 - 4.6-5.5 HB3 LEU 103 - HA ASN 59 far 0 68 0 - 6.2-7.2 HB2 CYS 79 - HA LYS 24 far 0 90 0 - 6.8-22.9 HB3 LYS 19 - HA LYS 24 far 0 99 0 - 7.0-13.4 HB3 LEU 122 - HA ASN 59 far 0 61 0 - 7.9-10.3 HB3 LYS 31 - HA LYS 24 far 0 100 0 - 8.3-20.2 HB3 LYS 26 - HA LYS 24 far 0 100 0 - 9.0-10.1 HB ILE 32 - HA LYS 24 far 0 100 0 - 9.7-15.8 Violated in 2 structures by 0.01 A. Peak 483 from aliabs.peaks (1.38, 4.33, 56.43 ppm; 3.58 A increased from 3.02 A): 1 out of 13 assignments used, quality = 1.00: * HG2 LYS 24 + HA LYS 24 OK 100 100 100 100 2.8-3.5 513=100, 2.9/482=70...(33) QB ALA 109 - HA ASN 59 far 13 85 15 - 3.9-5.3 QB ALA 28 - HA LYS 24 far 0 99 0 - 4.8-13.4 QB ALA 21 - HA LYS 24 far 0 57 0 - 6.0-8.3 QB ALA 110 - HA ASN 59 far 0 90 0 - 6.4-8.2 HG3 LYS 26 - HA LYS 24 far 0 100 0 - 6.9-8.6 QB ALA 108 - HA ASN 59 far 0 91 0 - 7.4-8.5 HG3 LYS 31 - HA LYS 24 far 0 98 0 - 7.6-20.0 QB ALA 29 - HA LYS 24 far 0 100 0 - 8.4-15.1 HG2 LYS 19 - HA LYS 24 far 0 99 0 - 8.9-13.3 HB2 LEU 42 - HA ASP 47 far 0 84 0 - 9.8-10.4 QB ALA 16 - HA LYS 24 far 0 92 0 - 9.9-16.6 HB3 LEU 100 - HA ASN 59 far 0 91 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 484 from aliabs.peaks (1.45, 4.33, 56.43 ppm; 3.81 A increased from 3.38 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.5-3.8 524=100, 1.8/513=82...(33) HG2 LYS 31 - HA LYS 24 far 0 98 0 - 7.4-21.3 HG2 LYS 26 - HA LYS 24 far 0 89 0 - 7.5-10.3 HG13 ILE 32 - HA LYS 24 far 0 85 0 - 8.8-14.5 HG3 LYS 19 - HA LYS 24 far 0 97 0 - 8.9-14.1 Violated in 1 structures by 0.00 A. Peak 485 from aliabs.peaks (1.66, 4.33, 56.43 ppm; 3.85 A increased from 3.62 A): 3 out of 12 assignments used, quality = 1.00: * HD2 LYS 24 + HA LYS 24 OK 90 100 90 100 2.6-4.8 3.5/482=66, 3.0/513=65...(30) HD3 LYS 24 + HA LYS 24 OK 84 99 85 100 2.0-4.5 3.5/482=66, 3.0/513=65...(30) HG LEU 62 + HA ASN 59 OK 78 78 100 100 3.5-3.9 2.1/9388=71, 3.0/1880=46...(21) HD2 LYS 26 - HA LYS 24 far 0 100 0 - 7.9-11.1 HG LEU 43 - HA ASP 47 far 0 67 0 - 8.4-9.0 HD3 LYS 26 - HA LYS 24 far 0 100 0 - 8.7-11.1 HD2 LYS 86 - HA LYS 24 far 0 100 0 - 9.2-23.8 HB2 LEU 123 - HA ASP 47 far 0 76 0 - 9.3-10.6 HB2 LEU 69 - HA ASP 47 far 0 78 0 - 9.4-9.7 HD3 LYS 31 - HA LYS 24 far 0 100 0 - 9.8-20.6 HB2 LEU 123 - HA ASN 59 far 0 84 0 - 9.9-11.7 HD2 LYS 31 - HA LYS 24 far 0 99 0 - 9.9-21.9 Violated in 0 structures by 0.00 A. Peak 486 from aliabs.peaks (1.65, 4.33, 56.43 ppm; 3.85 A increased from 3.62 A): 3 out of 12 assignments used, quality = 1.00: HD2 LYS 24 + HA LYS 24 OK 89 99 90 100 2.6-4.8 3.5/482=66, 3.0/513=65...(30) HG LEU 62 + HA ASN 59 OK 88 88 100 100 3.5-3.9 2.1/9388=71, 11000=48...(21) * HD3 LYS 24 + HA LYS 24 OK 85 100 85 100 2.0-4.5 3.5/482=66, 3.0/513=65...(30) HD2 LYS 26 - HA LYS 24 far 0 99 0 - 7.9-11.1 HG LEU 43 - HA ASP 47 far 0 79 0 - 8.4-9.0 HD3 LYS 26 - HA LYS 24 far 0 98 0 - 8.7-11.1 HD2 LYS 86 - HA LYS 24 far 0 100 0 - 9.2-23.8 HB2 LEU 123 - HA ASP 47 far 0 83 0 - 9.3-10.6 HB2 LEU 69 - HA ASP 47 far 0 84 0 - 9.4-9.7 HD3 LYS 31 - HA LYS 24 far 0 100 0 - 9.8-20.6 HB2 LEU 123 - HA ASN 59 far 0 91 0 - 9.9-11.7 HD2 LYS 31 - HA LYS 24 far 0 100 0 - 9.9-21.9 Violated in 0 structures by 0.00 A. Peak 491 from aliabs.peaks (4.33, 1.74, 32.59 ppm; 3.04 A): 1 out of 13 assignments used, quality = 1.00: * HA LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLN 134 - HB2 LYS 39 far 0 35 0 - 5.0-6.8 HA2 GLY 75 - HB2 LYS 19 far 0 100 0 - 6.5-30.9 HA PRO 81 - HB2 LYS 19 far 0 100 0 - 6.6-36.0 HA LYS 24 - HB2 LYS 31 far 0 100 0 - 6.7-18.9 HA PRO 81 - HB2 LYS 39 far 0 58 0 - 7.5-10.8 HA TYR 76 - HB2 LYS 39 far 0 38 0 - 7.8-9.7 HA LYS 24 - HB2 LYS 19 far 0 100 0 - 8.2-14.3 HA LYS 24 - HB2 LYS 26 far 0 100 0 - 8.3-9.7 HA2 GLY 75 - HB2 LYS 26 far 0 100 0 - 8.5-14.8 HA ASP 131 - HB2 LYS 39 far 0 40 0 - 9.0-11.3 HA2 GLY 75 - HB2 LYS 24 far 0 100 0 - 9.1-18.2 HA TYR 76 - HB2 LYS 19 far 0 78 0 - 9.9-33.3 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 28 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 LYS 26 - HB2 LYS 31 far 5 100 5 - 2.8-9.8 HB3 LYS 31 - HB2 LYS 26 far 0 100 0 - 3.3-12.5 HB3 LYS 19 - HB2 LYS 24 far 0 99 0 - 4.2-14.4 HB3 ARG 23 - HB2 LYS 31 far 0 100 0 - 5.4-19.6 HB ILE 32 - HB2 LYS 26 far 0 100 0 - 5.4-8.5 HB ILE 32 - HB2 LYS 31 far 0 100 0 - 6.0-6.4 HB3 ARG 23 - HB2 LYS 24 far 0 100 0 - 6.1-7.3 HB3 LYS 19 - HB2 LYS 31 far 0 99 0 - 6.3-22.1 HB3 ARG 23 - HB2 LYS 26 far 0 100 0 - 6.4-12.2 HB3 LYS 31 - HB2 LYS 19 far 0 100 0 - 6.5-25.3 HB3 ARG 23 - HB2 LYS 19 far 0 100 0 - 6.5-12.1 HB3 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.6-15.6 HB2 CYS 79 - HB2 LYS 39 far 0 47 0 - 6.8-9.6 HB2 CYS 79 - HB2 LYS 19 far 0 90 0 - 7.0-32.6 HB3 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.9-19.1 HB3 LYS 24 - HB2 LYS 31 far 0 100 0 - 7.9-18.7 HB3 LYS 24 - HB2 LYS 26 far 0 100 0 - 8.1-9.9 HB2 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.3-14.6 HB3 ARG 135 - HB2 LYS 39 far 0 57 0 - 8.3-11.2 HB3 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.6-10.2 HB2 LYS 36 - HB2 LYS 31 far 0 100 0 - 9.1-11.4 HB2 CYS 79 - HB2 LYS 24 far 0 90 0 - 9.4-22.1 HB2 LYS 86 - HB2 LYS 19 far 0 83 0 - 9.5-37.3 HB3 LYS 19 - HB2 LYS 26 far 0 99 0 - 9.7-17.7 Violated in 0 structures by 0.00 A. Peak 494 from aliabs.peaks (1.38, 1.74, 32.59 ppm; 3.53 A): 4 out of 32 assignments used, quality = 1.00: * HG2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.9-2.9 3.0=100 HG3 LYS 31 + HB2 LYS 31 OK 98 98 100 100 2.3-3.0 3.0=100 HG3 LYS 26 - HB2 LYS 31 far 10 99 10 - 4.0-11.8 QB ALA 21 - HB2 LYS 24 far 3 57 5 - 3.8-9.4 QB ALA 28 - HB2 LYS 26 far 0 99 0 - 4.3-7.9 QB ALA 29 - HB2 LYS 26 far 0 100 0 - 4.8-8.9 HG3 LYS 31 - HB2 LYS 26 far 0 98 0 - 5.1-12.9 HB2 LEU 42 - HB2 LYS 39 far 0 57 0 - 5.3-6.0 QB ALA 15 - HB2 LYS 19 far 0 100 0 - 5.5-12.4 QB ALA 16 - HB2 LYS 19 far 0 92 0 - 5.7-9.3 QB ALA 12 - HB2 LYS 31 far 0 88 0 - 5.8-31.3 QB ALA 28 - HB2 LYS 24 far 0 99 0 - 5.9-13.1 HG3 LYS 31 - HB2 LYS 19 far 0 98 0 - 6.0-26.3 QB ALA 21 - HB2 LYS 19 far 0 57 0 - 6.1-6.5 QB ALA 28 - HB2 LYS 31 far 0 98 0 - 6.3-7.9 HG2 LYS 19 - HB2 LYS 24 far 0 99 0 - 6.4-14.3 HG2 LYS 24 - HB2 LYS 31 far 0 100 0 - 6.6-18.9 HG2 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.7-13.0 QB ALA 16 - HB2 LYS 31 far 0 91 0 - 6.8-23.1 QB ALA 29 - HB2 LYS 31 far 0 100 0 - 7.0-7.5 HG3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.1-8.9 QB ALA 21 - HB2 LYS 31 far 0 57 0 - 7.1-19.2 HG2 LYS 19 - HB2 LYS 31 far 0 99 0 - 7.6-22.5 QB ALA 12 - HB2 LYS 19 far 0 88 0 - 7.7-19.6 HG3 LYS 31 - HB2 LYS 24 far 0 98 0 - 7.7-20.6 QB ALA 29 - HB2 LYS 24 far 0 100 0 - 7.9-14.1 QB ALA 21 - HB2 LYS 26 far 0 57 0 - 8.3-13.5 QB ALA 15 - HB2 LYS 24 far 0 100 0 - 9.2-18.3 HG2 LYS 24 - HB2 LYS 26 far 0 100 0 - 9.2-11.0 HG3 LYS 26 - HB2 LYS 19 far 0 100 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 495 from aliabs.peaks (1.45, 1.74, 32.59 ppm; 3.44 A): 4 out of 19 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 2.2-2.9 3.0=100 HG3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.7-2.8 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 poor 18 88 20 - 2.4-11.6 HG2 LYS 31 - HB2 LYS 26 far 0 98 0 - 4.5-14.0 HG13 ILE 32 - HB2 LYS 26 far 0 85 0 - 4.5-7.0 HG13 ILE 32 - HB2 LYS 31 far 0 84 0 - 4.6-6.1 HG3 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.1-14.5 HG3 LYS 19 - HB2 LYS 24 far 0 97 0 - 6.3-15.3 HG3 LYS 19 - HB2 LYS 31 far 0 97 0 - 6.6-22.5 HG2 LYS 31 - HB2 LYS 19 far 0 98 0 - 7.2-24.6 HG2 LYS 26 - HB2 LYS 24 far 0 89 0 - 7.3-9.8 HG3 LYS 24 - HB2 LYS 31 far 0 100 0 - 7.4-19.6 HG3 LYS 86 - HB2 LYS 19 far 0 63 0 - 7.5-36.2 HG2 LYS 31 - HB2 LYS 24 far 0 98 0 - 8.1-20.1 HG13 ILE 32 - HB2 LYS 24 far 0 85 0 - 9.1-14.3 HG3 LYS 19 - HB2 LYS 26 far 0 97 0 - 9.5-17.7 HG3 LYS 24 - HB2 LYS 26 far 0 100 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 496 from aliabs.peaks (1.66, 1.74, 32.59 ppm; 4.74 A): 10 out of 34 assignments used, quality = 1.00: * HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.6-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.3-3.9 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.1-4.0 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 2.1-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.6-3.7 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 96 96 100 100 2.2-3.2 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 94 94 100 100 2.0-3.5 3.9=100 HD2 LYS 39 + HB2 LYS 39 OK 44 44 100 100 2.6-3.7 3.6=100 HG LEU 43 + HB2 LYS 39 OK 44 44 100 100 3.4-5.3 ~11901=55, ~11073=44...(23) HD3 LYS 26 - HB2 LYS 31 poor 20 100 20 - 2.1-9.6 HD2 LYS 26 - HB2 LYS 31 poor 20 100 20 - 3.7-10.0 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.6-25.0 HD2 LYS 31 - HB2 LYS 19 far 5 99 5 - 5.2-25.0 HD2 LYS 31 - HB2 LYS 26 far 0 99 0 - 5.4-13.3 HD3 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.1-13.8 HD2 LYS 86 - HB2 LYS 19 far 0 100 0 - 6.5-34.1 HD3 LYS 86 - HB2 LYS 19 far 0 99 0 - 7.1-35.0 HD2 LYS 19 - HB2 LYS 24 far 0 97 0 - 7.3-16.3 HD3 LYS 24 - HB2 LYS 19 far 0 99 0 - 7.9-15.5 HD3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.9-11.0 HD3 LYS 19 - HB2 LYS 31 far 0 94 0 - 8.2-24.6 HD2 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.2-15.2 HD3 LYS 19 - HB2 LYS 24 far 0 95 0 - 8.2-16.3 HD2 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.4-9.8 HD3 LYS 24 - HB2 LYS 26 far 0 99 0 - 8.4-11.9 HD2 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.6-11.1 HD2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.8-21.3 HD2 LYS 19 - HB2 LYS 31 far 0 96 0 - 9.2-25.0 HD3 LYS 24 - HB2 LYS 31 far 0 98 0 - 9.4-20.4 HD2 LYS 24 - HB2 LYS 26 far 0 100 0 - 9.6-12.5 HD3 LYS 36 - HB2 LYS 31 far 0 100 0 - 9.7-11.4 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.2 HD2 LYS 31 - HB2 LYS 24 far 0 99 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 497 from aliabs.peaks (1.65, 1.74, 32.59 ppm; 4.74 A): 10 out of 34 assignments used, quality = 1.00: * HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.6-3.7 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.2-3.2 3.9=100 HD2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.1-4.2 3.5=100 HD3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.0-3.5 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 2.1-4.0 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.6-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 98 98 100 100 2.3-3.9 3.5=100 HG LEU 43 + HB2 LYS 39 OK 53 53 100 100 3.4-5.3 ~11901=55, ~11073=44...(23) HD2 LYS 39 + HB2 LYS 39 OK 32 32 100 100 2.6-3.7 3.6=100 HD2 LYS 26 - HB2 LYS 31 poor 20 99 20 - 3.7-10.0 HD3 LYS 26 - HB2 LYS 31 poor 20 98 20 - 2.1-9.6 HD2 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.2-25.0 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.6-25.0 HD2 LYS 31 - HB2 LYS 26 far 0 100 0 - 5.4-13.3 HD3 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.1-13.8 HD2 LYS 86 - HB2 LYS 19 far 0 100 0 - 6.5-34.1 HD3 LYS 86 - HB2 LYS 19 far 0 100 0 - 7.1-35.0 HD2 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.3-16.3 HD3 LYS 24 - HB2 LYS 19 far 0 100 0 - 7.9-15.5 HD3 LYS 26 - HB2 LYS 24 far 0 98 0 - 7.9-11.0 HD3 LYS 19 - HB2 LYS 31 far 0 99 0 - 8.2-24.6 HD2 LYS 24 - HB2 LYS 19 far 0 99 0 - 8.2-15.2 HD3 LYS 19 - HB2 LYS 24 far 0 100 0 - 8.2-16.3 HD2 LYS 36 - HB2 LYS 31 far 0 98 0 - 8.4-9.8 HD3 LYS 24 - HB2 LYS 26 far 0 100 0 - 8.4-11.9 HD2 LYS 26 - HB2 LYS 24 far 0 99 0 - 8.6-11.1 HD2 LYS 24 - HB2 LYS 31 far 0 98 0 - 8.8-21.3 HD2 LYS 19 - HB2 LYS 31 far 0 100 0 - 9.2-25.0 HD3 LYS 24 - HB2 LYS 31 far 0 100 0 - 9.4-20.4 HD2 LYS 24 - HB2 LYS 26 far 0 99 0 - 9.6-12.5 HD3 LYS 36 - HB2 LYS 31 far 0 98 0 - 9.7-11.4 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.2 HD2 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 498 from aliabs.peaks (2.95, 1.74, 32.59 ppm; 5.83 A): 10 out of 31 assignments used, quality = 1.00: * HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 3.6-5.5 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.0-5.1 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.5-4.5 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.9-4.6 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.2-5.4 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 99 99 100 100 4.2-5.5 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.4-5.5 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 98 98 100 100 3.5-5.0 4.8=100 HE2 LYS 39 + HB2 LYS 39 OK 35 35 100 100 2.1-4.7 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 35 35 100 100 3.6-5.2 4.9=100 HE2 LYS 26 - HB2 LYS 31 poor 20 99 20 - 4.9-11.4 HE3 LYS 31 - HB2 LYS 19 far 5 100 5 - 6.4-27.0 HE3 LYS 26 - HB2 LYS 31 lone 1 98 25 6 4.4-12.1 6337/6331=1 HE3 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.6-15.7 HE3 LYS 24 - HB2 LYS 19 far 0 99 0 - 6.8-15.7 HE2 LYS 31 - HB2 LYS 26 far 0 99 0 - 6.8-15.8 HE2 LYS 31 - HB2 LYS 19 far 0 99 0 - 7.3-27.4 HE3 LYS 26 - HB2 LYS 24 far 0 98 0 - 7.4-9.9 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.5-17.7 HE2 LYS 24 - HB2 LYS 19 far 0 100 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.8-17.5 HE3 LYS 19 - HB2 LYS 31 far 0 100 0 - 7.9-25.8 HE3 LYS 86 - HB2 LYS 19 far 0 100 0 - 8.3-35.8 HE2 LYS 26 - HB2 LYS 24 far 0 99 0 - 8.3-10.9 HE2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.4-21.1 HE2 LYS 19 - HB2 LYS 31 far 0 100 0 - 8.4-24.2 HE3 LYS 36 - HB2 LYS 31 far 0 99 0 - 8.4-11.9 HE3 LYS 26 - HB2 LYS 19 far 0 98 0 - 8.5-20.9 HE2 LYS 36 - HB2 LYS 31 far 0 99 0 - 8.8-11.9 HE2 LYS 26 - HB2 LYS 19 far 0 99 0 - 9.3-21.9 HE3 LYS 24 - HB2 LYS 31 far 0 99 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 499 from aliabs.peaks (2.94, 1.74, 32.59 ppm; 6.06 A): 10 out of 31 assignments used, quality = 1.00: * HE3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.2-5.4 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 3.6-5.5 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 3.0-5.1 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 98 98 100 100 2.5-4.5 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 98 98 100 100 2.9-4.6 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 4.2-5.5 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 95 95 100 100 2.4-5.5 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 92 92 100 100 3.5-5.0 4.8=100 HE2 LYS 39 + HB2 LYS 39 OK 44 44 100 100 2.1-4.7 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 44 44 100 100 3.6-5.2 4.9=100 HE2 LYS 26 - HB2 LYS 31 poor 19 95 20 - 4.9-11.4 HE3 LYS 31 - HB2 LYS 19 far 5 99 5 - 6.4-27.0 HE3 LYS 31 - HB2 LYS 26 far 5 99 5 - 6.6-15.7 HE3 LYS 26 - HB2 LYS 31 lone 1 91 25 6 4.4-12.1 6337/6331=2, 3.0/294=1 HE3 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.8-15.7 HE2 LYS 31 - HB2 LYS 26 far 0 96 0 - 6.8-15.8 HE2 LYS 31 - HB2 LYS 19 far 0 95 0 - 7.3-27.4 HE3 LYS 26 - HB2 LYS 24 far 0 92 0 - 7.4-9.9 HE3 LYS 19 - HB2 LYS 24 far 0 98 0 - 7.5-17.7 HE2 LYS 24 - HB2 LYS 19 far 0 99 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 98 0 - 7.8-17.5 HE3 LYS 19 - HB2 LYS 31 far 0 98 0 - 7.9-25.8 HE3 LYS 86 - HB2 LYS 19 far 0 99 0 - 8.3-35.8 HE2 LYS 26 - HB2 LYS 24 far 0 96 0 - 8.3-10.9 HE2 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.4-21.1 HE2 LYS 19 - HB2 LYS 31 far 0 98 0 - 8.4-24.2 HE3 LYS 36 - HB2 LYS 31 far 0 94 0 - 8.4-11.9 HE3 LYS 26 - HB2 LYS 19 far 0 92 0 - 8.5-20.9 HE2 LYS 36 - HB2 LYS 31 far 0 94 0 - 8.8-11.9 HE2 LYS 26 - HB2 LYS 19 far 0 95 0 - 9.3-21.9 HE3 LYS 24 - HB2 LYS 31 far 0 100 0 - 9.9-21.4 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 11 assignments used, quality = 1.00: * HA LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.4-3.0 3.0=100 HA PRO 81 - HB3 LYS 19 far 0 97 0 - 5.7-34.6 HA2 GLY 75 - HB3 LYS 19 far 0 96 0 - 6.6-29.6 HA LYS 24 - HB3 LYS 19 far 0 97 0 - 7.0-13.4 HA LYS 24 - HB3 LYS 31 far 0 100 0 - 8.3-20.2 HA TYR 76 - HB2 LYS 36 far 0 57 0 - 8.3-10.4 HA2 GLY 75 - HB2 LYS 36 far 0 80 0 - 8.5-11.4 HA2 GLY 75 - HB3 LYS 24 far 0 100 0 - 8.5-19.4 HA LYS 24 - HB3 LYS 26 far 0 100 0 - 9.0-10.1 HA2 GLY 75 - HB3 LYS 26 far 0 100 0 - 9.3-13.9 HA TYR 76 - HB3 LYS 19 far 0 72 0 - 9.6-31.8 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 23 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 31 - HB3 LYS 26 far 5 100 5 - 2.8-9.8 HB2 LYS 26 - HB3 LYS 31 far 0 100 0 - 3.3-12.5 HB2 ARG 23 - HB3 LYS 19 far 0 94 0 - 4.0-9.5 HB2 LYS 24 - HB3 LYS 19 far 0 97 0 - 4.2-14.4 HB2 ARG 23 - HB3 LYS 31 far 0 98 0 - 5.4-20.0 HB2 LYS 31 - HB3 LYS 19 far 0 97 0 - 6.3-22.1 HB2 ARG 23 - HB3 LYS 24 far 0 99 0 - 6.3-7.9 HB2 LYS 19 - HB3 LYS 31 far 0 100 0 - 6.5-25.3 HB2 LYS 19 - HB3 LYS 24 far 0 100 0 - 6.6-15.6 HG3 ARG 90 - HB3 LYS 19 far 0 95 0 - 7.1-35.7 HB2 LYS 24 - HB3 LYS 31 far 0 100 0 - 7.9-19.1 HB2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.9-18.7 HB2 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.1-9.9 HB ILE 80 - HB3 LYS 19 far 0 93 0 - 8.3-34.8 HB2 LYS 26 - HB2 LYS 36 far 0 81 0 - 8.3-14.6 HB2 LYS 24 - HB3 LYS 26 far 0 100 0 - 8.6-10.2 HB2 ARG 23 - HB3 LYS 26 far 0 99 0 - 8.8-12.3 HB2 LYS 31 - HB2 LYS 36 far 0 81 0 - 9.1-11.4 HB2 LYS 26 - HB3 LYS 19 far 0 97 0 - 9.7-17.7 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): 5 out of 35 assignments used, quality = 1.00: * HG2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.5-3.0 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 2.7-2.8 3.0=100 HG2 LYS 36 + HB2 LYS 36 OK 80 80 100 100 2.7-2.9 3.0=100 QB ALA 28 - HB3 LYS 26 far 10 99 10 - 3.7-6.5 QB ALA 29 - HB3 LYS 26 far 5 100 5 - 4.0-7.6 HG3 LYS 31 - HB3 LYS 19 far 0 93 0 - 4.5-24.5 QB ALA 29 - HB2 LYS 36 far 0 81 0 - 5.0-8.1 HG3 LYS 31 - HB3 LYS 26 far 0 98 0 - 5.1-11.5 QB ALA 15 - HB3 LYS 19 far 0 96 0 - 5.1-12.8 QB ALA 21 - HB3 LYS 24 far 0 57 0 - 5.2-9.7 HG3 LYS 26 - HB3 LYS 31 far 0 99 0 - 5.2-13.1 QB ALA 21 - HB3 LYS 19 far 0 52 0 - 5.9-6.6 HG2 LYS 24 - HB3 LYS 19 far 0 97 0 - 5.9-12.2 QB ALA 12 - HB3 LYS 31 far 0 88 0 - 6.1-32.3 QB ALA 28 - HB3 LYS 31 far 0 98 0 - 6.3-7.6 QB ALA 28 - HB3 LYS 24 far 0 99 0 - 6.4-12.7 QB ALA 16 - HB3 LYS 31 far 0 91 0 - 6.4-24.2 QB ALA 16 - HB3 LYS 19 far 0 86 0 - 6.6-10.0 HG2 LYS 19 - HB3 LYS 31 far 0 99 0 - 6.7-24.1 QB ALA 12 - HB3 LYS 19 far 0 83 0 - 6.9-20.3 QB ALA 29 - HB3 LYS 31 far 0 100 0 - 7.0-7.7 QB ALA 21 - HB3 LYS 31 far 0 56 0 - 7.1-20.5 HG3 LYS 31 - HB2 LYS 36 far 0 77 0 - 7.5-12.4 HG3 LYS 26 - HB3 LYS 24 far 0 100 0 - 7.5-8.6 HG2 LYS 24 - HB3 LYS 31 far 0 100 0 - 7.8-20.3 QB ALA 29 - HB3 LYS 24 far 0 100 0 - 7.8-14.9 HG3 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.9-18.0 HG2 LYS 19 - HB3 LYS 24 far 0 99 0 - 8.1-14.8 QB ALA 21 - HB3 LYS 26 far 0 57 0 - 8.3-13.9 HG3 LYS 26 - HB2 LYS 36 far 0 80 0 - 8.6-13.7 HG3 LYS 31 - HB3 LYS 24 far 0 98 0 - 8.9-20.1 QB ALA 12 - HB2 LYS 36 far 0 66 0 - 9.6-35.7 QB ALA 28 - HB2 LYS 36 far 0 78 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 506 from aliabs.peaks (1.45, 1.81, 32.59 ppm; 3.66 A): 6 out of 23 assignments used, quality = 1.00: * HG3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.4-2.7 2.9=100 HG2 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HB3 LYS 19 OK 93 93 100 100 2.2-2.2 3.0=100 HG2 LYS 26 + HB3 LYS 26 OK 89 89 100 100 2.3-3.0 3.0=100 HG3 LYS 36 + HB2 LYS 36 OK 75 75 100 100 2.2-2.9 3.0=100 HG13 ILE 32 + HB3 LYS 26 OK 35 85 50 84 3.2-5.7 1.8/913=25, 2.1/10751=24...(20) HG2 LYS 26 - HB3 LYS 31 far 9 88 10 - 3.5-12.8 HG2 LYS 31 - HB3 LYS 26 far 0 98 0 - 5.1-12.2 HG13 ILE 32 - HB3 LYS 31 far 0 84 0 - 5.5-6.8 HG2 LYS 31 - HB3 LYS 19 far 0 93 0 - 5.6-22.9 HG3 LYS 24 - HB3 LYS 19 far 0 97 0 - 5.6-13.8 HG3 LYS 19 - HB3 LYS 31 far 0 97 0 - 6.3-24.1 HG13 ILE 32 - HB2 LYS 36 far 0 62 0 - 7.2-9.3 HG2 LYS 26 - HB3 LYS 24 far 0 89 0 - 7.5-10.2 HG3 LYS 19 - HB3 LYS 24 far 0 97 0 - 7.9-15.5 HG3 LYS 86 - HB3 LYS 19 far 0 57 0 - 8.1-35.0 HG2 LYS 26 - HB2 LYS 36 far 0 66 0 - 8.3-12.6 HG3 LYS 24 - HB3 LYS 31 far 0 100 0 - 8.8-21.0 HG2 LYS 31 - HB2 LYS 36 far 0 77 0 - 9.0-11.1 HG2 LYS 31 - HB3 LYS 24 far 0 98 0 - 9.1-21.2 HG2 LYS 26 - HB3 LYS 19 far 0 83 0 - 9.5-18.7 HG3 LYS 19 - HB3 LYS 26 far 0 97 0 - 9.9-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 85 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 507 from aliabs.peaks (1.66, 1.81, 32.59 ppm; 4.30 A): 10 out of 36 assignments used, quality = 1.00: * HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-3.3 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-3.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-4.1 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.0-3.8 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.1-3.7 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 92 92 100 100 3.5-4.1 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 89 89 100 100 3.3-4.2 3.9=100 HD3 LYS 36 + HB2 LYS 36 OK 81 81 100 100 3.0-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.0-3.2 3.5=100 HD3 LYS 26 - HB3 LYS 31 far 10 100 10 - 3.5-10.7 HD2 LYS 26 - HB3 LYS 31 far 5 100 5 - 4.7-11.2 HD3 LYS 31 - HB3 LYS 19 far 5 97 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 19 far 5 95 5 - 3.4-23.3 HD2 LYS 31 - HB3 LYS 26 far 0 99 0 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 81 0 - 6.1-12.6 HD2 LYS 26 - HB2 LYS 36 far 0 81 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 94 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 97 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 96 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 100 0 - 6.8-12.2 HD3 LYS 86 - HB3 LYS 19 far 0 94 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 94 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 81 0 - 8.1-12.5 HD2 LYS 31 - HB2 LYS 36 far 0 79 0 - 8.3-12.3 HD2 LYS 19 - HB3 LYS 31 far 0 96 0 - 8.4-26.6 HD3 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 97 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 100 0 - 9.3-10.5 HD3 LYS 24 - HB3 LYS 26 far 0 99 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 97 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 97 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 100 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 95 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 508 from aliabs.peaks (1.65, 1.81, 32.59 ppm; 4.31 A): 10 out of 36 assignments used, quality = 1.00: * HD3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.1-3.7 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-3.8 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.0-3.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.1-4.1 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.5-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 98 98 100 100 2.0-3.3 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 97 97 100 100 3.5-4.1 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 96 96 100 100 3.3-4.2 3.9=100 HD3 LYS 36 + HB2 LYS 36 OK 78 78 100 100 3.0-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 77 77 100 100 2.0-3.2 3.5=100 HD3 LYS 26 - HB3 LYS 31 far 10 97 10 - 3.5-10.7 HD2 LYS 26 - HB3 LYS 31 far 5 99 5 - 4.7-11.2 HD2 LYS 31 - HB3 LYS 19 far 5 97 5 - 3.4-23.3 HD3 LYS 31 - HB3 LYS 19 far 5 96 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 26 far 0 100 0 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 77 0 - 6.1-12.6 HD2 LYS 26 - HB2 LYS 36 far 0 79 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 97 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 94 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 97 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 100 0 - 6.8-12.2 HD3 LYS 86 - HB3 LYS 19 far 0 97 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 99 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 80 0 - 8.1-12.5 HD2 LYS 31 - HB2 LYS 36 far 0 81 0 - 8.3-12.3 HD2 LYS 19 - HB3 LYS 31 far 0 100 0 - 8.4-26.6 HD3 LYS 26 - HB3 LYS 24 far 0 98 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 100 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 99 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 97 0 - 9.3-10.5 HD3 LYS 24 - HB3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 93 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 95 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 98 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 98 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 509 from aliabs.peaks (2.95, 1.81, 32.59 ppm; 6.10 A): 10 out of 34 assignments used, quality = 1.00: * HE2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.0-5.0 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-5.0 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.4-4.6 5.1=100 HE2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 3.6-5.0 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.0-5.3 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 98 98 100 100 3.7-4.6 4.8=100 HE3 LYS 19 + HB3 LYS 19 OK 97 97 100 100 3.2-5.4 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 97 97 100 100 3.3-5.4 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 79 79 100 100 2.8-4.2 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 79 79 100 100 3.5-4.5 4.9=100 HE2 LYS 26 - HB3 LYS 31 far 10 99 10 - 6.3-12.4 HE3 LYS 26 - HB3 LYS 31 far 10 97 10 - 6.0-13.3 HE3 LYS 31 - HB3 LYS 26 far 5 100 5 - 6.5-14.0 HE3 LYS 31 - HB3 LYS 19 far 5 97 5 - 4.9-25.2 HE3 LYS 24 - HB3 LYS 19 far 5 95 5 - 5.6-14.9 HE2 LYS 31 - HB3 LYS 19 far 5 95 5 - 5.6-25.7 HE2 LYS 26 - HB2 LYS 36 far 4 79 5 - 5.4-11.8 HE2 LYS 24 - HB3 LYS 19 far 0 97 0 - 6.7-14.4 HE2 LYS 31 - HB3 LYS 26 far 0 99 0 - 6.8-14.2 HE3 LYS 86 - HB3 LYS 19 far 0 97 0 - 6.9-34.7 HE3 LYS 26 - HB2 LYS 36 far 0 77 0 - 7.1-12.9 HE3 LYS 26 - HB3 LYS 19 far 0 93 0 - 7.3-19.5 HE3 LYS 26 - HB3 LYS 24 far 0 98 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 79 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 95 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 100 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 100 0 - 8.2-25.8 HE2 LYS 26 - HB3 LYS 24 far 0 99 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 81 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 100 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 100 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 510 from aliabs.peaks (2.94, 1.81, 32.59 ppm; 6.80 A): 10 out of 34 assignments used, quality = 1.00: * HE3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.4-4.6 5.1=100 HE2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.0-5.0 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.2-5.0 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 96 96 100 100 3.6-5.0 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 95 95 100 100 2.0-5.3 4.8=100 HE3 LYS 19 + HB3 LYS 19 OK 93 93 100 100 3.2-5.4 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 93 93 100 100 3.3-5.4 5.1=100 HE3 LYS 26 + HB3 LYS 26 OK 92 92 100 100 3.7-4.6 4.8=100 HE3 LYS 36 + HB2 LYS 36 OK 72 72 100 100 2.8-4.2 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 72 72 100 100 3.5-4.5 4.9=100 HE2 LYS 26 - HB3 LYS 31 far 14 95 15 - 6.3-12.4 HE3 LYS 26 - HB3 LYS 31 far 14 91 15 - 6.0-13.3 HE2 LYS 26 - HB2 LYS 36 far 7 73 10 - 5.4-11.8 HE3 LYS 31 - HB3 LYS 26 far 5 99 5 - 6.5-14.0 HE3 LYS 24 - HB3 LYS 19 far 5 97 5 - 5.6-14.9 HE3 LYS 31 - HB3 LYS 19 far 5 95 5 - 4.9-25.2 HE2 LYS 31 - HB3 LYS 26 far 5 96 5 - 6.8-14.2 HE2 LYS 24 - HB3 LYS 19 far 5 95 5 - 6.7-14.4 HE3 LYS 86 - HB3 LYS 19 far 5 94 5 - 6.9-34.7 HE2 LYS 31 - HB3 LYS 19 far 5 90 5 - 5.6-25.7 HE3 LYS 26 - HB3 LYS 19 far 4 86 5 - 7.3-19.5 HE3 LYS 26 - HB2 LYS 36 far 3 69 5 - 7.1-12.9 HE3 LYS 26 - HB3 LYS 24 far 0 92 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 73 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 90 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 97 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 97 0 - 8.2-25.8 HE2 LYS 26 - HB3 LYS 24 far 0 96 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 79 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 98 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 94 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 98 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 99 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 94 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 513 from aliabs.peaks (4.33, 1.38, 24.61 ppm; 3.48 A increased from 3.27 A): 1 out of 9 assignments used, quality = 1.00: * HA LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.8-3.5 483=95, 482/2.9=67...(33) HA LYS 24 - HG3 LYS 26 far 0 98 0 - 6.9-8.6 HA PRO 81 - HG2 LYS 19 far 0 97 0 - 7.2-35.4 HA2 GLY 75 - HG3 LYS 26 far 0 97 0 - 7.2-14.4 HA TYR 76 - HG2 LYS 36 far 0 50 0 - 7.6-8.7 HA LYS 24 - HG3 LYS 31 far 0 93 0 - 7.6-20.0 HA2 GLY 75 - HG2 LYS 36 far 0 73 0 - 8.5-10.2 HA2 GLY 75 - HG2 LYS 19 far 0 96 0 - 8.8-29.4 HA LYS 24 - HG2 LYS 19 far 0 97 0 - 8.9-13.3 Violated in 2 structures by 0.00 A. Peak 514 from aliabs.peaks (1.74, 1.38, 24.61 ppm; 3.67 A): 4 out of 21 assignments used, quality = 1.00: * HB2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.5-3.0 3.0=100 HB2 LYS 19 + HG2 LYS 19 OK 97 97 100 100 2.9-2.9 3.0=100 HB2 LYS 31 + HG3 LYS 31 OK 93 93 100 100 2.3-3.0 3.0=100 HB2 LYS 31 - HG3 LYS 26 far 10 98 10 - 4.0-11.8 HB2 ARG 23 - HG3 LYS 31 far 5 90 5 - 3.4-19.1 HB2 ARG 23 - HG2 LYS 24 far 0 99 0 - 4.9-6.7 HB2 LYS 26 - HG3 LYS 31 far 0 93 0 - 5.1-12.9 HB2 ARG 23 - HG2 LYS 19 far 0 94 0 - 5.8-10.2 HB2 LYS 19 - HG3 LYS 31 far 0 93 0 - 6.0-26.3 HB2 LYS 24 - HG2 LYS 19 far 0 97 0 - 6.4-14.3 HG3 ARG 90 - HG2 LYS 19 far 0 95 0 - 6.6-35.6 HB2 LYS 31 - HG2 LYS 24 far 0 100 0 - 6.6-18.9 HB2 LYS 19 - HG2 LYS 24 far 0 100 0 - 6.7-13.0 HB2 ARG 23 - HG3 LYS 26 far 0 95 0 - 6.8-11.8 HB2 LYS 24 - HG3 LYS 26 far 0 98 0 - 7.1-8.9 HB2 LYS 31 - HG2 LYS 19 far 0 97 0 - 7.6-22.5 HB2 LYS 24 - HG3 LYS 31 far 0 93 0 - 7.7-20.6 HB2 LYS 26 - HG2 LYS 24 far 0 100 0 - 9.2-11.0 HB2 LYS 19 - HG3 LYS 26 far 0 98 0 - 9.3-19.3 HB ILE 80 - HG2 LYS 19 far 0 93 0 - 9.7-35.2 Violated in 0 structures by 0.00 A. Peak 515 from aliabs.peaks (1.81, 1.38, 24.61 ppm; 3.41 A): 5 out of 30 assignments used, quality = 1.00: * HB3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.5-3.0 3.0=100 HB3 LYS 19 + HG2 LYS 19 OK 95 95 100 100 2.7-2.8 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 2.7-2.9 3.0=100 HB3 LYS 19 - HG3 LYS 31 far 0 91 0 - 4.5-24.5 HB3 ARG 23 - HG2 LYS 24 far 0 100 0 - 4.5-6.6 HB3 ARG 23 - HG3 LYS 31 far 0 93 0 - 5.0-20.1 HB3 LYS 26 - HG3 LYS 31 far 0 93 0 - 5.1-11.5 HB3 LYS 31 - HG3 LYS 26 far 0 98 0 - 5.2-13.1 HB3 ARG 23 - HG3 LYS 26 far 0 97 0 - 5.2-11.9 HB ILE 32 - HG3 LYS 26 far 0 97 0 - 5.4-7.7 HB3 LYS 19 - HG2 LYS 24 far 0 99 0 - 5.9-12.2 HB ILE 32 - HG3 LYS 31 far 0 93 0 - 6.3-8.2 HB3 LYS 31 - HG2 LYS 19 far 0 97 0 - 6.7-24.1 HB3 ARG 23 - HG2 LYS 19 far 0 96 0 - 7.0-10.5 HB2 LYS 36 - HG3 LYS 31 far 0 93 0 - 7.5-12.4 HB3 LYS 24 - HG3 LYS 26 far 0 98 0 - 7.5-8.6 HB ILE 32 - HG2 LYS 36 far 0 73 0 - 7.6-8.8 HB3 LYS 31 - HG2 LYS 24 far 0 100 0 - 7.8-20.3 HB3 LYS 19 - HG3 LYS 26 far 0 96 0 - 7.9-18.0 HB3 LYS 24 - HG2 LYS 19 far 0 97 0 - 8.1-14.8 HB2 LYS 36 - HG3 LYS 26 far 0 97 0 - 8.6-13.7 HB2 LYS 86 - HG2 LYS 19 far 0 77 0 - 8.6-36.4 HB2 CYS 79 - HG2 LYS 36 far 0 61 0 - 8.7-10.3 HB3 LYS 24 - HG3 LYS 31 far 0 93 0 - 8.9-20.1 HB2 CYS 79 - HG2 LYS 19 far 0 84 0 - 9.5-31.5 HB2 CYS 79 - HG3 LYS 26 far 0 86 0 - 9.7-15.8 HB2 CYS 79 - HG2 LYS 24 far 0 90 0 - 9.7-23.7 HB VAL 93 - HG2 LYS 19 far 0 88 0 - 9.8-38.5 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 21 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 HG2 LYS 26 - HG3 LYS 31 far 0 78 0 - 4.7-13.7 HG13 ILE 32 - HG3 LYS 26 far 0 80 0 - 4.7-7.3 HG3 LYS 19 - HG3 LYS 31 far 0 89 0 - 5.7-24.8 HG2 LYS 31 - HG3 LYS 26 far 0 94 0 - 5.9-14.2 HG2 LYS 31 - HG2 LYS 19 far 0 93 0 - 6.2-23.2 HG13 ILE 32 - HG3 LYS 31 far 0 75 0 - 6.4-7.6 HG2 LYS 31 - HG2 LYS 24 far 0 98 0 - 7.5-21.3 HG3 LYS 24 - HG2 LYS 19 far 0 97 0 - 7.6-13.9 HG3 LYS 24 - HG3 LYS 31 far 0 93 0 - 7.7-21.4 HG3 LYS 19 - HG2 LYS 24 far 0 97 0 - 8.0-13.2 HG3 LYS 19 - HG3 LYS 26 far 0 94 0 - 8.4-18.3 HG3 LYS 36 - HG3 LYS 31 far 0 87 0 - 8.7-13.1 HG3 LYS 86 - HG2 LYS 19 far 0 57 0 - 8.9-35.4 HG2 LYS 26 - HG2 LYS 24 far 0 89 0 - 9.0-11.7 HG3 LYS 24 - HG3 LYS 26 far 0 98 0 - 9.1-10.6 HG13 ILE 32 - HG2 LYS 36 far 0 56 0 - 9.9-10.8 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 37 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 2.4-3.0 3.0=100 HD3 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.6-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.3-3.0 2.9=100 HD3 LYS 31 + HG3 LYS 31 OK 93 93 100 100 2.2-3.0 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 2.2-2.7 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 89 89 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 74 74 100 100 2.2-2.3 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 74 74 100 100 2.7-2.9 3.0=100 HD3 LYS 31 - HG2 LYS 19 far 5 96 5 - 3.6-23.8 HD3 LYS 26 - HG3 LYS 31 far 0 93 0 - 4.1-12.0 HD2 LYS 31 - HG2 LYS 19 far 0 95 0 - 4.9-23.9 HD2 LYS 26 - HG3 LYS 31 far 0 93 0 - 5.4-12.2 HD2 LYS 36 - HG3 LYS 31 far 0 93 0 - 6.6-10.5 HD3 LYS 31 - HG3 LYS 26 far 0 97 0 - 6.8-14.4 HD2 LYS 31 - HG3 LYS 26 far 0 96 0 - 6.9-14.3 HD2 LYS 19 - HG3 LYS 31 far 0 87 0 - 7.5-27.4 HD3 LYS 24 - HG2 LYS 19 far 0 94 0 - 7.5-14.7 HD3 LYS 19 - HG3 LYS 31 far 0 85 0 - 7.7-26.9 HD2 LYS 86 - HG2 LYS 19 far 0 96 0 - 7.8-33.2 HD3 LYS 36 - HG3 LYS 31 far 0 93 0 - 7.9-11.7 HD3 LYS 86 - HG2 LYS 19 far 0 94 0 - 8.2-34.2 HD2 LYS 24 - HG2 LYS 19 far 0 97 0 - 8.4-14.5 HD2 LYS 19 - HG2 LYS 24 far 0 97 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 74 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 74 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 95 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 100 0 - 9.0-21.0 HD2 LYS 36 - HG3 LYS 26 far 0 98 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 100 0 - 9.3-12.6 HD2 LYS 24 - HG3 LYS 31 far 0 93 0 - 9.3-22.5 HD2 LYS 31 - HG2 LYS 24 far 0 99 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 95 0 - 9.5-14.5 HD3 LYS 24 - HG3 LYS 31 far 0 90 0 - 9.8-21.7 HD3 LYS 26 - HG2 LYS 19 far 0 97 0 - 9.8-19.7 HD2 LYS 24 - HG3 LYS 26 far 0 98 0 - 9.8-11.8 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 37 assignments used, quality = 1.00: * HD3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.4-3.0 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 2.2-2.7 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 96 96 100 100 2.3-3.0 2.9=100 HD3 LYS 19 + HG2 LYS 19 OK 96 96 100 100 2.3-3.0 3.0=100 HD3 LYS 26 + HG3 LYS 26 OK 94 94 100 100 2.6-3.0 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 2.2-3.0 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 70 70 100 100 2.2-2.3 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 69 69 100 100 2.7-2.9 3.0=100 HD3 LYS 31 - HG2 LYS 19 far 5 96 5 - 3.6-23.8 HD3 LYS 26 - HG3 LYS 31 far 0 90 0 - 4.1-12.0 HD2 LYS 31 - HG2 LYS 19 far 0 97 0 - 4.9-23.9 HD2 LYS 26 - HG3 LYS 31 far 0 92 0 - 5.4-12.2 HD2 LYS 36 - HG3 LYS 31 far 0 90 0 - 6.6-10.5 HD3 LYS 31 - HG3 LYS 26 far 0 97 0 - 6.8-14.4 HD2 LYS 31 - HG3 LYS 26 far 0 98 0 - 6.9-14.3 HD2 LYS 19 - HG3 LYS 31 far 0 93 0 - 7.5-27.4 HD3 LYS 24 - HG2 LYS 19 far 0 97 0 - 7.5-14.7 HD3 LYS 19 - HG3 LYS 31 far 0 92 0 - 7.7-26.9 HD2 LYS 86 - HG2 LYS 19 far 0 96 0 - 7.8-33.2 HD3 LYS 36 - HG3 LYS 31 far 0 90 0 - 7.9-11.7 HD3 LYS 86 - HG2 LYS 19 far 0 97 0 - 8.2-34.2 HD2 LYS 24 - HG2 LYS 19 far 0 94 0 - 8.4-14.5 HD2 LYS 19 - HG2 LYS 24 far 0 100 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 69 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 72 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 98 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 100 0 - 9.0-21.0 HD2 LYS 36 - HG3 LYS 26 far 0 94 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 98 0 - 9.3-12.6 HD2 LYS 24 - HG3 LYS 31 far 0 90 0 - 9.3-22.5 HD2 LYS 31 - HG2 LYS 24 far 0 100 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 100 0 - 9.5-14.5 HD3 LYS 24 - HG3 LYS 31 far 0 93 0 - 9.8-21.7 HD3 LYS 26 - HG2 LYS 19 far 0 93 0 - 9.8-19.7 HD2 LYS 24 - HG3 LYS 26 far 0 95 0 - 9.8-11.8 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 41 assignments used, quality = 1.00: * HE2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.1-4.1 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.0-4.2 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 96 96 100 100 2.1-4.1 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 96 96 100 100 2.8-3.7 3.8=100 HE2 LYS 26 + HG3 LYS 26 OK 96 96 100 100 2.3-3.8 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 94 94 100 100 2.0-3.4 3.6=100 HE3 LYS 31 + HG3 LYS 31 OK 93 93 100 100 2.0-4.0 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 92 92 100 100 2.1-4.2 3.7=100 HE3 LYS 36 + HG2 LYS 36 OK 71 71 100 100 3.1-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 71 71 100 100 3.1-4.1 4.0=100 HE3 LYS 31 - HG2 LYS 19 far 5 97 5 - 4.6-26.0 HE2 LYS 26 - HG3 LYS 31 far 0 92 0 - 6.1-13.8 HE2 LYS 31 - HG2 LYS 19 far 0 95 0 - 6.1-26.2 HE3 LYS 26 - HG3 LYS 31 far 0 90 0 - 6.1-14.7 HE3 LYS 36 - HG3 LYS 31 far 0 91 0 - 6.3-11.5 HE3 LYS 24 - HG2 LYS 19 far 0 95 0 - 6.5-14.6 HE2 LYS 36 - HG3 LYS 31 far 0 91 0 - 6.5-12.0 HE3 LYS 86 - HG2 LYS 19 far 0 97 0 - 6.8-34.9 HE2 LYS 26 - HG2 LYS 36 far 0 72 0 - 7.3-12.6 HE3 LYS 19 - HG3 LYS 31 far 0 93 0 - 7.7-28.1 HE2 LYS 24 - HG2 LYS 19 far 0 97 0 - 8.0-15.1 HE2 LYS 24 - HG3 LYS 31 far 0 93 0 - 8.1-23.8 HE2 LYS 31 - HG3 LYS 26 far 0 96 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 98 0 - 8.6-15.9 HE2 LYS 19 - HG3 LYS 31 far 0 93 0 - 8.6-26.5 HE3 LYS 26 - HG2 LYS 24 far 0 98 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 19 far 0 93 0 - 8.8-19.2 HE3 LYS 26 - HG2 LYS 36 far 0 69 0 - 8.9-13.8 HE2 LYS 26 - HG2 LYS 19 far 0 95 0 - 9.0-20.5 HE2 LYS 19 - HG3 LYS 26 far 0 97 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 100 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 58 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 72 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 99 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 100 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 97 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 96 0 - 9.8-15.3 HE3 LYS 24 - HG3 LYS 31 far 0 92 0 - 9.8-23.3 HE2 LYS 26 - HG2 LYS 24 far 0 99 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 98 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 100 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 521 from aliabs.peaks (2.94, 1.38, 24.61 ppm; 5.47 A): 10 out of 41 assignments used, quality = 1.00: * HE3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.0-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.1-4.1 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 93 93 100 100 2.1-4.1 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 93 93 100 100 2.8-3.7 3.8=100 HE3 LYS 31 + HG3 LYS 31 OK 92 92 100 100 2.0-4.0 3.7=100 HE2 LYS 26 + HG3 LYS 26 OK 91 91 100 100 2.3-3.8 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 87 87 100 100 2.0-3.4 3.6=100 HE2 LYS 31 + HG3 LYS 31 OK 86 86 100 100 2.1-4.2 3.7=100 HE3 LYS 36 + HG2 LYS 36 OK 65 65 100 100 3.1-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 65 65 100 100 3.1-4.1 4.0=100 HE3 LYS 31 - HG2 LYS 19 far 5 95 5 - 4.6-26.0 HE2 LYS 31 - HG2 LYS 19 far 5 90 5 - 6.1-26.2 HE2 LYS 26 - HG3 LYS 31 far 4 86 5 - 6.1-13.8 HE3 LYS 26 - HG3 LYS 31 far 0 82 0 - 6.1-14.7 HE3 LYS 36 - HG3 LYS 31 far 0 85 0 - 6.3-11.5 HE3 LYS 24 - HG2 LYS 19 far 0 97 0 - 6.5-14.6 HE2 LYS 36 - HG3 LYS 31 far 0 85 0 - 6.5-12.0 HE3 LYS 86 - HG2 LYS 19 far 0 94 0 - 6.8-34.9 HE2 LYS 26 - HG2 LYS 36 far 0 66 0 - 7.3-12.6 HE3 LYS 19 - HG3 LYS 31 far 0 90 0 - 7.7-28.1 HE2 LYS 24 - HG2 LYS 19 far 0 95 0 - 8.0-15.1 HE2 LYS 24 - HG3 LYS 31 far 0 92 0 - 8.1-23.8 HE2 LYS 31 - HG3 LYS 26 far 0 91 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 96 0 - 8.6-15.9 HE2 LYS 19 - HG3 LYS 31 far 0 90 0 - 8.6-26.5 HE3 LYS 26 - HG2 LYS 24 far 0 92 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 19 far 0 86 0 - 8.8-19.2 HE3 LYS 26 - HG2 LYS 36 far 0 62 0 - 8.9-13.8 HE2 LYS 26 - HG2 LYS 19 far 0 90 0 - 9.0-20.5 HE2 LYS 19 - HG3 LYS 26 far 0 94 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 98 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 66 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 66 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 96 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 98 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 94 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 90 0 - 9.8-15.3 HE3 LYS 24 - HG3 LYS 31 far 0 93 0 - 9.8-23.3 HE2 LYS 26 - HG2 LYS 24 far 0 96 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 96 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 99 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 524 from aliabs.peaks (4.33, 1.45, 24.61 ppm; 3.94 A increased from 3.50 A): 1 out of 10 assignments used, quality = 1.00: * HA LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.5-3.8 484=100, 513/1.8=86...(33) HA PRO 81 - HG3 LYS 19 far 0 90 0 - 5.5-35.9 HA2 GLY 75 - HG2 LYS 26 far 0 67 0 - 6.8-14.1 HA2 GLY 75 - HG3 LYS 19 far 0 89 0 - 7.4-30.2 HA LYS 24 - HG2 LYS 31 far 0 93 0 - 7.4-21.3 HA LYS 24 - HG2 LYS 26 far 0 68 0 - 7.5-10.3 HA LYS 24 - HG3 LYS 19 far 0 90 0 - 8.9-14.1 HA TYR 76 - HG3 LYS 36 far 0 41 0 - 9.4-10.5 HA PRO 81 - HG3 LYS 24 far 0 100 0 - 9.6-29.0 HA TYR 76 - HG3 LYS 19 far 0 65 0 - 9.9-32.6 Violated in 0 structures by 0.00 A. Peak 525 from aliabs.peaks (1.74, 1.45, 24.61 ppm; 3.95 A): 4 out of 21 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 2.2-2.9 3.0=100 HB2 LYS 19 + HG3 LYS 19 OK 90 90 100 100 2.7-2.8 3.0=100 HB2 LYS 26 + HG2 LYS 26 OK 68 68 100 100 2.2-3.0 3.0=100 HB2 LYS 31 - HG2 LYS 26 poor 14 68 20 - 2.4-11.6 HB2 LYS 26 - HG2 LYS 31 far 5 93 5 - 4.5-14.0 HB2 ARG 23 - HG2 LYS 31 far 5 90 5 - 3.0-20.5 HB2 ARG 23 - HG3 LYS 24 far 0 99 0 - 4.8-8.2 HG3 ARG 90 - HG3 LYS 19 far 0 88 0 - 5.3-36.6 HB2 ARG 23 - HG3 LYS 19 far 0 87 0 - 5.8-11.0 HB2 ARG 23 - HG2 LYS 26 far 0 65 0 - 6.1-13.4 HB2 LYS 19 - HG3 LYS 24 far 0 100 0 - 6.1-14.5 HB2 LYS 24 - HG3 LYS 19 far 0 90 0 - 6.3-15.3 HB2 LYS 31 - HG3 LYS 19 far 0 90 0 - 6.6-22.5 HB2 LYS 19 - HG2 LYS 31 far 0 93 0 - 7.2-24.6 HB2 LYS 24 - HG2 LYS 26 far 0 68 0 - 7.3-9.8 HB2 LYS 31 - HG3 LYS 24 far 0 100 0 - 7.4-19.6 HB2 LYS 24 - HG2 LYS 31 far 0 93 0 - 8.1-20.1 HB ILE 80 - HG3 LYS 19 far 0 86 0 - 8.2-35.9 HB2 LYS 26 - HG3 LYS 19 far 0 90 0 - 9.5-17.7 HB2 LYS 26 - HG3 LYS 24 far 0 100 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 526 from aliabs.peaks (1.81, 1.45, 24.61 ppm; 3.58 A): 5 out of 30 assignments used, quality = 1.00: * HB3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.4-2.7 2.9=100 HB3 LYS 31 + HG2 LYS 31 OK 93 93 100 100 2.3-3.0 3.0=100 HB3 LYS 19 + HG3 LYS 19 OK 88 88 100 100 2.2-2.2 3.0=100 HB3 LYS 26 + HG2 LYS 26 OK 68 68 100 100 2.3-3.0 3.0=100 HB2 LYS 36 + HG3 LYS 36 OK 61 61 100 100 2.2-2.9 3.0=100 HB3 LYS 31 - HG2 LYS 26 far 7 68 10 - 3.5-12.8 HB3 ARG 23 - HG3 LYS 24 far 0 100 0 - 4.3-7.9 HB3 ARG 23 - HG2 LYS 31 far 0 93 0 - 4.5-21.6 HB3 ARG 23 - HG2 LYS 26 far 0 67 0 - 4.5-13.3 HB ILE 32 - HG2 LYS 26 far 0 67 0 - 5.1-7.5 HB3 LYS 26 - HG2 LYS 31 far 0 93 0 - 5.1-12.2 HB3 LYS 19 - HG2 LYS 31 far 0 91 0 - 5.6-22.9 HB3 LYS 19 - HG3 LYS 24 far 0 99 0 - 5.6-13.8 HB3 LYS 31 - HG3 LYS 19 far 0 90 0 - 6.3-24.1 HB ILE 32 - HG2 LYS 31 far 0 93 0 - 6.8-8.1 HB3 ARG 23 - HG3 LYS 19 far 0 89 0 - 7.1-11.4 HB ILE 32 - HG3 LYS 36 far 0 61 0 - 7.4-8.7 HB3 LYS 24 - HG2 LYS 26 far 0 68 0 - 7.5-10.2 HB2 LYS 86 - HG3 LYS 19 far 0 69 0 - 7.6-37.3 HB3 LYS 24 - HG3 LYS 19 far 0 90 0 - 7.9-15.5 HB2 CYS 79 - HG3 LYS 24 far 0 90 0 - 8.1-24.5 HB2 LYS 36 - HG2 LYS 26 far 0 67 0 - 8.3-12.6 HB2 CYS 79 - HG3 LYS 19 far 0 77 0 - 8.4-32.1 HB VAL 93 - HG3 LYS 19 far 0 80 0 - 8.6-39.5 HB3 LYS 31 - HG3 LYS 24 far 0 100 0 - 8.8-21.0 HB2 LYS 36 - HG2 LYS 31 far 0 93 0 - 9.0-11.1 HB3 LYS 24 - HG2 LYS 31 far 0 93 0 - 9.1-21.2 HB2 CYS 79 - HG2 LYS 26 far 0 55 0 - 9.3-16.4 HB3 LYS 19 - HG2 LYS 26 far 0 65 0 - 9.5-18.7 HB3 LYS 26 - HG3 LYS 19 far 0 90 0 - 9.9-18.0 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 35 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 29 - HG2 LYS 26 far 3 68 5 - 3.0-8.2 QB ALA 15 - HG3 LYS 19 far 0 89 0 - 3.8-11.7 QB ALA 12 - HG2 LYS 31 far 0 78 0 - 4.3-31.0 HG3 LYS 31 - HG2 LYS 26 far 0 64 0 - 4.7-13.7 QB ALA 16 - HG3 LYS 19 far 0 78 0 - 4.9-8.8 QB ALA 28 - HG2 LYS 26 far 0 65 0 - 5.0-8.7 HG3 LYS 31 - HG3 LYS 19 far 0 86 0 - 5.7-24.8 QB ALA 21 - HG3 LYS 24 far 0 57 0 - 5.7-9.4 HG3 LYS 26 - HG2 LYS 31 far 0 92 0 - 5.9-14.2 QB ALA 21 - HG3 LYS 19 far 0 46 0 - 6.0-6.9 QB ALA 16 - HG2 LYS 31 far 0 82 0 - 6.1-23.6 HG2 LYS 19 - HG2 LYS 31 far 0 92 0 - 6.2-23.2 QB ALA 12 - HG3 LYS 19 far 0 75 0 - 6.3-19.8 QB ALA 28 - HG3 LYS 24 far 0 99 0 - 6.3-14.2 QB ALA 29 - HG3 LYS 36 far 0 62 0 - 6.3-10.1 QB ALA 21 - HG2 LYS 31 far 0 49 0 - 6.5-20.2 HG2 LYS 24 - HG2 LYS 31 far 0 93 0 - 7.5-21.3 HG2 LYS 19 - HG3 LYS 24 far 0 99 0 - 7.6-13.9 HG3 LYS 31 - HG3 LYS 24 far 0 98 0 - 7.7-21.4 QB ALA 29 - HG2 LYS 31 far 0 93 0 - 7.9-9.1 QB ALA 21 - HG2 LYS 26 far 0 32 0 - 7.9-14.8 HG2 LYS 24 - HG3 LYS 19 far 0 90 0 - 8.0-13.2 QB ALA 28 - HG2 LYS 31 far 0 90 0 - 8.2-9.6 HG3 LYS 26 - HG3 LYS 19 far 0 89 0 - 8.4-18.3 HG3 LYS 31 - HG3 LYS 36 far 0 58 0 - 8.7-13.1 HG2 LYS 24 - HG2 LYS 26 far 0 68 0 - 9.0-11.7 HG3 LYS 26 - HG3 LYS 24 far 0 100 0 - 9.1-10.6 QB ALA 15 - HG2 LYS 26 far 0 66 0 - 9.1-21.9 QB ALA 29 - HG3 LYS 24 far 0 100 0 - 9.9-16.2 HB2 LEU 42 - HG3 LYS 36 far 0 61 0 - 10.0-11.5 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 38 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 2.3-3.0 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 93 93 100 100 2.2-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 92 92 100 100 2.4-3.0 2.9=100 HD2 LYS 19 + HG3 LYS 19 OK 84 84 100 100 2.9-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 81 81 100 100 2.3-2.8 3.0=100 HD3 LYS 26 + HG2 LYS 26 OK 68 68 100 100 2.2-3.0 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 2.7-2.9 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 62 62 100 100 2.8-3.0 3.0=100 HD3 LYS 31 - HG3 LYS 19 far 4 90 5 - 3.5-23.9 HD3 LYS 26 - HG2 LYS 31 far 0 93 0 - 4.0-11.7 HD2 LYS 31 - HG3 LYS 19 far 0 88 0 - 4.2-23.7 HD3 LYS 31 - HG2 LYS 26 far 0 67 0 - 5.1-14.0 HD2 LYS 31 - HG2 LYS 26 far 0 66 0 - 5.2-13.9 HD2 LYS 26 - HG2 LYS 31 far 0 93 0 - 5.7-12.1 HD2 LYS 86 - HG3 LYS 19 far 0 89 0 - 6.6-34.0 HD3 LYS 86 - HG3 LYS 19 far 0 87 0 - 7.2-35.0 HD3 LYS 24 - HG3 LYS 19 far 0 87 0 - 7.6-15.9 HD2 LYS 19 - HG3 LYS 24 far 0 97 0 - 8.0-16.0 HD2 LYS 36 - HG2 LYS 31 far 0 93 0 - 8.0-10.5 HD3 LYS 26 - HG3 LYS 36 far 0 62 0 - 8.3-14.1 HD3 LYS 24 - HG2 LYS 26 far 0 65 0 - 8.3-12.6 HD2 LYS 24 - HG3 LYS 19 far 0 90 0 - 8.4-15.6 HD3 LYS 19 - HG2 LYS 31 far 0 85 0 - 8.5-25.2 HD2 LYS 19 - HG2 LYS 31 far 0 87 0 - 8.5-25.7 HD2 LYS 26 - HG3 LYS 36 far 0 62 0 - 8.6-12.6 HD3 LYS 26 - HG3 LYS 19 far 0 90 0 - 9.0-20.4 HD3 LYS 36 - HG2 LYS 31 far 0 93 0 - 9.2-11.8 HD2 LYS 36 - HG2 LYS 26 far 0 68 0 - 9.2-12.8 HD3 LYS 19 - HG3 LYS 24 far 0 95 0 - 9.2-16.2 HD3 LYS 31 - HG3 LYS 36 far 0 61 0 - 9.4-14.3 HD2 LYS 24 - HG2 LYS 26 far 0 68 0 - 9.4-13.2 HD2 LYS 26 - HG3 LYS 19 far 0 90 0 - 9.5-19.8 HD2 LYS 31 - HG3 LYS 36 far 0 60 0 - 9.5-14.0 HD2 LYS 86 - HG3 LYS 24 far 0 100 0 - 9.7-25.0 HD3 LYS 31 - HG3 LYS 24 far 0 100 0 - 9.8-22.2 HD2 LYS 24 - HG2 LYS 31 far 0 93 0 - 10.0-23.6 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 38 assignments used, quality = 1.00: * HD3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.3-3.0 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 2.4-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 92 92 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HG3 LYS 19 OK 90 90 100 100 2.9-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 89 89 100 100 2.3-2.8 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 2.2-3.0 2.9=100 HD3 LYS 36 + HG3 LYS 36 OK 59 59 100 100 2.7-2.9 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 58 58 100 100 2.8-3.0 3.0=100 HD3 LYS 31 - HG3 LYS 19 far 4 89 5 - 3.5-23.9 HD3 LYS 26 - HG2 LYS 31 far 0 90 0 - 4.0-11.7 HD2 LYS 31 - HG3 LYS 19 far 0 90 0 - 4.2-23.7 HD3 LYS 31 - HG2 LYS 26 far 0 66 0 - 5.1-14.0 HD2 LYS 31 - HG2 LYS 26 far 0 68 0 - 5.2-13.9 HD2 LYS 26 - HG2 LYS 31 far 0 92 0 - 5.7-12.1 HD2 LYS 86 - HG3 LYS 19 far 0 90 0 - 6.6-34.0 HD3 LYS 86 - HG3 LYS 19 far 0 90 0 - 7.2-35.0 HD3 LYS 24 - HG3 LYS 19 far 0 90 0 - 7.6-15.9 HD2 LYS 19 - HG3 LYS 24 far 0 100 0 - 8.0-16.0 HD2 LYS 36 - HG2 LYS 31 far 0 90 0 - 8.0-10.5 HD3 LYS 26 - HG3 LYS 36 far 0 58 0 - 8.3-14.1 HD3 LYS 24 - HG2 LYS 26 far 0 68 0 - 8.3-12.6 HD2 LYS 24 - HG3 LYS 19 far 0 87 0 - 8.4-15.6 HD3 LYS 19 - HG2 LYS 31 far 0 92 0 - 8.5-25.2 HD2 LYS 19 - HG2 LYS 31 far 0 93 0 - 8.5-25.7 HD2 LYS 26 - HG3 LYS 36 far 0 60 0 - 8.6-12.6 HD3 LYS 26 - HG3 LYS 19 far 0 86 0 - 9.0-20.4 HD3 LYS 36 - HG2 LYS 31 far 0 90 0 - 9.2-11.8 HD2 LYS 36 - HG2 LYS 26 far 0 64 0 - 9.2-12.8 HD3 LYS 19 - HG3 LYS 24 far 0 100 0 - 9.2-16.2 HD3 LYS 31 - HG3 LYS 36 far 0 60 0 - 9.4-14.3 HD2 LYS 24 - HG2 LYS 26 far 0 65 0 - 9.4-13.2 HD2 LYS 26 - HG3 LYS 19 far 0 88 0 - 9.5-19.8 HD2 LYS 31 - HG3 LYS 36 far 0 62 0 - 9.5-14.0 HD2 LYS 86 - HG3 LYS 24 far 0 100 0 - 9.7-25.0 HD3 LYS 31 - HG3 LYS 24 far 0 100 0 - 9.8-22.2 HD2 LYS 24 - HG2 LYS 31 far 0 90 0 - 10.0-23.6 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 36 assignments used, quality = 1.00: * HE2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.3-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 99 99 100 100 2.3-3.9 4.0=100 HE3 LYS 31 + HG2 LYS 31 OK 93 93 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG2 LYS 31 OK 92 92 100 100 2.1-4.0 3.7=100 HE2 LYS 19 + HG3 LYS 19 OK 90 90 100 100 2.1-3.9 3.8=100 HE3 LYS 19 + HG3 LYS 19 OK 90 90 100 100 2.2-3.7 3.8=100 HE2 LYS 26 + HG2 LYS 26 OK 66 66 100 100 2.7-4.1 3.6=100 HE3 LYS 26 + HG2 LYS 26 OK 64 64 100 100 2.2-3.8 3.6=100 HE3 LYS 36 + HG3 LYS 36 OK 59 59 100 100 2.0-3.5 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 59 59 100 100 2.0-3.5 4.0=100 HE3 LYS 31 - HG3 LYS 19 far 5 90 5 - 4.4-25.7 HE2 LYS 31 - HG3 LYS 19 far 0 88 0 - 5.6-26.1 HE3 LYS 86 - HG3 LYS 19 far 0 90 0 - 5.8-35.8 HE3 LYS 26 - HG2 LYS 31 far 0 90 0 - 5.9-14.3 HE2 LYS 26 - HG2 LYS 31 far 0 92 0 - 6.5-13.4 HE2 LYS 31 - HG2 LYS 26 far 0 66 0 - 6.6-15.6 HE3 LYS 31 - HG2 LYS 26 far 0 68 0 - 7.0-15.5 HE3 LYS 24 - HG3 LYS 19 far 0 88 0 - 7.0-15.8 HE2 LYS 26 - HG3 LYS 36 far 0 60 0 - 7.1-13.4 HE3 LYS 26 - HG3 LYS 19 far 0 86 0 - 7.3-20.0 HE3 LYS 36 - HG2 LYS 31 far 0 91 0 - 7.4-12.4 HE2 LYS 26 - HG3 LYS 19 far 0 88 0 - 7.6-21.0 HE3 LYS 19 - HG2 LYS 31 far 0 93 0 - 7.7-26.4 HE2 LYS 36 - HG2 LYS 31 far 0 91 0 - 8.0-11.8 HE2 LYS 19 - HG2 LYS 31 far 0 93 0 - 8.4-24.8 HE2 LYS 24 - HG3 LYS 19 far 0 90 0 - 8.4-15.9 HE3 LYS 19 - HG3 LYS 24 far 0 100 0 - 8.6-17.0 HE3 LYS 26 - HG3 LYS 36 far 0 58 0 - 8.8-14.3 HE2 LYS 31 - HG3 LYS 36 far 0 60 0 - 8.9-14.6 HE2 LYS 24 - HG2 LYS 31 far 0 93 0 - 9.0-23.6 HE2 LYS 19 - HG3 LYS 24 far 0 100 0 - 9.3-16.7 HE3 LYS 26 - HG3 LYS 24 far 0 98 0 - 9.3-11.4 HE2 LYS 26 - HG3 LYS 24 far 0 99 0 - 9.7-13.1 HE3 LYS 31 - HG3 LYS 36 far 0 62 0 - 9.7-14.5 HE3 LYS 86 - HG3 LYS 24 far 0 100 0 - 9.8-26.1 HE3 LYS 36 - HG2 LYS 26 far 0 65 0 - 9.8-14.5 Violated in 0 structures by 0.00 A. Peak 532 from aliabs.peaks (2.94, 1.45, 24.61 ppm; 5.85 A): 10 out of 36 assignments used, quality = 1.00: * HE3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.3-3.9 4.0=100 HE2 LYS 24 + HG3 LYS 24 OK 99 99 100 100 2.3-4.0 4.0=100 HE3 LYS 31 + HG2 LYS 31 OK 92 92 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG2 LYS 31 OK 86 86 100 100 2.1-4.0 3.7=100 HE2 LYS 19 + HG3 LYS 19 OK 86 86 100 100 2.1-3.9 3.8=100 HE3 LYS 19 + HG3 LYS 19 OK 86 86 100 100 2.2-3.7 3.8=100 HE2 LYS 26 + HG2 LYS 26 OK 61 61 100 100 2.7-4.1 3.6=100 HE3 LYS 26 + HG2 LYS 26 OK 57 57 100 100 2.2-3.8 3.6=100 HE3 LYS 36 + HG3 LYS 36 OK 54 54 100 100 2.0-3.5 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 54 54 100 100 2.0-3.5 4.0=100 HE3 LYS 26 - HG2 LYS 31 far 8 82 10 - 5.9-14.3 HE3 LYS 31 - HG3 LYS 19 far 4 88 5 - 4.4-25.7 HE3 LYS 86 - HG3 LYS 19 far 4 87 5 - 5.8-35.8 HE2 LYS 31 - HG3 LYS 19 far 4 83 5 - 5.6-26.1 HE2 LYS 26 - HG2 LYS 31 far 0 86 0 - 6.5-13.4 HE2 LYS 31 - HG2 LYS 26 far 0 61 0 - 6.6-15.6 HE3 LYS 31 - HG2 LYS 26 far 0 66 0 - 7.0-15.5 HE3 LYS 24 - HG3 LYS 19 far 0 90 0 - 7.0-15.8 HE2 LYS 26 - HG3 LYS 36 far 0 55 0 - 7.1-13.4 HE3 LYS 26 - HG3 LYS 19 far 0 78 0 - 7.3-20.0 HE3 LYS 36 - HG2 LYS 31 far 0 85 0 - 7.4-12.4 HE2 LYS 26 - HG3 LYS 19 far 0 83 0 - 7.6-21.0 HE3 LYS 19 - HG2 LYS 31 far 0 90 0 - 7.7-26.4 HE2 LYS 36 - HG2 LYS 31 far 0 85 0 - 8.0-11.8 HE2 LYS 19 - HG2 LYS 31 far 0 90 0 - 8.4-24.8 HE2 LYS 24 - HG3 LYS 19 far 0 88 0 - 8.4-15.9 HE3 LYS 19 - HG3 LYS 24 far 0 98 0 - 8.6-17.0 HE3 LYS 26 - HG3 LYS 36 far 0 51 0 - 8.8-14.3 HE2 LYS 31 - HG3 LYS 36 far 0 55 0 - 8.9-14.6 HE2 LYS 24 - HG2 LYS 31 far 0 92 0 - 9.0-23.6 HE2 LYS 19 - HG3 LYS 24 far 0 98 0 - 9.3-16.7 HE3 LYS 26 - HG3 LYS 24 far 0 92 0 - 9.3-11.4 HE2 LYS 26 - HG3 LYS 24 far 0 96 0 - 9.7-13.1 HE3 LYS 31 - HG3 LYS 36 far 0 60 0 - 9.7-14.5 HE3 LYS 86 - HG3 LYS 24 far 0 99 0 - 9.8-26.1 HE3 LYS 36 - HG2 LYS 26 far 0 59 0 - 9.8-14.5 Violated in 0 structures by 0.00 A. Peak 535 from aliabs.peaks (4.33, 1.66, 28.74 ppm; 4.32 A increased from 3.46 A): 2 out of 22 assignments used, quality = 1.00: * HA LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.6-4.8 482/3.5=79, 513/3.0=77...(31) HA LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.0-4.5 482/3.5=79, 513/3.0=77...(31) HA CYS 125 - HD2 LYS 95 far 2 47 5 - 4.6-8.5 HA CYS 125 - HD3 LYS 95 far 0 51 0 - 5.1-8.3 HA2 GLY 75 - HD3 LYS 19 far 0 81 0 - 7.0-31.5 HA PRO 81 - HD3 LYS 19 far 0 82 0 - 7.1-37.7 HA2 GLY 75 - HD2 LYS 36 far 0 100 0 - 7.8-10.0 HA LYS 24 - HD2 LYS 26 far 0 95 0 - 7.9-11.1 HA2 GLY 75 - HD2 LYS 26 far 0 94 0 - 8.0-13.7 HA2 GLY 75 - HD3 LYS 36 far 0 100 0 - 8.0-9.7 HA PRO 81 - HD2 LYS 19 far 0 88 0 - 8.0-37.5 HA2 GLY 75 - HD3 LYS 26 far 0 95 0 - 8.1-12.3 HA TYR 76 - HD3 LYS 36 far 0 78 0 - 8.2-9.1 HA TYR 76 - HD2 LYS 36 far 0 78 0 - 8.4-9.8 HA2 GLY 75 - HD2 LYS 19 far 0 87 0 - 8.7-31.8 HA LYS 24 - HD3 LYS 26 far 0 95 0 - 8.7-11.1 HA2 GLY 75 - HD3 LYS 24 far 0 95 0 - 9.4-20.4 HA LEU 69 - HD3 LYS 36 far 0 85 0 - 9.4-11.2 HA PRO 81 - HD2 LYS 24 far 0 100 0 - 9.5-30.4 HA TYR 76 - HD2 LYS 26 far 0 70 0 - 9.7-14.0 HA LYS 24 - HD3 LYS 31 far 0 95 0 - 9.8-20.6 HA LYS 24 - HD2 LYS 31 far 0 92 0 - 9.9-21.9 Violated in 0 structures by 0.00 A. Peak 536 from aliabs.peaks (1.74, 1.66, 28.74 ppm; 4.74 A): 8 out of 48 assignments used, quality = 1.00: * HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.6-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.6-3.7 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.3-3.9 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.1-4.0 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 2.1-4.2 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 88 88 100 100 2.2-3.2 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 82 82 100 100 2.0-3.5 3.9=100 HB2 LYS 31 - HD3 LYS 26 poor 19 95 20 - 2.1-9.6 HB2 LYS 31 - HD2 LYS 26 poor 19 95 20 - 3.7-10.0 HB2 LYS 19 - HD3 LYS 31 far 5 95 5 - 4.6-25.0 HB2 LYS 19 - HD2 LYS 31 far 5 92 5 - 5.2-25.0 HB2 ARG 23 - HD3 LYS 31 far 5 92 5 - 4.8-19.6 HB2 LYS 26 - HD2 LYS 31 far 0 92 0 - 5.4-13.3 HG3 ARG 90 - HD3 LYS 19 far 0 79 0 - 5.6-37.6 HB2 ARG 23 - HD3 LYS 24 far 0 93 0 - 5.6-9.0 HB2 ARG 23 - HD2 LYS 31 far 0 89 0 - 5.7-20.8 HB2 ARG 23 - HD2 LYS 24 far 0 99 0 - 6.0-9.1 HB2 LYS 26 - HD3 LYS 31 far 0 95 0 - 6.1-13.8 HG3 ARG 90 - HD2 LYS 19 far 0 85 0 - 6.5-37.7 HG13 ILE 129 - HD3 LYS 95 far 0 88 0 - 7.1-11.4 HB2 ARG 23 - HD3 LYS 19 far 0 79 0 - 7.3-12.6 HB2 LYS 24 - HD2 LYS 19 far 0 88 0 - 7.3-16.3 HG13 ILE 129 - HD2 LYS 95 far 0 83 0 - 7.3-11.5 HB2 ARG 23 - HD2 LYS 19 far 0 84 0 - 7.5-11.9 HB2 ARG 23 - HD3 LYS 26 far 0 93 0 - 7.5-14.0 HB ILE 80 - HD3 LYS 19 far 0 78 0 - 7.8-37.4 HB2 ARG 23 - HD2 LYS 26 far 0 92 0 - 7.8-13.1 HB2 LYS 19 - HD3 LYS 24 far 0 96 0 - 7.9-15.5 HB2 LYS 24 - HD3 LYS 26 far 0 95 0 - 7.9-11.0 HB2 LYS 31 - HD3 LYS 19 far 0 82 0 - 8.2-24.6 HB2 LYS 19 - HD2 LYS 24 far 0 100 0 - 8.2-15.2 HB2 LYS 24 - HD3 LYS 19 far 0 82 0 - 8.2-16.3 HB2 LYS 31 - HD2 LYS 36 far 0 100 0 - 8.4-9.8 HB2 LYS 26 - HD3 LYS 24 far 0 96 0 - 8.4-11.9 HG3 ARG 90 - HD3 LYS 95 far 0 85 0 - 8.5-12.5 HB2 LYS 24 - HD2 LYS 26 far 0 95 0 - 8.6-11.1 HB2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.8-21.3 HG3 ARG 90 - HD2 LYS 95 far 0 80 0 - 9.2-11.8 HB ILE 80 - HD2 LYS 19 far 0 84 0 - 9.2-37.4 HB2 LYS 31 - HD2 LYS 19 far 0 88 0 - 9.2-25.0 HB2 LYS 31 - HD3 LYS 24 far 0 96 0 - 9.4-20.4 HB2 ARG 23 - HD2 LYS 36 far 0 99 0 - 9.5-21.1 HB2 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.6-12.5 HB2 LYS 31 - HD3 LYS 36 far 0 100 0 - 9.7-11.4 HG3 ARG 90 - HD3 LYS 24 far 0 93 0 - 9.8-25.6 HB2 LYS 24 - HD3 LYS 31 far 0 95 0 - 9.9-20.2 HB2 LYS 24 - HD2 LYS 31 far 0 92 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 537 from aliabs.peaks (1.81, 1.66, 28.74 ppm; 3.44 A): 10 out of 62 assignments used, quality = 1.00: HB2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 3.0-4.0 3.5=95, 1.8/1031=36...(84) HB2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-3.2 3.5=95, 1.8/1031=36...(73) HB3 LYS 24 + HD3 LYS 24 OK 95 96 100 100 2.1-3.7 3.5=93, 482/5.4=26...(38) HB3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.0-3.3 3.5=95, 6251/5.7=20...(80) HB3 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.0-3.2 3.5=95, 6251/5.7=20...(80) * HB3 LYS 24 + HD2 LYS 24 OK 95 100 95 100 2.5-4.2 3.5=93, 482/5.4=26...(38) HB3 LYS 31 + HD2 LYS 31 OK 91 92 100 100 2.0-3.8 3.5=96, 6332/6.2=18...(71) HB3 LYS 31 + HD3 LYS 31 OK 90 94 95 100 2.1-4.1 3.5=96, 6332/6.2=18...(71) HB3 LYS 19 + HD2 LYS 19 OK 80 85 95 98 3.5-4.1 3.9=67, 6150/6.2=11...(79) HB3 LYS 19 + HD3 LYS 19 OK 51 79 65 98 3.3-4.2 3.9=67, 6150/6.2=11...(78) HB3 LYS 31 - HD3 LYS 26 far 10 95 10 - 3.5-10.7 HB ILE 32 - HD3 LYS 26 far 10 95 10 - 3.4-6.5 HB3 LYS 19 - HD3 LYS 31 far 5 92 5 - 3.0-23.2 HB3 LYS 19 - HD2 LYS 31 far 4 89 5 - 3.4-23.3 HB ILE 32 - HD2 LYS 26 far 0 95 0 - 4.2-5.1 HB3 ARG 23 - HD3 LYS 24 far 0 95 0 - 4.2-8.9 HB3 LYS 31 - HD2 LYS 26 far 0 95 0 - 4.7-11.2 HB3 ARG 23 - HD2 LYS 24 far 0 100 0 - 5.3-8.9 HB VAL 93 - HD3 LYS 95 far 0 77 0 - 5.6-8.6 HB ILE 32 - HD2 LYS 36 far 0 100 0 - 5.9-6.8 HB3 LYS 26 - HD2 LYS 31 far 0 92 0 - 5.9-12.3 HB2 LYS 36 - HD3 LYS 26 far 0 95 0 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 26 far 0 95 0 - 6.3-14.3 HB2 LYS 36 - HD2 LYS 26 far 0 95 0 - 6.3-11.2 HB3 LYS 19 - HD3 LYS 24 far 0 93 0 - 6.4-14.8 HB VAL 93 - HD2 LYS 95 far 0 72 0 - 6.4-8.7 HB ILE 32 - HD3 LYS 31 far 0 94 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 94 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 94 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 91 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 99 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 95 0 - 6.8-12.2 HB3 ARG 23 - HD2 LYS 31 far 0 91 0 - 7.3-22.1 HB ILE 32 - HD3 LYS 36 far 0 100 0 - 7.6-8.5 HB3 LYS 31 - HD3 LYS 19 far 0 82 0 - 8.1-26.2 HB2 LYS 36 - HD3 LYS 31 far 0 94 0 - 8.1-12.5 HB2 CYS 79 - HD3 LYS 19 far 0 69 0 - 8.3-33.8 HB2 LYS 36 - HD2 LYS 31 far 0 91 0 - 8.3-12.3 HB2 LYS 86 - HD3 LYS 19 far 0 61 0 - 8.4-38.5 HB3 LYS 31 - HD2 LYS 19 far 0 88 0 - 8.4-26.6 HB VAL 93 - HD3 LYS 19 far 0 72 0 - 8.4-40.5 HB3 ARG 23 - HD3 LYS 19 far 0 81 0 - 8.5-12.9 HB2 CYS 79 - HD2 LYS 24 far 0 90 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 82 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 95 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 19 far 0 88 0 - 8.8-16.9 HB3 LYS 24 - HD2 LYS 26 far 0 95 0 - 8.8-11.0 HB3 ARG 23 - HD2 LYS 19 far 0 87 0 - 8.9-12.7 HB VAL 93 - HD2 LYS 19 far 0 77 0 - 9.3-40.8 HB3 LYS 31 - HD2 LYS 36 far 0 100 0 - 9.3-10.5 HB2 LYS 86 - HD2 LYS 19 far 0 67 0 - 9.3-38.4 HB3 LYS 26 - HD3 LYS 24 far 0 96 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 93 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 93 0 - 9.5-19.2 HB3 LYS 26 - HD2 LYS 36 far 0 100 0 - 9.7-12.7 HB2 CYS 79 - HD3 LYS 36 far 0 90 0 - 9.8-11.3 HB2 CYS 79 - HD2 LYS 36 far 0 90 0 - 9.8-11.7 HB3 LYS 24 - HD3 LYS 19 far 0 82 0 - 9.8-17.0 HB3 ARG 23 - HD2 LYS 36 far 0 100 0 - 9.9-20.6 HB2 CYS 79 - HD3 LYS 24 far 0 83 0 - 9.9-24.7 HB2 CYS 79 - HD2 LYS 19 far 0 74 0 - 9.9-33.8 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 10.0-22.7 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 88 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 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.7-2.9 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.4-3.0 3.0=100 HG3 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.6-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 94 94 100 100 2.3-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 91 91 100 100 2.2-3.0 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 2.2-2.7 3.0=100 HG3 LYS 95 + HD3 LYS 95 OK 84 84 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 80 80 100 100 2.5-3.0 2.9=100 HG2 LYS 19 + HD3 LYS 19 OK 80 80 100 100 2.3-3.0 3.0=100 HG3 LYS 95 + HD2 LYS 95 OK 78 78 100 100 2.3-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 75 75 100 100 2.3-3.0 2.9=100 QB ALA 29 - HD2 LYS 26 poor 19 95 20 - 2.5-6.4 QB ALA 29 - HD3 LYS 26 far 10 95 10 - 2.3-7.8 QB ALA 16 - HD2 LYS 19 far 8 76 10 - 3.5-7.5 HG2 LYS 19 - HD3 LYS 31 far 5 93 5 - 3.6-23.8 QB ALA 15 - HD2 LYS 19 far 4 87 5 - 3.8-10.9 QB ALA 15 - HD3 LYS 19 far 4 81 5 - 3.7-10.4 HG3 LYS 31 - HD3 LYS 26 far 0 92 0 - 4.1-12.0 QB ALA 16 - HD3 LYS 31 far 0 83 0 - 4.2-24.3 QB ALA 16 - HD3 LYS 19 far 0 70 0 - 4.2-7.8 QB ALA 12 - HD2 LYS 31 far 0 77 0 - 4.5-32.1 QB ALA 16 - HD2 LYS 31 far 0 80 0 - 4.6-24.2 QB ALA 28 - HD3 LYS 26 far 0 93 0 - 4.7-8.5 HG2 LYS 19 - HD2 LYS 31 far 0 90 0 - 4.9-23.9 QB ALA 28 - HD2 LYS 26 far 0 92 0 - 4.9-7.9 QB ALA 21 - HD2 LYS 24 far 0 57 0 - 5.1-9.6 QB ALA 12 - HD3 LYS 31 far 0 80 0 - 5.2-32.1 HG3 LYS 31 - HD2 LYS 26 far 0 91 0 - 5.4-12.2 QB ALA 21 - HD3 LYS 24 far 0 51 0 - 5.5-10.1 QB ALA 12 - HD3 LYS 95 far 0 72 0 - 5.5-31.9 QB ALA 12 - HD2 LYS 95 far 0 67 0 - 5.6-32.8 QB ALA 21 - HD2 LYS 19 far 0 44 0 - 5.6-6.4 QB ALA 21 - HD3 LYS 31 far 0 50 0 - 5.8-21.0 QB ALA 29 - HD2 LYS 36 far 0 100 0 - 6.1-9.0 QB ALA 21 - HD3 LYS 19 far 0 40 0 - 6.2-7.5 HG3 LYS 31 - HD2 LYS 36 far 0 98 0 - 6.6-10.5 HB2 LEU 96 - HD2 LYS 95 far 0 82 0 - 6.7-9.2 HG3 LYS 26 - HD3 LYS 31 far 0 94 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 91 0 - 6.9-14.3 QB ALA 21 - HD2 LYS 31 far 0 47 0 - 7.1-20.7 HB2 LEU 96 - HD3 LYS 95 far 0 87 0 - 7.1-8.9 QB ALA 12 - HD3 LYS 19 far 0 67 0 - 7.4-17.7 HG LEU 96 - HD3 LYS 95 far 0 65 0 - 7.4-9.8 QB ALA 29 - HD3 LYS 36 far 0 100 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 92 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 94 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 84 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 94 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 78 0 - 7.7-26.9 QB ALA 15 - HD3 LYS 95 far 0 87 0 - 7.8-38.1 QB ALA 28 - HD3 LYS 31 far 0 92 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 93 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 98 0 - 7.9-11.7 HG LEU 96 - HD2 LYS 95 far 0 60 0 - 8.0-10.0 QB ALA 15 - HD2 LYS 95 far 0 81 0 - 8.0-39.2 QB ALA 28 - HD2 LYS 24 far 0 99 0 - 8.1-15.1 QB ALA 21 - HD3 LYS 26 far 0 51 0 - 8.2-15.0 QB ALA 21 - HD2 LYS 26 far 0 50 0 - 8.2-15.3 QB ALA 28 - HD2 LYS 31 far 0 89 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 72 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 99 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 88 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 95 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 94 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 89 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 94 0 - 8.6-22.7 QB ALA 16 - HD2 LYS 24 far 0 92 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 95 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 95 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 100 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 100 0 - 9.1-12.8 QB ALA 12 - HD3 LYS 36 far 0 89 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 95 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 94 0 - 9.2-24.7 HG2 LYS 24 - HD3 LYS 26 far 0 95 0 - 9.3-12.6 HG3 LYS 31 - HD2 LYS 24 far 0 98 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 92 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 82 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 94 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 100 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 92 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 94 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 91 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 84 0 - 9.9-17.6 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 45 assignments used, quality = 1.00: * HG3 LYS 24 + HD2 LYS 24 OK 92 100 100 92 2.2-3.0 3.0=86, 484/5.4=14...(16) HG3 LYS 36 + HD2 LYS 36 OK 91 96 100 94 2.8-3.0 3.0=85, 3.0/1031=18...(21) HG3 LYS 36 + HD3 LYS 36 OK 91 97 100 94 2.7-2.9 3.0=85, 3.0/1031=18...(21) HG3 LYS 24 + HD3 LYS 24 OK 88 96 100 92 2.3-3.0 3.0=86, 484/5.4=14...(16) HG2 LYS 31 + HD3 LYS 31 OK 83 91 100 92 2.2-3.0 2.9=89, 822/5.2=6...(13) HG2 LYS 31 + HD2 LYS 31 OK 81 88 100 92 2.4-3.0 2.9=89, 822/5.2=6...(13) HG2 LYS 26 + HD3 LYS 26 OK 77 81 100 96 2.2-3.0 2.9=94, 6252/5.7=11...(13) HG2 LYS 26 + HD2 LYS 26 OK 77 80 100 96 2.2-3.0 2.9=94, 6252/5.7=11...(13) HG3 LYS 19 + HD2 LYS 19 OK 76 83 100 92 2.9-3.0 3.0=87, 6152/6.2=7...(22) HG3 LYS 19 + HD3 LYS 19 OK 71 77 100 92 2.3-2.8 3.0=87, 6152/6.2=7...(22) HG13 ILE 32 - HD2 LYS 26 far 11 77 15 - 2.3-5.4 QB ALA 92 - HD2 LYS 95 far 3 65 5 - 3.1-6.5 HG13 ILE 32 - HD3 LYS 26 far 0 77 0 - 3.4-5.5 HG3 LYS 19 - HD3 LYS 31 far 0 90 0 - 3.5-23.9 HG2 LYS 31 - HD3 LYS 26 far 0 92 0 - 4.0-11.7 HG3 LYS 19 - HD2 LYS 31 far 0 87 0 - 4.2-23.7 QB ALA 92 - HD3 LYS 95 far 0 71 0 - 4.5-5.9 HG2 LYS 26 - HD3 LYS 31 far 0 80 0 - 5.1-14.0 HG2 LYS 26 - HD2 LYS 31 far 0 77 0 - 5.2-13.9 HG2 LYS 31 - HD2 LYS 26 far 0 91 0 - 5.7-12.1 HG13 ILE 32 - HD2 LYS 31 far 0 73 0 - 6.0-8.4 HG13 ILE 32 - HD3 LYS 31 far 0 76 0 - 6.2-9.0 HG3 LYS 86 - HD3 LYS 19 far 0 45 0 - 6.8-37.6 HG3 LYS 19 - HD3 LYS 24 far 0 91 0 - 7.6-15.9 HG3 LYS 86 - HD2 LYS 19 far 0 49 0 - 8.0-37.5 HG3 LYS 24 - HD2 LYS 19 far 0 88 0 - 8.0-16.0 HG2 LYS 31 - HD2 LYS 36 far 0 98 0 - 8.0-10.5 HG13 ILE 32 - HD2 LYS 36 far 0 85 0 - 8.1-8.6 HG3 LYS 36 - HD3 LYS 26 far 0 90 0 - 8.3-14.1 HG2 LYS 26 - HD3 LYS 24 far 0 81 0 - 8.3-12.6 HG3 LYS 19 - HD2 LYS 24 far 0 97 0 - 8.4-15.6 HG2 LYS 31 - HD3 LYS 19 far 0 78 0 - 8.5-25.2 HG2 LYS 31 - HD2 LYS 19 far 0 84 0 - 8.5-25.7 HG3 LYS 36 - HD2 LYS 26 far 0 89 0 - 8.6-12.6 HG3 LYS 19 - HD3 LYS 26 far 0 91 0 - 9.0-20.4 HG2 LYS 31 - HD3 LYS 36 far 0 98 0 - 9.2-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 89 0 - 9.2-12.8 HG3 LYS 24 - HD3 LYS 19 far 0 82 0 - 9.2-16.2 HG3 LYS 36 - HD3 LYS 31 far 0 89 0 - 9.4-14.3 HG2 LYS 26 - HD2 LYS 24 far 0 89 0 - 9.4-13.2 HG3 LYS 19 - HD2 LYS 26 far 0 90 0 - 9.5-19.8 HG3 LYS 36 - HD2 LYS 31 far 0 86 0 - 9.5-14.0 HG3 LYS 24 - HD3 LYS 31 far 0 95 0 - 9.8-22.2 HG13 ILE 32 - HD3 LYS 36 far 0 85 0 - 9.8-10.3 HG2 LYS 31 - HD2 LYS 24 far 0 98 0 - 10.0-23.6 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 66 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 2.3-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 99 99 100 100 2.5-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 99 99 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 99 99 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 94 94 100 100 2.2-2.9 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 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 82 82 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 82 82 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD2 LYS 31 far 0 91 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 94 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 91 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 94 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 91 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 95 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 88 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 99 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 94 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 82 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 99 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 88 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 80 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 89 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 100 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 89 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 92 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 94 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 99 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 95 0 - 7.7-13.6 HB3 ASN 121 - HD3 LYS 95 far 0 58 0 - 7.9-10.8 HE2 LYS 31 - HD3 LYS 36 far 0 99 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 86 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 90 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 98 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 82 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 93 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 86 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 92 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 100 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 88 0 - 8.6-36.9 HB3 ASN 121 - HD2 LYS 95 far 0 54 0 - 8.7-10.6 HE3 LYS 24 - HD3 LYS 19 far 0 80 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 93 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 98 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 87 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 92 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 93 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 98 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 93 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 88 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 95 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 93 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 78 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 84 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 82 0 - 9.9-17.4 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 64 assignments used, quality = 1.00: * HE3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.5-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.4-3.0 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 2.3-3.0 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 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 88 88 100 100 2.2-2.9 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 2.3-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 84 84 100 100 2.3-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 84 84 100 100 2.2-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD2 LYS 31 far 0 88 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 91 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 88 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 91 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 83 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 94 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 80 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 96 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 89 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 80 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 96 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 86 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 74 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 83 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 99 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 83 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 86 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 88 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 96 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 94 0 - 7.7-13.6 HE2 LYS 31 - HD3 LYS 36 far 0 96 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 80 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 84 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 92 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 79 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 88 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 88 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 86 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 99 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 84 0 - 8.6-36.9 HE3 LYS 24 - HD3 LYS 19 far 0 82 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 87 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 92 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 96 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 84 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 87 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 92 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 87 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 86 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 92 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 87 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 70 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 76 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 80 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 546 from aliabs.peaks (4.33, 1.65, 28.74 ppm; 4.32 A increased from 3.46 A): 2 out of 22 assignments used, quality = 1.00: * HA LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.0-4.5 482/3.5=79, 513/3.0=77...(31) HA LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.6-4.8 482/3.5=79, 513/3.0=77...(31) HA CYS 125 - HD2 LYS 95 far 3 52 5 - 4.6-8.5 HA CYS 125 - HD3 LYS 95 far 0 48 0 - 5.1-8.3 HA2 GLY 75 - HD3 LYS 19 far 0 97 0 - 7.0-31.5 HA PRO 81 - HD3 LYS 19 far 0 98 0 - 7.1-37.7 HA2 GLY 75 - HD2 LYS 36 far 0 93 0 - 7.8-10.0 HA LYS 24 - HD2 LYS 26 far 0 92 0 - 7.9-11.1 HA2 GLY 75 - HD2 LYS 26 far 0 91 0 - 8.0-13.7 HA2 GLY 75 - HD3 LYS 36 far 0 95 0 - 8.0-9.7 HA PRO 81 - HD2 LYS 19 far 0 99 0 - 8.0-37.5 HA2 GLY 75 - HD3 LYS 26 far 0 86 0 - 8.1-12.3 HA TYR 76 - HD3 LYS 36 far 0 71 0 - 8.2-9.1 HA TYR 76 - HD2 LYS 36 far 0 69 0 - 8.4-9.8 HA2 GLY 75 - HD2 LYS 19 far 0 98 0 - 8.7-31.8 HA LYS 24 - HD3 LYS 26 far 0 87 0 - 8.7-11.1 HA2 GLY 75 - HD3 LYS 24 far 0 100 0 - 9.4-20.4 HA LEU 69 - HD3 LYS 36 far 0 77 0 - 9.4-11.2 HA PRO 81 - HD2 LYS 24 far 0 95 0 - 9.5-30.4 HA TYR 76 - HD2 LYS 26 far 0 66 0 - 9.7-14.0 HA LYS 24 - HD3 LYS 31 far 0 93 0 - 9.8-20.6 HA LYS 24 - HD2 LYS 31 far 0 95 0 - 9.9-21.9 Violated in 0 structures by 0.00 A. Peak 547 from aliabs.peaks (1.74, 1.65, 28.74 ppm; 4.74 A): 8 out of 48 assignments used, quality = 1.00: * HB2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.6-3.7 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 99 99 100 100 2.2-3.2 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 98 98 100 100 2.0-3.5 3.9=100 HB2 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.6-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 95 95 100 100 2.1-4.2 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 2.1-4.0 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 87 87 100 100 2.3-3.9 3.5=100 HB2 LYS 31 - HD2 LYS 26 poor 18 92 20 - 3.7-10.0 HB2 LYS 31 - HD3 LYS 26 poor 17 87 20 - 2.1-9.6 HB2 LYS 19 - HD2 LYS 31 far 5 95 5 - 5.2-25.0 HB2 LYS 19 - HD3 LYS 31 far 5 93 5 - 4.6-25.0 HB2 ARG 23 - HD3 LYS 31 far 4 90 5 - 4.8-19.6 HB2 LYS 26 - HD2 LYS 31 far 0 95 0 - 5.4-13.3 HG3 ARG 90 - HD3 LYS 19 far 0 96 0 - 5.6-37.6 HB2 ARG 23 - HD3 LYS 24 far 0 99 0 - 5.6-9.0 HB2 ARG 23 - HD2 LYS 31 far 0 92 0 - 5.7-20.8 HB2 ARG 23 - HD2 LYS 24 far 0 93 0 - 6.0-9.1 HB2 LYS 26 - HD3 LYS 31 far 0 93 0 - 6.1-13.8 HG3 ARG 90 - HD2 LYS 19 far 0 97 0 - 6.5-37.7 HG13 ILE 129 - HD3 LYS 95 far 0 84 0 - 7.1-11.4 HB2 ARG 23 - HD3 LYS 19 far 0 95 0 - 7.3-12.6 HB2 LYS 24 - HD2 LYS 19 far 0 99 0 - 7.3-16.3 HG13 ILE 129 - HD2 LYS 95 far 0 88 0 - 7.3-11.5 HB2 ARG 23 - HD2 LYS 19 far 0 97 0 - 7.5-11.9 HB2 ARG 23 - HD3 LYS 26 far 0 83 0 - 7.5-14.0 HB ILE 80 - HD3 LYS 19 far 0 94 0 - 7.8-37.4 HB2 ARG 23 - HD2 LYS 26 far 0 89 0 - 7.8-13.1 HB2 LYS 19 - HD3 LYS 24 far 0 100 0 - 7.9-15.5 HB2 LYS 24 - HD3 LYS 26 far 0 87 0 - 7.9-11.0 HB2 LYS 31 - HD3 LYS 19 far 0 98 0 - 8.2-24.6 HB2 LYS 19 - HD2 LYS 24 far 0 96 0 - 8.2-15.2 HB2 LYS 24 - HD3 LYS 19 far 0 98 0 - 8.2-16.3 HB2 LYS 31 - HD2 LYS 36 far 0 94 0 - 8.4-9.8 HB2 LYS 26 - HD3 LYS 24 far 0 100 0 - 8.4-11.9 HG3 ARG 90 - HD3 LYS 95 far 0 81 0 - 8.5-12.5 HB2 LYS 24 - HD2 LYS 26 far 0 92 0 - 8.6-11.1 HB2 LYS 31 - HD2 LYS 24 far 0 96 0 - 8.8-21.3 HG3 ARG 90 - HD2 LYS 95 far 0 86 0 - 9.2-11.8 HB ILE 80 - HD2 LYS 19 far 0 96 0 - 9.2-37.4 HB2 LYS 31 - HD2 LYS 19 far 0 99 0 - 9.2-25.0 HB2 LYS 31 - HD3 LYS 24 far 0 100 0 - 9.4-20.4 HB2 ARG 23 - HD2 LYS 36 far 0 91 0 - 9.5-21.1 HB2 LYS 26 - HD2 LYS 24 far 0 96 0 - 9.6-12.5 HB2 LYS 31 - HD3 LYS 36 far 0 96 0 - 9.7-11.4 HG3 ARG 90 - HD3 LYS 24 far 0 99 0 - 9.8-25.6 HB2 LYS 24 - HD3 LYS 31 far 0 93 0 - 9.9-20.2 HB2 LYS 24 - HD2 LYS 31 far 0 95 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 548 from aliabs.peaks (1.81, 1.65, 28.74 ppm; 3.47 A): 10 out of 62 assignments used, quality = 1.00: * HB3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.1-3.7 3.5=95, 482/5.4=26...(38) HB2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 3.0-4.0 3.5=96, 1.8/1031=35...(84) HB3 LYS 31 + HD2 LYS 31 OK 95 95 100 100 2.0-3.8 3.5=98, 6332/6.2=18...(71) HB2 LYS 36 + HD2 LYS 36 OK 93 94 100 100 2.0-3.2 3.5=96, 1.8/1031=34...(73) HB3 LYS 26 + HD2 LYS 26 OK 92 92 100 100 2.0-3.2 3.5=96, 6251/5.7=21...(80) HB3 LYS 19 + HD2 LYS 19 OK 91 97 95 98 3.5-4.1 3.9=68, 6150/6.2=11...(79) HB3 LYS 24 + HD2 LYS 24 OK 91 96 95 100 2.5-4.2 3.5=95, 482/5.4=26...(38) HB3 LYS 31 + HD3 LYS 31 OK 88 93 95 100 2.1-4.1 3.5=98, 6332/6.2=18...(71) HB3 LYS 26 + HD3 LYS 26 OK 86 87 100 100 2.0-3.3 3.5=96, 6251/5.7=21...(80) HB3 LYS 19 + HD3 LYS 19 OK 61 96 65 99 3.3-4.2 3.9=68, 6150/6.2=11...(78) HB3 LYS 31 - HD3 LYS 26 far 9 86 10 - 3.5-10.7 HB ILE 32 - HD3 LYS 26 far 9 86 10 - 3.4-6.5 HB3 LYS 19 - HD2 LYS 31 far 5 93 5 - 3.4-23.3 HB3 LYS 19 - HD3 LYS 31 far 5 91 5 - 3.0-23.2 HB ILE 32 - HD2 LYS 26 far 0 91 0 - 4.2-5.1 HB3 ARG 23 - HD3 LYS 24 far 0 100 0 - 4.2-8.9 HB3 LYS 31 - HD2 LYS 26 far 0 92 0 - 4.7-11.2 HB3 ARG 23 - HD2 LYS 24 far 0 95 0 - 5.3-8.9 HB VAL 93 - HD3 LYS 95 far 0 74 0 - 5.6-8.6 HB ILE 32 - HD2 LYS 36 far 0 94 0 - 5.9-6.8 HB3 LYS 26 - HD2 LYS 31 far 0 95 0 - 5.9-12.3 HB2 LYS 36 - HD3 LYS 26 far 0 86 0 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 26 far 0 86 0 - 6.3-14.3 HB2 LYS 36 - HD2 LYS 26 far 0 91 0 - 6.3-11.2 HB3 LYS 19 - HD3 LYS 24 far 0 99 0 - 6.4-14.8 HB VAL 93 - HD2 LYS 95 far 0 78 0 - 6.4-8.7 HB ILE 32 - HD3 LYS 31 far 0 93 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 92 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 91 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 95 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 93 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 93 0 - 6.8-12.2 HB3 ARG 23 - HD2 LYS 31 far 0 94 0 - 7.3-22.1 HB ILE 32 - HD3 LYS 36 far 0 95 0 - 7.6-8.5 HB3 LYS 31 - HD3 LYS 19 far 0 98 0 - 8.1-26.2 HB2 LYS 36 - HD3 LYS 31 far 0 93 0 - 8.1-12.5 HB2 CYS 79 - HD3 LYS 19 far 0 86 0 - 8.3-33.8 HB2 LYS 36 - HD2 LYS 31 far 0 95 0 - 8.3-12.3 HB2 LYS 86 - HD3 LYS 19 far 0 78 0 - 8.4-38.5 HB3 LYS 31 - HD2 LYS 19 far 0 99 0 - 8.4-26.6 HB VAL 93 - HD3 LYS 19 far 0 89 0 - 8.4-40.5 HB3 ARG 23 - HD3 LYS 19 far 0 97 0 - 8.5-12.9 HB2 CYS 79 - HD2 LYS 24 far 0 83 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 78 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 87 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 19 far 0 99 0 - 8.8-16.9 HB3 LYS 24 - HD2 LYS 26 far 0 92 0 - 8.8-11.0 HB3 ARG 23 - HD2 LYS 19 far 0 98 0 - 8.9-12.7 HB VAL 93 - HD2 LYS 19 far 0 91 0 - 9.3-40.8 HB3 LYS 31 - HD2 LYS 36 far 0 94 0 - 9.3-10.5 HB2 LYS 86 - HD2 LYS 19 far 0 80 0 - 9.3-38.4 HB3 LYS 26 - HD3 LYS 24 far 0 100 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 84 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 89 0 - 9.5-19.2 HB3 LYS 26 - HD2 LYS 36 far 0 94 0 - 9.7-12.7 HB2 CYS 79 - HD3 LYS 36 far 0 83 0 - 9.8-11.3 HB2 CYS 79 - HD2 LYS 36 far 0 81 0 - 9.8-11.7 HB3 LYS 24 - HD3 LYS 19 far 0 98 0 - 9.8-17.0 HB3 ARG 23 - HD2 LYS 36 far 0 93 0 - 9.9-20.6 HB2 CYS 79 - HD3 LYS 24 far 0 90 0 - 9.9-24.7 HB2 CYS 79 - HD2 LYS 19 far 0 88 0 - 9.9-33.8 HB3 LYS 31 - HD2 LYS 24 far 0 95 0 - 10.0-22.7 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 88 assignments used, quality = 1.00: * HG2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 98 98 100 100 2.2-2.7 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 96 96 100 100 2.3-3.0 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 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 93 93 100 100 2.7-2.9 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 2.3-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 89 89 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 85 85 100 100 2.6-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 84 84 100 100 2.3-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 81 81 100 100 2.3-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 80 80 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 76 76 100 100 2.5-3.0 2.9=100 QB ALA 29 - HD2 LYS 26 poor 18 92 20 - 2.5-6.4 QB ALA 16 - HD2 LYS 19 far 9 89 10 - 3.5-7.5 QB ALA 29 - HD3 LYS 26 far 9 86 10 - 2.3-7.8 QB ALA 15 - HD2 LYS 19 far 5 98 5 - 3.8-10.9 QB ALA 15 - HD3 LYS 19 far 5 97 5 - 3.7-10.4 HG2 LYS 19 - HD3 LYS 31 far 5 91 5 - 3.6-23.8 HG3 LYS 31 - HD3 LYS 26 far 0 82 0 - 4.1-12.0 QB ALA 16 - HD3 LYS 31 far 0 81 0 - 4.2-24.3 QB ALA 16 - HD3 LYS 19 far 0 87 0 - 4.2-7.8 QB ALA 12 - HD2 LYS 31 far 0 80 0 - 4.5-32.1 QB ALA 16 - HD2 LYS 31 far 0 84 0 - 4.6-24.2 QB ALA 28 - HD3 LYS 26 far 0 83 0 - 4.7-8.5 HG2 LYS 19 - HD2 LYS 31 far 0 94 0 - 4.9-23.9 QB ALA 28 - HD2 LYS 26 far 0 89 0 - 4.9-7.9 QB ALA 21 - HD2 LYS 24 far 0 51 0 - 5.1-9.6 QB ALA 12 - HD3 LYS 31 far 0 78 0 - 5.2-32.1 HG3 LYS 31 - HD2 LYS 26 far 0 88 0 - 5.4-12.2 QB ALA 21 - HD3 LYS 24 far 0 57 0 - 5.5-10.1 QB ALA 12 - HD3 LYS 95 far 0 69 0 - 5.5-31.9 QB ALA 12 - HD2 LYS 95 far 0 73 0 - 5.6-32.8 QB ALA 21 - HD2 LYS 19 far 0 55 0 - 5.6-6.4 QB ALA 21 - HD3 LYS 31 far 0 48 0 - 5.8-21.0 QB ALA 29 - HD2 LYS 36 far 0 94 0 - 6.1-9.0 QB ALA 21 - HD3 LYS 19 far 0 53 0 - 6.2-7.5 HG3 LYS 31 - HD2 LYS 36 far 0 90 0 - 6.6-10.5 HB2 LEU 96 - HD2 LYS 95 far 0 87 0 - 6.7-9.2 HG3 LYS 26 - HD3 LYS 31 far 0 92 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 94 0 - 6.9-14.3 QB ALA 21 - HD2 LYS 31 far 0 50 0 - 7.1-20.7 HB2 LEU 96 - HD3 LYS 95 far 0 83 0 - 7.1-8.9 QB ALA 12 - HD3 LYS 19 far 0 84 0 - 7.4-17.7 HG LEU 96 - HD3 LYS 95 far 0 61 0 - 7.4-9.8 QB ALA 29 - HD3 LYS 36 far 0 95 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 95 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 93 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 96 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 99 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 94 0 - 7.7-26.9 QB ALA 15 - HD3 LYS 95 far 0 83 0 - 7.8-38.1 QB ALA 28 - HD3 LYS 31 far 0 90 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 99 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 92 0 - 7.9-11.7 HG LEU 96 - HD2 LYS 95 far 0 65 0 - 8.0-10.0 QB ALA 15 - HD2 LYS 95 far 0 87 0 - 8.0-39.2 QB ALA 28 - HD2 LYS 24 far 0 93 0 - 8.1-15.1 QB ALA 21 - HD3 LYS 26 far 0 44 0 - 8.2-15.0 QB ALA 21 - HD2 LYS 26 far 0 47 0 - 8.2-15.3 QB ALA 28 - HD2 LYS 31 far 0 92 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 86 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 94 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 99 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 86 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 91 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 79 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 85 0 - 8.6-22.7 QB ALA 16 - HD2 LYS 24 far 0 84 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 100 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 93 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 95 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 93 0 - 9.1-12.8 QB ALA 12 - HD3 LYS 36 far 0 81 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 100 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 92 0 - 9.2-24.7 HG2 LYS 24 - HD3 LYS 26 far 0 87 0 - 9.3-12.6 HG3 LYS 31 - HD2 LYS 24 far 0 92 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 95 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 98 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 91 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 95 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 98 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 85 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 95 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 94 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 92 0 - 9.9-17.6 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 45 assignments used, quality = 1.00: * HG3 LYS 24 + HD3 LYS 24 OK 93 100 100 93 2.3-3.0 3.0=88, 484/5.4=14...(16) HG3 LYS 24 + HD2 LYS 24 OK 89 96 100 93 2.2-3.0 3.0=88, 484/5.4=14...(16) HG3 LYS 19 + HD2 LYS 19 OK 88 95 100 93 2.9-3.0 3.0=89, 6152/6.2=7...(22) HG3 LYS 19 + HD3 LYS 19 OK 87 94 100 93 2.3-2.8 3.0=89, 6152/6.2=7...(22) HG3 LYS 36 + HD3 LYS 36 OK 85 90 100 95 2.7-2.9 3.0=87, 3.0/1031=17...(21) HG2 LYS 31 + HD2 LYS 31 OK 85 91 100 93 2.4-3.0 2.9=90, 822/5.2=6...(14) HG3 LYS 36 + HD2 LYS 36 OK 83 88 100 95 2.8-3.0 3.0=87, 3.0/1031=17...(21) HG2 LYS 31 + HD3 LYS 31 OK 83 89 100 93 2.2-3.0 2.9=90, 822/5.2=6...(14) HG2 LYS 26 + HD2 LYS 26 OK 74 77 100 97 2.2-3.0 2.9=95, 6252/5.7=11...(13) HG2 LYS 26 + HD3 LYS 26 OK 69 71 100 97 2.2-3.0 2.9=95, 6252/5.7=11...(13) HG13 ILE 32 - HD2 LYS 26 poor 15 73 20 - 2.3-5.4 QB ALA 92 - HD2 LYS 95 far 4 71 5 - 3.1-6.5 HG13 ILE 32 - HD3 LYS 26 far 0 68 0 - 3.4-5.5 HG3 LYS 19 - HD3 LYS 31 far 0 88 0 - 3.5-23.9 HG2 LYS 31 - HD3 LYS 26 far 0 82 0 - 4.0-11.7 HG3 LYS 19 - HD2 LYS 31 far 0 90 0 - 4.2-23.7 QB ALA 92 - HD3 LYS 95 far 0 67 0 - 4.5-5.9 HG2 LYS 26 - HD3 LYS 31 far 0 78 0 - 5.1-14.0 HG2 LYS 26 - HD2 LYS 31 far 0 80 0 - 5.2-13.9 HG2 LYS 31 - HD2 LYS 26 far 0 88 0 - 5.7-12.1 HG13 ILE 32 - HD2 LYS 31 far 0 77 0 - 6.0-8.4 HG13 ILE 32 - HD3 LYS 31 far 0 74 0 - 6.2-9.0 HG3 LYS 86 - HD3 LYS 19 far 0 58 0 - 6.8-37.6 HG3 LYS 19 - HD3 LYS 24 far 0 97 0 - 7.6-15.9 HG3 LYS 86 - HD2 LYS 19 far 0 60 0 - 8.0-37.5 HG3 LYS 24 - HD2 LYS 19 far 0 99 0 - 8.0-16.0 HG2 LYS 31 - HD2 LYS 36 far 0 90 0 - 8.0-10.5 HG13 ILE 32 - HD2 LYS 36 far 0 75 0 - 8.1-8.6 HG3 LYS 36 - HD3 LYS 26 far 0 80 0 - 8.3-14.1 HG2 LYS 26 - HD3 LYS 24 far 0 89 0 - 8.3-12.6 HG3 LYS 19 - HD2 LYS 24 far 0 91 0 - 8.4-15.6 HG2 LYS 31 - HD3 LYS 19 far 0 94 0 - 8.5-25.2 HG2 LYS 31 - HD2 LYS 19 far 0 96 0 - 8.5-25.7 HG3 LYS 36 - HD2 LYS 26 far 0 86 0 - 8.6-12.6 HG3 LYS 19 - HD3 LYS 26 far 0 81 0 - 9.0-20.4 HG2 LYS 31 - HD3 LYS 36 far 0 92 0 - 9.2-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 79 0 - 9.2-12.8 HG3 LYS 24 - HD3 LYS 19 far 0 98 0 - 9.2-16.2 HG3 LYS 36 - HD3 LYS 31 far 0 87 0 - 9.4-14.3 HG2 LYS 26 - HD2 LYS 24 far 0 81 0 - 9.4-13.2 HG3 LYS 19 - HD2 LYS 26 far 0 87 0 - 9.5-19.8 HG3 LYS 36 - HD2 LYS 31 far 0 89 0 - 9.5-14.0 HG3 LYS 24 - HD3 LYS 31 far 0 93 0 - 9.8-22.2 HG13 ILE 32 - HD3 LYS 36 far 0 77 0 - 9.8-10.3 HG2 LYS 31 - HD2 LYS 24 far 0 92 0 - 10.0-23.6 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 66 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 2.3-3.0 3.0=100 HE3 LYS 19 + HD2 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 19 + HD3 LYS 19 OK 97 97 100 100 2.2-3.0 2.9=100 HE2 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 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 94 94 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 93 93 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 93 93 100 100 2.5-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 93 93 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.4-3.0 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 2.2-2.9 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 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 82 82 100 100 2.3-3.0 3.0=100 HE3 LYS 19 - HD2 LYS 31 far 0 95 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 93 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 95 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 93 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 89 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 87 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 91 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 92 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 85 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 98 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 92 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 99 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 96 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 93 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 94 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 93 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 91 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 90 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 94 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 92 0 - 7.7-13.6 HB3 ASN 121 - HD3 LYS 95 far 0 55 0 - 7.9-10.8 HE2 LYS 31 - HD3 LYS 36 far 0 94 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 98 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 94 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 90 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 98 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 91 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 98 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 91 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 96 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 99 0 - 8.6-36.9 HB3 ASN 121 - HD2 LYS 95 far 0 58 0 - 8.7-10.6 HE3 LYS 24 - HD3 LYS 19 far 0 96 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 89 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 92 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 79 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 98 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 89 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 92 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 84 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 99 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 100 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 84 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 94 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 96 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 98 0 - 9.9-17.4 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 64 assignments used, quality = 1.00: * HE3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 96 96 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 96 96 100 100 2.2-3.0 2.9=100 HE3 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.3-3.0 3.0=100 HE3 LYS 19 + HD3 LYS 19 OK 94 94 100 100 2.2-3.0 2.9=100 HE2 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 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 88 88 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.5-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 86 86 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 85 85 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 85 85 100 100 2.4-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 84 84 100 100 2.2-2.9 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 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 75 75 100 100 2.3-3.0 3.0=100 HE3 LYS 19 - HD2 LYS 31 far 0 91 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 89 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 91 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 89 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 81 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 85 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 84 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 87 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 79 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 96 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 87 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 98 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 91 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 87 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 92 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 87 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 84 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 84 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 89 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 90 0 - 7.7-13.6 HE2 LYS 31 - HD3 LYS 36 far 0 89 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 93 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 88 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 82 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 95 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 86 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 99 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 84 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 94 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 97 0 - 8.6-36.9 HE3 LYS 24 - HD3 LYS 19 far 0 98 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 83 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 84 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 89 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 92 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 83 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 84 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 78 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 98 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 98 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 78 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 87 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 89 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 96 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 558 from aliabs.peaks (1.74, 2.95, 41.80 ppm; 5.40 A): 10 out of 44 assignments used, quality = 1.00: HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 3.0-5.1 4.8=100 * HB2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 3.6-5.5 5.1=100 HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.5-4.5 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.9-4.6 5.1=100 HB2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-5.4 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.4-5.5 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 4.2-5.5 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 3.5-5.0 4.8=100 HB ILE 80 + HE3 LYS 86 OK 68 68 100 100 2.0-5.4 ~11777=67, ~11877=66...(20) HG3 ARG 90 + HE3 LYS 86 OK 43 70 65 95 3.7-8.7 11303/9660=73...(6) HB2 LYS 31 - HE2 LYS 26 far 15 98 15 - 4.9-11.4 HB2 LYS 31 - HE3 LYS 26 far 9 94 10 - 4.4-12.1 HB2 ARG 23 - HE3 LYS 31 far 5 99 5 - 4.8-21.0 HG3 ARG 90 - HE3 LYS 19 far 5 98 5 - 4.1-39.0 HB2 ARG 23 - HE2 LYS 24 far 5 99 5 - 5.6-10.2 HG3 ARG 90 - HE2 LYS 19 far 5 98 5 - 4.9-38.8 HB2 ARG 23 - HE2 LYS 31 far 5 96 5 - 4.8-21.9 HB2 ARG 23 - HE2 LYS 26 far 5 96 5 - 5.5-13.0 HB2 ARG 23 - HE3 LYS 26 far 5 91 5 - 5.2-11.7 HB2 ARG 23 - HE3 LYS 24 far 0 96 0 - 6.2-9.9 HB2 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.4-27.0 HB ILE 80 - HE3 LYS 19 far 0 97 0 - 6.5-38.3 HB2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.6-15.7 HB2 LYS 19 - HE3 LYS 24 far 0 98 0 - 6.8-15.7 HB2 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.8-15.8 HB2 LYS 19 - HE2 LYS 31 far 0 98 0 - 7.3-27.4 HB2 LYS 24 - HE3 LYS 26 far 0 94 0 - 7.4-9.9 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 7.5-17.7 HB2 LYS 19 - HE2 LYS 24 far 0 100 0 - 7.8-15.4 HB2 LYS 24 - HE2 LYS 19 far 0 100 0 - 7.8-17.5 HB2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.9-25.8 HB2 ARG 23 - HE3 LYS 19 far 0 98 0 - 7.9-12.3 HB2 ARG 23 - HE3 LYS 86 far 0 69 0 - 8.0-27.8 HB ILE 80 - HE2 LYS 19 far 0 97 0 - 8.2-38.1 HB2 LYS 19 - HE3 LYS 86 far 0 72 0 - 8.3-35.8 HB2 LYS 24 - HE2 LYS 26 far 0 98 0 - 8.3-10.9 HB2 LYS 31 - HE2 LYS 24 far 0 100 0 - 8.4-21.1 HB2 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.4-24.2 HB2 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.4-11.9 HB2 ARG 23 - HE2 LYS 19 far 0 98 0 - 8.5-13.2 HB2 LYS 19 - HE3 LYS 26 far 0 94 0 - 8.5-20.9 HB2 LYS 31 - HE2 LYS 36 far 0 97 0 - 8.8-11.9 HB2 LYS 19 - HE2 LYS 26 far 0 98 0 - 9.3-21.9 HB2 LYS 31 - HE3 LYS 24 far 0 98 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 559 from aliabs.peaks (1.81, 2.95, 41.80 ppm; 5.36 A): 12 out of 63 assignments used, quality = 1.00: * HB3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-5.0 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-5.0 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 3.2-5.4 5.1=100 HB3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 3.3-5.4 5.1=100 HB3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.4-4.6 5.1=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 3.6-5.0 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.0-5.3 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.8-4.2 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 97 97 100 100 3.5-4.5 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 94 94 100 100 3.7-4.6 4.8=100 HB ILE 32 + HE2 LYS 26 OK 78 98 80 100 4.9-6.6 2.1/10766=78...(43) HB2 LYS 86 + HE3 LYS 86 OK 53 53 100 100 1.8-3.6 4.9=100 HB3 ARG 23 - HE2 LYS 26 far 10 98 10 - 4.6-12.5 HB3 ARG 23 - HE2 LYS 24 far 5 100 5 - 4.7-9.9 HB3 LYS 19 - HE3 LYS 31 far 5 99 5 - 4.9-25.2 HB2 LYS 36 - HE2 LYS 26 far 5 98 5 - 5.4-11.8 HB3 LYS 19 - HE3 LYS 24 far 5 96 5 - 5.6-14.9 HB3 LYS 19 - HE2 LYS 31 far 5 96 5 - 5.6-25.7 HB ILE 32 - HE3 LYS 26 far 5 94 5 - 4.6-7.5 HB3 LYS 31 - HE3 LYS 26 far 5 94 5 - 6.0-13.3 HB3 ARG 23 - HE3 LYS 26 far 5 93 5 - 3.7-11.8 HB3 ARG 23 - HE3 LYS 24 far 0 98 0 - 6.1-9.9 HB3 ARG 23 - HE2 LYS 31 far 0 98 0 - 6.2-23.1 HB ILE 32 - HE2 LYS 31 far 0 98 0 - 6.3-10.3 HB3 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.3-12.4 HB3 ARG 23 - HE3 LYS 31 far 0 100 0 - 6.4-22.1 HB3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-14.0 HB3 LYS 19 - HE2 LYS 24 far 0 99 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 60 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 71 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 97 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 70 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 100 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 82 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 94 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 92 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 92 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 97 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 92 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 94 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 98 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 96 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 89 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 82 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 98 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 100 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 63 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 86 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 72 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 100 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 97 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 99 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 100 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 81 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 72 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 89 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 86 0 - 9.9-24.5 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 81 assignments used, quality = 1.00: * HG2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.1-4.1 4.0=100 HG2 LYS 19 + HE3 LYS 19 OK 99 99 100 100 2.1-4.1 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 99 99 100 100 2.8-3.7 3.8=100 HG3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.0 3.7=100 HG2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.0-4.2 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 97 97 100 100 2.3-3.8 3.6=100 HG2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 3.1-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.1-4.1 4.0=100 HG3 LYS 31 + HE2 LYS 31 OK 95 95 100 100 2.1-4.2 3.7=100 HG3 LYS 26 + HE3 LYS 26 OK 93 93 100 100 2.0-3.4 3.6=100 QB ALA 15 - HE2 LYS 19 poor 20 99 20 - 3.9-11.9 QB ALA 15 - HE3 LYS 19 far 15 99 15 - 4.1-12.5 QB ALA 29 - HE2 LYS 26 far 15 98 15 - 3.3-7.6 QB ALA 29 - HE3 LYS 26 far 9 94 10 - 4.1-8.3 QB ALA 21 - HE2 LYS 24 far 9 57 15 - 4.7-9.7 QB ALA 21 - HE3 LYS 24 far 5 54 10 - 4.5-9.2 HG2 LYS 19 - HE3 LYS 31 far 5 99 5 - 4.6-26.0 QB ALA 12 - HE3 LYS 31 far 4 89 5 - 3.6-33.9 QB ALA 16 - HE2 LYS 31 far 4 88 5 - 3.9-25.9 QB ALA 12 - HE2 LYS 31 far 4 84 5 - 4.1-33.9 QB ALA 21 - HE3 LYS 86 far 2 35 5 - 4.6-25.6 QB ALA 16 - HE2 LYS 19 lone 1 91 40 4 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 1 91 35 4 2.7-9.0 QB ALA 16 - HE3 LYS 31 far 0 92 0 - 5.2-26.1 QB ALA 21 - HE3 LYS 19 far 0 56 0 - 5.3-8.1 QB ALA 15 - HE3 LYS 86 far 0 71 0 - 5.8-32.2 QB ALA 21 - HE3 LYS 26 far 0 49 0 - 5.9-14.2 QB ALA 28 - HE2 LYS 26 far 0 96 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 95 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 97 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 90 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 91 0 - 6.1-9.5 QB ALA 21 - HE2 LYS 19 far 0 56 0 - 6.3-8.4 HG3 LYS 31 - HE3 LYS 36 far 0 94 0 - 6.3-11.5 QB ALA 12 - HE2 LYS 19 far 0 88 0 - 6.4-19.1 QB ALA 12 - HE3 LYS 19 far 0 88 0 - 6.5-19.6 HG2 LYS 19 - HE3 LYS 24 far 0 97 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 94 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 71 0 - 6.8-34.9 QB ALA 21 - HE2 LYS 26 far 0 54 0 - 6.9-15.6 QB ALA 29 - HE3 LYS 36 far 0 97 0 - 6.9-10.3 QB ALA 21 - HE3 LYS 31 far 0 57 0 - 6.9-22.6 QB ALA 29 - HE2 LYS 36 far 0 97 0 - 7.1-9.7 HG2 LYS 36 - HE2 LYS 26 far 0 98 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 98 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 93 0 - 7.5-22.4 QB ALA 29 - HE3 LYS 31 far 0 100 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.7-28.1 QB ALA 21 - HE2 LYS 31 far 0 54 0 - 7.8-22.6 QB ALA 28 - HE2 LYS 31 far 0 96 0 - 7.8-11.0 QB ALA 28 - HE3 LYS 24 far 0 96 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 99 0 - 8.0-15.1 QB ALA 28 - HE3 LYS 31 far 0 99 0 - 8.0-11.2 QB ALA 12 - HE3 LYS 86 far 0 58 0 - 8.1-32.9 HG3 LYS 31 - HE2 LYS 24 far 0 98 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 97 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 97 0 - 8.3-23.7 HG3 LYS 26 - HE3 LYS 31 far 0 100 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 97 0 - 8.6-26.5 HG2 LYS 24 - HE3 LYS 26 far 0 94 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 92 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 99 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 93 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 99 0 - 9.1-20.4 QB ALA 16 - HE2 LYS 24 far 0 92 0 - 9.1-18.0 QB ALA 15 - HE2 LYS 31 far 0 97 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.3-15.5 QB ALA 12 - HE2 LYS 36 far 0 83 0 - 9.4-36.4 QB ALA 16 - HE3 LYS 86 far 0 61 0 - 9.6-34.1 HG2 LYS 36 - HE2 LYS 31 far 0 98 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 98 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.7-15.4 QB ALA 12 - HE3 LYS 36 far 0 83 0 - 9.7-37.6 HG3 LYS 26 - HE3 LYS 19 far 0 99 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 96 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 95 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 98 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 97 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 100 0 - 9.9-12.6 HG2 LYS 24 - HE3 LYS 31 far 0 100 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 561 from aliabs.peaks (1.45, 2.95, 41.80 ppm; 4.56 A): 12 out of 46 assignments used, quality = 1.00: * HG3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.3-4.0 4.0=100 HG2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.2 3.7=100 HG3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.9 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.1-3.9 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 97 97 100 100 2.2-3.7 3.8=100 HG2 LYS 31 + HE2 LYS 31 OK 95 95 100 100 2.1-4.0 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 92 92 100 100 2.0-3.5 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 92 92 100 100 2.0-3.5 4.0=100 HG2 LYS 26 + HE2 LYS 26 OK 84 84 100 100 2.7-4.1 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 79 79 100 100 2.2-3.8 3.6=100 HG3 LYS 86 + HE3 LYS 86 OK 38 38 100 100 2.4-3.8 3.7=100 HG13 ILE 32 + HE2 LYS 26 OK 32 81 40 100 3.5-6.7 3.2/10766=57, ~10767=43...(40) HG13 ILE 32 - HE3 LYS 26 poor 15 75 20 - 4.5-7.4 HG3 LYS 19 - HE3 LYS 31 far 5 97 5 - 4.4-25.7 HG3 LYS 86 - HE3 LYS 19 far 0 62 0 - 5.3-38.4 HG3 LYS 19 - HE2 LYS 31 far 0 94 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 67 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 90 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 95 0 - 6.5-13.4 HG2 LYS 26 - HE2 LYS 31 far 0 84 0 - 6.6-15.6 HG13 ILE 32 - HE2 LYS 31 far 0 81 0 - 6.7-10.1 HG3 LYS 86 - HE2 LYS 19 far 0 62 0 - 6.8-38.4 HG13 ILE 32 - HE3 LYS 31 far 0 85 0 - 6.9-10.1 HG2 LYS 26 - HE3 LYS 31 far 0 89 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 94 0 - 7.0-15.8 HG3 LYS 36 - HE2 LYS 26 far 0 93 0 - 7.1-13.4 HG3 LYS 19 - HE3 LYS 26 far 0 89 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 94 0 - 7.4-12.4 HG3 LYS 19 - HE2 LYS 26 far 0 94 0 - 7.6-21.0 HG2 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.7-26.4 HG2 LYS 31 - HE2 LYS 36 far 0 94 0 - 8.0-11.8 HG2 LYS 31 - HE2 LYS 19 far 0 97 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 97 0 - 8.4-15.9 HG3 LYS 24 - HE3 LYS 19 far 0 100 0 - 8.6-17.0 HG3 LYS 36 - HE3 LYS 26 far 0 88 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 93 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 98 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 79 0 - 9.0-11.0 HG3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 94 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 79 0 - 9.4-11.1 QB ALA 92 - HE3 LYS 86 far 0 56 0 - 9.6-11.3 HG3 LYS 24 - HE2 LYS 26 far 0 98 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 97 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 73 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 83 0 - 9.8-14.5 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 74 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 2.3-3.0 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 2.3-3.0 3.0=100 HD3 LYS 26 + HE2 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 2.2-2.9 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 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.5-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 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 24 + HE3 LYS 24 OK 96 96 100 100 2.3-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.3-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.8-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 69 69 100 100 2.4-2.9 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 98 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 99 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 99 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 98 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 92 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 98 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 99 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 95 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 98 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 91 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 46 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 96 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 100 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 96 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 72 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 98 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 98 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 98 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 93 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 97 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 94 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 64 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 98 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 51 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 93 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 100 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 66 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 91 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 97 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 94 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 91 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 72 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 97 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 94 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 97 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 97 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 72 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 98 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 97 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 85 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 88 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 95 0 - 9.9-17.4 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 74 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 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 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 99 99 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.3-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.3-3.0 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 2.2-2.9 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 96 96 100 100 2.3-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.5-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 94 94 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 73 73 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.8-3.0 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 100 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 100 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 93 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 95 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 95 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 95 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 97 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 60 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 98 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 97 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 67 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 96 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 97 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 96 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 99 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 96 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 98 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 90 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 71 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 97 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 64 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 98 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 99 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 72 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 97 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 91 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 94 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 89 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 96 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 91 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 94 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 100 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 89 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 94 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 93 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 94 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 100 0 - 9.9-17.4 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): 12 out of 48 assignments used, quality = 1.00: * HB2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-5.4 5.1=100 HB2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 3.6-5.5 5.1=100 HB2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 3.0-5.1 4.8=100 HB2 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.5-4.5 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 94 94 100 100 2.9-4.6 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 87 87 100 100 2.4-5.5 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 87 87 100 100 4.2-5.5 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 77 77 100 100 3.5-5.0 4.8=100 HB ILE 80 + HE3 LYS 86 OK 62 62 100 100 2.0-5.4 ~11777=65, ~11877=64...(20) HB2 LYS 39 + HE2 LYS 39 OK 50 50 100 100 2.1-4.7 4.9=100 HB2 LYS 39 + HE3 LYS 39 OK 50 50 100 100 3.6-5.2 4.9=100 HG3 ARG 90 + HE3 LYS 86 OK 36 63 60 94 3.7-8.7 11303/9660=72...(6) HB2 LYS 31 - HE2 LYS 26 far 13 87 15 - 4.9-11.4 HB2 LYS 31 - HE3 LYS 26 far 8 77 10 - 4.4-12.1 HB2 ARG 23 - HE3 LYS 31 far 5 96 5 - 4.8-21.0 HB2 ARG 23 - HE2 LYS 24 far 5 96 5 - 5.6-10.2 HG3 ARG 90 - HE3 LYS 19 far 5 92 5 - 4.1-39.0 HG3 ARG 90 - HE2 LYS 19 far 5 92 5 - 4.9-38.8 HB2 ARG 23 - HE2 LYS 31 far 4 83 5 - 4.8-21.9 HB2 ARG 23 - HE2 LYS 26 far 4 83 5 - 5.5-13.0 HB2 ARG 23 - HE3 LYS 26 far 4 74 5 - 5.2-11.7 HB2 ARG 23 - HE3 LYS 24 far 0 99 0 - 6.2-9.9 HB2 LYS 19 - HE3 LYS 31 far 0 98 0 - 6.4-27.0 HB ILE 80 - HE3 LYS 19 far 0 90 0 - 6.5-38.3 HB2 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.6-15.7 HB2 LYS 19 - HE3 LYS 24 far 0 100 0 - 6.8-15.7 HB2 LYS 26 - HE2 LYS 31 far 0 87 0 - 6.8-15.8 HB2 LYS 19 - HE2 LYS 31 far 0 87 0 - 7.3-27.4 HB2 LYS 24 - HE3 LYS 26 far 0 77 0 - 7.4-9.9 HB2 LYS 24 - HE3 LYS 19 far 0 94 0 - 7.5-17.7 HB2 LYS 19 - HE2 LYS 24 far 0 98 0 - 7.8-15.4 HB2 LYS 24 - HE2 LYS 19 far 0 94 0 - 7.8-17.5 HB2 LYS 31 - HE3 LYS 19 far 0 94 0 - 7.9-25.8 HB2 ARG 23 - HE3 LYS 19 far 0 91 0 - 7.9-12.3 HB2 ARG 23 - HE3 LYS 86 far 0 62 0 - 8.0-27.8 HB ILE 80 - HE2 LYS 19 far 0 90 0 - 8.2-38.1 HB2 LYS 19 - HE3 LYS 86 far 0 66 0 - 8.3-35.8 HB2 LYS 24 - HE2 LYS 26 far 0 87 0 - 8.3-10.9 HB2 LYS 31 - HE2 LYS 24 far 0 98 0 - 8.4-21.1 HB2 LYS 31 - HE2 LYS 19 far 0 94 0 - 8.4-24.2 HB ILE 80 - HE2 LYS 39 far 0 61 0 - 8.4-12.1 HB2 LYS 31 - HE3 LYS 36 far 0 84 0 - 8.4-11.9 HB2 ARG 23 - HE2 LYS 19 far 0 91 0 - 8.5-13.2 HB2 LYS 19 - HE3 LYS 26 far 0 77 0 - 8.5-20.9 HB2 LYS 31 - HE2 LYS 36 far 0 84 0 - 8.8-11.9 HB2 LYS 19 - HE2 LYS 26 far 0 87 0 - 9.3-21.9 HB ILE 80 - HE3 LYS 39 far 0 61 0 - 9.7-12.5 HB2 LYS 31 - HE3 LYS 24 far 0 100 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 570 from aliabs.peaks (1.81, 2.94, 41.80 ppm; 5.22 A): 12 out of 66 assignments used, quality = 1.00: * HB3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.4-4.6 5.1=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.0 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.2-5.0 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 92 92 100 100 3.2-5.4 5.1=100 HB3 LYS 19 + HE2 LYS 19 OK 92 92 100 100 3.3-5.4 5.1=100 HB3 LYS 26 + HE2 LYS 26 OK 87 87 100 100 3.6-5.0 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 87 87 100 100 2.0-5.3 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 83 83 100 100 2.8-4.2 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 83 83 100 100 3.5-4.5 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 77 77 100 100 3.7-4.6 4.8=100 HB ILE 32 + HE2 LYS 26 OK 65 86 75 100 4.9-6.6 2.1/10766=73...(43) HB2 LYS 86 + HE3 LYS 86 OK 47 47 100 100 1.8-3.6 4.9=100 HB3 ARG 23 - HE2 LYS 26 far 9 86 10 - 4.6-12.5 HB3 LYS 19 - HE3 LYS 24 far 5 99 5 - 5.6-14.9 HB3 ARG 23 - HE2 LYS 24 far 5 98 5 - 4.7-9.9 HB3 LYS 19 - HE3 LYS 31 far 5 96 5 - 4.9-25.2 HB2 LYS 36 - HE2 LYS 26 far 4 86 5 - 5.4-11.8 HB3 LYS 19 - HE2 LYS 31 far 4 84 5 - 5.6-25.7 HB ILE 32 - HE3 LYS 26 far 4 77 5 - 4.6-7.5 HB3 ARG 23 - HE3 LYS 26 far 4 76 5 - 3.7-11.8 HB3 ARG 135 - HE3 LYS 39 far 3 65 5 - 5.8-10.2 HB3 LYS 31 - HE3 LYS 26 far 0 77 0 - 6.0-13.3 HB3 ARG 23 - HE3 LYS 24 far 0 100 0 - 6.1-9.9 HB3 ARG 23 - HE2 LYS 31 far 0 86 0 - 6.2-23.1 HB ILE 32 - HE2 LYS 31 far 0 86 0 - 6.3-10.3 HB3 LYS 31 - HE2 LYS 26 far 0 87 0 - 6.3-12.4 HB3 ARG 23 - HE3 LYS 31 far 0 98 0 - 6.4-22.1 HB3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-14.0 HB3 ARG 135 - HE2 LYS 39 far 0 65 0 - 6.6-10.5 HB3 LYS 19 - HE2 LYS 24 far 0 96 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 87 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 53 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 64 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 83 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 63 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 98 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 73 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 77 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 84 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 74 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 83 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 84 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 77 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 86 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 84 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 94 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 94 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 81 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 73 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 87 0 - 8.3-11.3 HB2 CYS 79 - HE2 LYS 39 far 0 53 0 - 8.5-11.5 HB2 LYS 36 - HE3 LYS 31 far 0 98 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 56 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 73 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 65 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 94 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 84 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 94 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 93 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 98 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 64 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 84 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 93 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 65 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 81 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 90 0 - 9.9-24.5 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 83 assignments used, quality = 1.00: * HG2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.0-4.2 4.0=100 HG2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.1-4.1 4.0=100 HG3 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.0-4.0 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 92 92 100 100 2.1-4.1 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.8-3.7 3.8=100 HG3 LYS 26 + HE2 LYS 26 OK 86 86 100 100 2.3-3.8 3.6=100 HG2 LYS 36 + HE3 LYS 36 OK 83 83 100 100 3.1-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 83 83 100 100 3.1-4.1 4.0=100 HG3 LYS 31 + HE2 LYS 31 OK 83 83 100 100 2.1-4.2 3.7=100 HG3 LYS 26 + HE3 LYS 26 OK 76 76 100 100 2.0-3.4 3.6=100 QB ALA 15 - HE2 LYS 19 poor 19 93 20 - 3.9-11.9 QB ALA 15 - HE3 LYS 19 far 14 93 15 - 4.1-12.5 QB ALA 29 - HE2 LYS 26 far 9 87 10 - 3.3-7.6 QB ALA 29 - HE3 LYS 26 far 8 77 10 - 4.1-8.3 QB ALA 21 - HE3 LYS 24 far 6 57 10 - 4.5-9.2 QB ALA 21 - HE2 LYS 24 far 5 54 10 - 4.7-9.7 HG2 LYS 19 - HE3 LYS 31 far 5 97 5 - 4.6-26.0 QB ALA 12 - HE3 LYS 31 far 4 84 5 - 3.6-33.9 QB ALA 16 - HE2 LYS 31 far 4 75 5 - 3.9-25.9 QB ALA 12 - HE2 LYS 31 far 4 71 5 - 4.1-33.9 QB ALA 21 - HE3 LYS 86 far 2 31 5 - 4.6-25.6 QB ALA 16 - HE2 LYS 19 lone 1 82 40 4 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 1 82 35 3 2.7-9.0 QB ALA 16 - HE3 LYS 31 far 0 88 0 - 5.2-26.1 HB2 LEU 42 - HE2 LYS 39 far 0 65 0 - 5.3-6.9 QB ALA 21 - HE3 LYS 19 far 0 49 0 - 5.3-8.1 QB ALA 15 - HE3 LYS 86 far 0 64 0 - 5.8-32.2 QB ALA 21 - HE3 LYS 26 far 0 37 0 - 5.9-14.2 QB ALA 28 - HE2 LYS 26 far 0 83 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 83 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 85 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 73 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 74 0 - 6.1-9.5 QB ALA 21 - HE2 LYS 19 far 0 49 0 - 6.3-8.4 HG3 LYS 31 - HE3 LYS 36 far 0 80 0 - 6.3-11.5 QB ALA 12 - HE2 LYS 19 far 0 79 0 - 6.4-19.1 QB ALA 12 - HE3 LYS 19 far 0 79 0 - 6.5-19.6 HG2 LYS 19 - HE3 LYS 24 far 0 99 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 80 0 - 6.5-12.0 HB2 LEU 42 - HE3 LYS 39 far 0 65 0 - 6.7-8.2 HG2 LYS 19 - HE3 LYS 86 far 0 64 0 - 6.8-34.9 QB ALA 21 - HE2 LYS 26 far 0 44 0 - 6.9-15.6 QB ALA 29 - HE3 LYS 36 far 0 84 0 - 6.9-10.3 QB ALA 21 - HE3 LYS 31 far 0 54 0 - 6.9-22.6 QB ALA 29 - HE2 LYS 36 far 0 84 0 - 7.1-9.7 HG2 LYS 36 - HE2 LYS 26 far 0 86 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 87 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 76 0 - 7.5-22.4 QB ALA 29 - HE3 LYS 31 far 0 98 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 90 0 - 7.7-28.1 QB ALA 21 - HE2 LYS 31 far 0 44 0 - 7.8-22.6 QB ALA 28 - HE2 LYS 31 far 0 83 0 - 7.8-11.0 QB ALA 28 - HE3 LYS 24 far 0 99 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 97 0 - 8.0-15.1 QB ALA 28 - HE3 LYS 31 far 0 96 0 - 8.0-11.2 QB ALA 12 - HE3 LYS 86 far 0 52 0 - 8.1-32.9 HG3 LYS 31 - HE2 LYS 24 far 0 95 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 86 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 86 0 - 8.3-23.7 HG3 LYS 26 - HE3 LYS 31 far 0 97 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 90 0 - 8.6-26.5 HG2 LYS 24 - HE3 LYS 26 far 0 77 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 75 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 96 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 76 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 85 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 93 0 - 9.1-20.4 QB ALA 16 - HE2 LYS 24 far 0 88 0 - 9.1-18.0 QB ALA 15 - HE2 LYS 31 far 0 86 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 94 0 - 9.3-15.5 QB ALA 12 - HE2 LYS 36 far 0 69 0 - 9.4-36.4 QB ALA 16 - HE3 LYS 86 far 0 55 0 - 9.6-34.1 HG2 LYS 36 - HE2 LYS 31 far 0 86 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 87 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 94 0 - 9.7-15.4 QB ALA 12 - HE3 LYS 36 far 0 69 0 - 9.7-37.6 HG3 LYS 26 - HE3 LYS 19 far 0 93 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 83 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 98 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 87 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 100 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 97 0 - 9.9-12.6 HG2 LYS 24 - HE3 LYS 31 far 0 98 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 572 from aliabs.peaks (1.45, 2.94, 41.80 ppm; 4.45 A): 12 out of 46 assignments used, quality = 1.00: * HG3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.3-3.9 4.0=100 HG3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.3-4.0 4.0=100 HG2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.0-4.2 3.7=100 HG3 LYS 19 + HE2 LYS 19 OK 89 89 100 100 2.1-3.9 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 89 89 100 100 2.2-3.7 3.8=100 HG2 LYS 31 + HE2 LYS 31 OK 83 83 100 100 2.1-4.0 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 77 77 100 100 2.0-3.5 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 77 77 100 100 2.0-3.5 4.0=100 HG2 LYS 26 + HE2 LYS 26 OK 71 71 100 100 2.7-4.1 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 62 62 100 100 2.2-3.8 3.6=100 HG3 LYS 86 + HE3 LYS 86 OK 34 34 100 100 2.4-3.8 3.7=100 HG13 ILE 32 + HE2 LYS 26 OK 27 68 40 99 3.5-6.7 3.2/10766=53, ~10767=40...(40) HG13 ILE 32 - HE3 LYS 26 poor 12 59 20 - 4.5-7.4 HG3 LYS 19 - HE3 LYS 31 far 5 94 5 - 4.4-25.7 HG3 LYS 86 - HE3 LYS 19 far 0 54 0 - 5.3-38.4 HG3 LYS 19 - HE2 LYS 31 far 0 82 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 61 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 73 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 83 0 - 6.5-13.4 HG2 LYS 26 - HE2 LYS 31 far 0 71 0 - 6.6-15.6 HG13 ILE 32 - HE2 LYS 31 far 0 68 0 - 6.7-10.1 HG3 LYS 86 - HE2 LYS 19 far 0 54 0 - 6.8-38.4 HG13 ILE 32 - HE3 LYS 31 far 0 81 0 - 6.9-10.1 HG2 LYS 26 - HE3 LYS 31 far 0 84 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 97 0 - 7.0-15.8 HG3 LYS 36 - HE2 LYS 26 far 0 80 0 - 7.1-13.4 HG3 LYS 19 - HE3 LYS 26 far 0 72 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 80 0 - 7.4-12.4 HG3 LYS 19 - HE2 LYS 26 far 0 82 0 - 7.6-21.0 HG2 LYS 31 - HE3 LYS 19 far 0 90 0 - 7.7-26.4 HG2 LYS 31 - HE2 LYS 36 far 0 80 0 - 8.0-11.8 HG2 LYS 31 - HE2 LYS 19 far 0 90 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 94 0 - 8.4-15.9 HG3 LYS 24 - HE3 LYS 19 far 0 94 0 - 8.6-17.0 HG3 LYS 36 - HE3 LYS 26 far 0 71 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 80 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 95 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 65 0 - 9.0-11.0 HG3 LYS 24 - HE2 LYS 19 far 0 94 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 77 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 65 0 - 9.4-11.1 QB ALA 92 - HE3 LYS 86 far 0 51 0 - 9.6-11.3 HG3 LYS 24 - HE2 LYS 26 far 0 87 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 93 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 66 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 69 0 - 9.8-14.5 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 78 assignments used, quality = 1.00: * HD2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 99 99 100 100 2.3-3.0 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 2.3-3.0 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 + HE3 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 26 + HE2 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 2.2-2.9 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 86 86 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.3-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 84 84 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 84 84 100 100 2.5-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 84 84 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 84 84 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 77 77 100 100 2.3-3.0 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 2.8-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 62 62 100 100 2.4-2.9 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 50 50 100 100 2.2-3.0 2.9=100 HD2 LYS 39 + HE2 LYS 39 OK 50 50 100 100 2.5-3.0 2.9=100 HG LEU 43 + HE2 LYS 39 OK 49 50 100 97 1.9-4.5 10569/10571=41...(16) HG LEU 43 - HE3 LYS 39 far 5 50 10 - 2.8-5.6 HD3 LYS 86 - HE3 LYS 19 far 0 91 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 93 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 92 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 94 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 92 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 91 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 77 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 75 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 87 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 93 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 87 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 91 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 87 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 93 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 78 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 41 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 82 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 98 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 82 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 65 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 83 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 87 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 87 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 98 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 87 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 80 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 85 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 77 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 57 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 86 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 46 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 97 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 83 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 98 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 60 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 95 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 84 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 77 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 74 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 64 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 84 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 77 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 84 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 93 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 64 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 91 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 84 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 68 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 71 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 91 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 574 from aliabs.peaks (1.65, 2.94, 41.80 ppm; 4.00 A): 25 out of 78 assignments used, quality = 1.00: * HD3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 99 99 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 94 94 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 93 93 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.3-3.0 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 2.2-2.9 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 83 83 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 80 80 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 80 80 100 100 2.5-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 80 80 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 80 80 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 66 66 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 65 65 100 100 2.8-3.0 3.0=100 HG LEU 43 + HE2 LYS 39 OK 59 61 100 97 1.9-4.5 10569/10571=40...(16) HD2 LYS 39 + HE3 LYS 39 OK 37 37 100 100 2.2-3.0 2.9=100 HD2 LYS 39 + HE2 LYS 39 OK 37 37 100 100 2.5-3.0 2.9=100 HG LEU 43 - HE3 LYS 39 far 6 61 10 - 2.8-5.6 HD3 LYS 86 - HE3 LYS 19 far 0 94 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 94 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 94 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 93 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 94 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 93 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 76 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 95 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 77 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 83 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 94 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 83 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 97 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 83 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 98 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 86 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 53 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 84 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 95 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 84 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 61 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 83 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 85 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 83 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 97 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 83 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 86 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 87 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 73 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 64 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 86 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 57 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 83 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 96 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 65 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 100 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 82 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 74 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 77 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 81 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 82 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 74 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 80 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 98 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 81 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 94 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 80 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 76 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 77 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 97 0 - 9.9-17.4 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 9 assignments used, quality = 0.97: * HB THR 25 + HA THR 25 OK 91 100 100 91 2.3-2.6 3.0=66, 583/3.0=32...(10) HB THR 18 + HA THR 18 OK 67 74 100 91 2.7-3.0 3.0=66, 6140/3.0=35...(10) HA ALA 88 - HA PHE 87 far 0 23 0 - 4.7-4.8 HB THR 25 - HA SER 74 far 0 99 0 - 7.0-22.1 HB THR 25 - HA THR 18 far 0 77 0 - 7.1-16.8 HA ALA 34 - HA SER 74 far 0 69 0 - 7.9-9.7 HA ALA 34 - HA THR 25 far 0 71 0 - 8.1-15.0 HA GLU 30 - HA THR 25 far 0 68 0 - 9.0-14.5 HB THR 18 - HA SER 74 far 0 97 0 - 9.9-34.6 Violated in 0 structures by 0.00 A. Peak 581 from aliabs.peaks (1.18, 4.29, 61.45 ppm; 3.23 A increased from 2.72 A): 2 out of 11 assignments used, quality = 1.00: * QG2 THR 25 + HA THR 25 OK 100 100 100 100 2.3-3.2 3.2=100 QG2 THR 18 + HA THR 18 OK 70 70 100 100 2.7-3.1 3.2=100 QG2 VAL 77 - HA SER 74 far 0 96 0 - 4.2-5.1 QG2 VAL 77 - HA PHE 87 far 0 27 0 - 4.2-4.9 QG2 THR 25 - HA THR 18 far 0 77 0 - 5.3-14.0 HG12 ILE 32 - HA THR 25 far 0 76 0 - 5.6-10.5 QG2 THR 25 - HA SER 74 far 0 99 0 - 6.0-18.6 QG2 VAL 77 - HA THR 18 far 0 73 0 - 8.0-28.7 QG2 THR 18 - HA SER 74 far 0 94 0 - 8.2-28.5 QG2 THR 18 - HA THR 25 far 0 96 0 - 9.0-14.4 QG2 THR 18 - HA PHE 87 far 0 26 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 584 from aliabs.peaks (4.29, 4.19, 69.70 ppm; 3.99 A): 2 out of 20 assignments used, quality = 1.00: * HA THR 25 + HB THR 25 OK 100 100 100 100 2.3-2.6 3.0=100 HA THR 18 + HB THR 18 OK 86 86 100 100 2.7-3.0 3.0=100 HA ALA 16 - HB THR 18 far 4 80 5 - 4.3-8.1 HA LYS 26 - HB THR 25 far 0 78 0 - 4.7-6.0 HA LYS 19 - HB THR 18 far 0 71 0 - 4.8-5.4 HA LEU 22 - HB THR 25 far 0 71 0 - 5.9-10.8 HA ALA 21 - HB THR 25 far 0 100 0 - 6.2-13.4 HA ALA 15 - HB THR 18 far 0 84 0 - 6.4-11.1 HA LYS 19 - HB THR 25 far 0 85 0 - 6.5-16.5 HA ALA 21 - HB THR 18 far 0 89 0 - 6.8-8.1 HA SER 74 - HB THR 25 far 0 100 0 - 7.0-22.1 HA THR 18 - HB THR 25 far 0 98 0 - 7.1-16.8 HA ARG 23 - HB THR 25 far 0 96 0 - 7.1-8.4 HA LEU 22 - HB THR 18 far 0 58 0 - 7.3-10.5 HA ALA 12 - HB THR 18 far 0 89 0 - 7.9-20.8 HA LYS 36 - HB THR 25 far 0 99 0 - 8.8-18.1 HA ARG 23 - HB THR 18 far 0 83 0 - 9.6-12.4 HA LYS 31 - HB THR 25 far 0 83 0 - 9.7-17.2 HA ALA 15 - HB THR 25 far 0 97 0 - 9.8-24.7 HA SER 74 - HB THR 18 far 0 90 0 - 9.9-34.6 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 7 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 0 76 0 - 6.5-12.0 QG2 THR 25 - HB THR 18 far 0 90 0 - 7.0-15.9 QG2 THR 18 - HB THR 25 far 0 96 0 - 7.6-15.6 QG2 VAL 77 - HB THR 18 far 0 86 0 - 9.9-30.8 QG2 VAL 77 - HB THR 25 far 0 98 0 - 10.0-18.2 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 26 assignments used, quality = 1.00: * HA THR 25 + QG2 THR 25 OK 100 100 100 100 2.3-3.2 3.2=100 HA THR 18 + QG2 THR 18 OK 82 82 100 100 2.7-3.1 3.2=100 HA LYS 19 + QG2 THR 18 OK 60 67 100 89 2.8-2.9 3.0/6147=44, ~6146=25...(12) HA LYS 26 + QG2 THR 25 OK 53 78 75 90 3.4-5.6 2.9/6248=53, ~6247=25...(13) HA LYS 19 - QG2 THR 25 far 0 85 0 - 4.1-13.8 HA ALA 21 - QG2 THR 25 far 0 100 0 - 4.2-10.8 HA ARG 23 - QG2 THR 25 far 0 96 0 - 4.3-7.3 HA LEU 22 - QG2 THR 18 far 0 55 0 - 4.4-7.9 HA ALA 16 - QG2 THR 18 far 0 76 0 - 5.3-7.9 HA THR 18 - QG2 THR 25 far 0 98 0 - 5.3-14.0 HA ALA 21 - QG2 THR 18 far 0 85 0 - 5.7-6.7 HA LEU 22 - QG2 THR 25 far 0 71 0 - 5.7-9.2 HA SER 74 - QG2 THR 25 far 0 100 0 - 6.0-18.6 HA ALA 15 - QG2 THR 18 far 0 80 0 - 6.1-10.6 HA ARG 23 - QG2 THR 18 far 0 79 0 - 6.3-9.7 HA ALA 15 - QG2 THR 25 far 0 97 0 - 7.3-20.9 HA LYS 31 - QG2 THR 25 far 0 83 0 - 7.8-13.1 HA ALA 12 - QG2 THR 18 far 0 85 0 - 8.0-18.7 HA SER 74 - QG2 THR 18 far 0 86 0 - 8.2-28.5 HA LYS 26 - QG2 THR 18 far 0 61 0 - 8.5-14.9 HA TYR 76 - QG2 THR 25 far 0 89 0 - 8.6-15.4 HA ALA 16 - QG2 THR 25 far 0 93 0 - 8.8-18.3 HA LYS 31 - QG2 THR 18 far 0 65 0 - 8.9-23.7 HA THR 25 - QG2 THR 18 far 0 87 0 - 9.0-14.4 HA LYS 36 - QG2 THR 25 far 0 99 0 - 9.4-15.4 HA PHE 87 - QG2 THR 18 far 0 65 0 - 10.0-32.4 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 6 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 ALA 34 - QG2 THR 25 far 0 71 0 - 6.6-12.8 HB THR 18 - QG2 THR 25 far 0 99 0 - 7.0-15.9 HB THR 25 - QG2 THR 18 far 0 87 0 - 7.6-15.6 HA GLU 30 - QG2 THR 25 far 0 68 0 - 8.3-11.6 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): 4 out of 23 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 3.0-3.0 3.0=100 HB2 LYS 19 + HA LYS 19 OK 100 100 100 100 2.3-2.4 3.0=100 HB2 ARG 23 + HA ARG 23 OK 49 49 100 100 2.3-3.0 3.0=100 HB2 LYS 31 - HA LYS 26 far 5 100 5 - 4.3-11.2 HB2 LYS 24 - HA LYS 19 far 5 100 5 - 4.0-13.5 HB2 LYS 31 - HA ARG 23 far 3 51 5 - 2.6-16.6 HB2 ARG 23 - HA LYS 19 far 0 98 0 - 4.5-9.3 HB2 LYS 24 - HA ARG 23 far 0 51 0 - 4.6-6.1 HB2 LYS 26 - HA LYS 31 far 0 100 0 - 4.9-11.8 HB2 ARG 23 - HA LYS 31 far 0 99 0 - 5.8-19.1 HB2 LYS 24 - HA LYS 26 far 0 100 0 - 6.2-8.2 HB2 LYS 19 - HA ARG 23 far 0 51 0 - 6.3-11.2 HB2 LYS 31 - HA LYS 19 far 0 100 0 - 6.8-22.9 HB2 ARG 23 - HA LYS 26 far 0 99 0 - 6.9-10.2 HB2 LYS 26 - HA ARG 23 far 0 51 0 - 7.0-10.2 HB2 LYS 19 - HA LYS 31 far 0 100 0 - 7.3-26.4 HB2 LYS 26 - HA LYS 36 far 0 51 0 - 7.9-15.0 HG3 ARG 90 - HA LYS 19 far 0 98 0 - 9.2-34.8 HB2 LYS 19 - HA LYS 26 far 0 100 0 - 9.4-17.1 HB2 LYS 24 - HA LYS 31 far 0 100 0 - 9.6-19.4 HB2 LYS 26 - HA LYS 19 far 0 100 0 - 9.7-17.9 HB ILE 80 - HA LYS 19 far 0 96 0 - 9.9-34.2 Violated in 0 structures by 0.00 A. Peak 596 from aliabs.peaks (1.81, 4.27, 56.30 ppm; 3.60 A): 5 out of 29 assignments used, quality = 1.00: * HB3 LYS 26 + HA LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 31 + HA LYS 31 OK 100 100 100 100 2.5-2.6 3.0=100 HB3 LYS 19 + HA LYS 19 OK 98 98 100 100 2.5-2.7 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 2.2-2.9 3.0=100 HB3 LYS 31 - HA ARG 23 far 3 51 5 - 4.2-18.0 HB3 LYS 31 - HA LYS 26 far 0 100 0 - 4.5-12.4 HB3 LYS 26 - HA LYS 31 far 0 100 0 - 4.5-10.2 HB ILE 32 - HA LYS 26 far 0 100 0 - 4.8-10.0 HB ILE 32 - HA LYS 31 far 0 100 0 - 4.8-5.6 HB3 LYS 24 - HA ARG 23 far 0 51 0 - 5.0-6.4 HB3 ARG 23 - HA LYS 26 far 0 100 0 - 5.4-10.0 HB3 LYS 19 - HA ARG 23 far 0 48 0 - 5.5-10.2 HB3 LYS 24 - HA LYS 19 far 0 100 0 - 5.5-13.9 HB3 LYS 19 - HA LYS 31 far 0 98 0 - 5.6-24.7 HB3 LYS 31 - HA LYS 19 far 0 99 0 - 5.7-24.3 HB3 ARG 23 - HA LYS 19 far 0 99 0 - 5.8-10.6 HB ILE 32 - HA LYS 36 far 0 50 0 - 6.4-7.7 HB3 LYS 24 - HA LYS 26 far 0 100 0 - 6.7-8.2 HB3 ARG 23 - HA LYS 31 far 0 100 0 - 7.2-20.2 HB ILE 32 - HA ARG 23 far 0 50 0 - 7.3-15.8 HB2 CYS 79 - HA LYS 36 far 0 42 0 - 7.7-10.1 HB3 LYS 19 - HA LYS 26 far 0 99 0 - 7.7-15.6 HB2 LYS 36 - HA LYS 31 far 0 100 0 - 7.8-9.5 HB2 CYS 79 - HA LYS 19 far 0 91 0 - 8.0-30.8 HB3 LYS 26 - HA ARG 23 far 0 51 0 - 8.1-10.1 HB2 CYS 79 - HA ARG 23 far 0 42 0 - 8.4-22.1 HB3 LYS 26 - HA LYS 36 far 0 51 0 - 8.7-14.1 HB2 LYS 36 - HA LYS 26 far 0 100 0 - 9.4-16.2 Violated in 0 structures by 0.00 A. Peak 597 from aliabs.peaks (1.43, 4.27, 56.30 ppm; 4.22 A): 4 out of 26 assignments used, quality = 1.00: * HG2 LYS 26 + HA LYS 26 OK 100 100 100 100 2.9-4.2 4.0=100 HG3 LYS 19 + HA LYS 19 OK 98 98 100 100 4.2-4.2 4.2=100 HG2 LYS 31 + HA LYS 31 OK 68 68 100 100 2.2-3.7 3.8=100 HG3 LYS 36 + HA LYS 36 OK 26 26 100 100 3.4-3.5 4.1=100 HG13 ILE 32 - HA LYS 26 far 10 100 10 - 3.1-8.1 HG3 LYS 24 - HA LYS 19 far 4 87 5 - 4.3-12.8 HG2 LYS 31 - HA ARG 23 far 1 28 5 - 3.0-18.6 HG3 LYS 24 - HA ARG 23 far 0 40 0 - 4.8-6.7 HG13 ILE 32 - HA LYS 31 far 0 100 0 - 5.0-5.6 HG2 LYS 26 - HA LYS 31 far 0 100 0 - 5.1-11.8 HG3 LYS 19 - HA LYS 31 far 0 99 0 - 6.2-25.0 HG2 LYS 31 - HA LYS 19 far 0 67 0 - 6.3-23.8 QB ALA 34 - HA LYS 26 far 0 90 0 - 6.3-10.4 QB ALA 34 - HA LYS 36 far 0 41 0 - 6.3-6.4 HG2 LYS 31 - HA LYS 26 far 0 68 0 - 6.5-13.6 HG2 LYS 26 - HA ARG 23 far 0 51 0 - 6.6-11.4 HG13 ILE 32 - HA ARG 23 far 0 51 0 - 6.6-14.3 QB ALA 34 - HA ARG 23 far 0 41 0 - 7.1-14.0 HG3 LYS 19 - HA ARG 23 far 0 49 0 - 7.2-11.5 QB ALA 34 - HA LYS 19 far 0 89 0 - 7.7-21.5 HG3 LYS 19 - HA LYS 26 far 0 99 0 - 7.8-16.3 HG2 LYS 26 - HA LYS 36 far 0 51 0 - 8.1-13.8 HG3 LYS 24 - HA LYS 26 far 0 89 0 - 8.4-9.7 QB ALA 34 - HA LYS 31 far 0 90 0 - 8.5-8.9 HG13 ILE 32 - HA LYS 36 far 0 51 0 - 8.5-10.0 HG3 LYS 36 - HA LYS 31 far 0 62 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 598 from aliabs.peaks (1.38, 4.27, 56.30 ppm; 3.61 A): 4 out of 33 assignments used, quality = 1.00: * HG3 LYS 26 + HA LYS 26 OK 99 100 100 99 2.6-3.7 4.0=71, 6253/2.9=57...(31) HG3 LYS 31 + HA LYS 31 OK 98 100 100 99 2.2-3.7 3.8=85, 1.8/822=29...(21) HG2 LYS 19 + HA LYS 19 OK 95 95 100 99 3.5-3.6 4.2=66, 6151/3.0=52...(39) HG2 LYS 36 + HA LYS 36 OK 51 51 100 99 3.1-3.3 4.1=67, 6394/3.0=51...(29) QB ALA 28 - HA LYS 26 far 15 100 15 - 3.8-7.7 HG2 LYS 24 - HA ARG 23 far 5 50 10 - 4.1-5.3 QB ALA 28 - HA ARG 23 far 3 51 5 - 3.3-13.3 HG3 LYS 31 - HA ARG 23 far 3 50 5 - 3.3-17.9 HG2 LYS 24 - HA LYS 19 far 0 99 0 - 4.8-11.2 HG3 LYS 31 - HA LYS 19 far 0 99 0 - 4.8-25.5 QB ALA 29 - HA LYS 36 far 0 51 0 - 5.2-8.8 QB ALA 29 - HA LYS 31 far 0 100 0 - 5.5-6.6 QB ALA 29 - HA LYS 26 far 0 100 0 - 5.6-9.5 QB ALA 16 - HA LYS 19 far 0 96 0 - 6.1-9.7 QB ALA 12 - HA LYS 31 far 0 78 0 - 6.2-33.7 QB ALA 28 - HA LYS 31 far 0 100 0 - 6.6-7.7 HG3 LYS 26 - HA LYS 31 far 0 100 0 - 6.6-12.4 HG3 LYS 31 - HA LYS 26 far 0 100 0 - 6.8-12.7 HG2 LYS 19 - HA ARG 23 far 0 46 0 - 6.8-10.5 QB ALA 15 - HA LYS 19 far 0 100 0 - 6.9-12.4 HG3 LYS 26 - HA ARG 23 far 0 51 0 - 6.9-9.9 HG2 LYS 19 - HA LYS 31 far 0 96 0 - 6.9-25.0 HG3 LYS 26 - HA LYS 36 far 0 51 0 - 7.8-13.9 QB ALA 16 - HA LYS 31 far 0 97 0 - 7.9-25.4 QB ALA 29 - HA ARG 23 far 0 51 0 - 7.9-14.7 HG2 LYS 24 - HA LYS 26 far 0 100 0 - 8.0-9.2 QB ALA 28 - HA LYS 19 far 0 99 0 - 8.6-20.2 QB ALA 15 - HA ARG 23 far 0 51 0 - 8.9-15.3 HG2 LYS 19 - HA LYS 26 far 0 97 0 - 8.9-15.8 QB ALA 12 - HA LYS 19 far 0 77 0 - 9.1-20.2 HG2 LYS 24 - HA LYS 31 far 0 99 0 - 9.5-19.9 QB ALA 16 - HA ARG 23 far 0 47 0 - 9.7-14.0 HG3 LYS 26 - HA LYS 19 far 0 100 0 - 9.9-17.8 Violated in 0 structures by 0.00 A. Peak 599 from aliabs.peaks (1.66, 4.27, 56.30 ppm; 4.52 A): 8 out of 39 assignments used, quality = 1.00: HD3 LYS 31 + HA LYS 31 OK 100 100 100 100 1.9-4.8 5.2=65, ~6332=34...(32) HD2 LYS 31 + HA LYS 31 OK 99 100 100 100 2.0-4.7 5.2=65, ~6332=34...(32) HD2 LYS 19 + HA LYS 19 OK 97 97 100 100 3.5-4.4 5.2=67, ~6151=38...(42) HD3 LYS 19 + HA LYS 19 OK 95 95 100 100 3.8-5.0 5.2=67, ~6151=38...(41) * HD2 LYS 26 + HA LYS 26 OK 95 100 95 100 2.0-5.1 5.0=75, ~6253=39...(34) HD3 LYS 26 + HA LYS 26 OK 80 100 80 100 2.0-5.3 5.0=75, ~6253=39...(34) HD2 LYS 36 + HA LYS 36 OK 50 51 100 100 4.6-4.6 5.3=63, 1042/3.0=41...(29) HD3 LYS 36 + HA LYS 36 OK 41 51 80 100 4.9-5.2 5.3=63, 1031/3.0=41...(30) HD3 LYS 26 - HA LYS 31 far 10 100 10 - 4.0-10.4 HD2 LYS 24 - HA ARG 23 far 5 51 10 - 5.0-7.8 HD2 LYS 26 - HA LYS 31 far 5 100 5 - 5.1-10.1 HD3 LYS 31 - HA LYS 19 far 5 100 5 - 4.2-24.3 HD3 LYS 24 - HA ARG 23 far 5 50 10 - 4.0-7.6 HD2 LYS 31 - HA LYS 19 far 5 99 5 - 5.1-24.1 HD3 LYS 31 - HA ARG 23 far 0 51 0 - 5.4-17.9 HD2 LYS 31 - HA ARG 23 far 0 50 0 - 5.5-19.1 HD2 LYS 26 - HA LYS 36 far 0 51 0 - 5.9-11.4 HD3 LYS 26 - HA LYS 36 far 0 51 0 - 6.0-12.7 HD3 LYS 26 - HA ARG 23 far 0 51 0 - 6.4-12.1 HD2 LYS 31 - HA LYS 26 far 0 100 0 - 6.5-14.6 HD2 LYS 24 - HA LYS 19 far 0 100 0 - 6.5-12.9 HD3 LYS 24 - HA LYS 19 far 0 99 0 - 6.6-13.2 HD3 LYS 24 - HA LYS 26 far 0 99 0 - 6.8-10.5 HD2 LYS 36 - HA LYS 31 far 0 100 0 - 7.5-8.1 HD3 LYS 31 - HA LYS 26 far 0 100 0 - 7.8-13.5 HD2 LYS 24 - HA LYS 26 far 0 100 0 - 7.8-10.9 HD2 LYS 26 - HA ARG 23 far 0 51 0 - 7.9-11.1 HD3 LYS 19 - HA LYS 31 far 0 96 0 - 8.3-27.0 HD3 LYS 19 - HA ARG 23 far 0 46 0 - 8.4-12.6 HD2 LYS 86 - HA LYS 19 far 0 99 0 - 8.6-32.1 HD2 LYS 19 - HA ARG 23 far 0 48 0 - 8.7-12.2 HD2 LYS 19 - HA LYS 31 far 0 98 0 - 8.9-27.5 HD3 LYS 36 - HA LYS 31 far 0 100 0 - 9.1-9.5 HD2 LYS 86 - HA ARG 23 far 0 51 0 - 9.1-23.7 HD3 LYS 86 - HA LYS 19 far 0 99 0 - 9.3-32.9 HD2 LYS 36 - HA ARG 23 far 0 51 0 - 9.5-19.6 HD3 LYS 26 - HA LYS 19 far 0 99 0 - 9.7-20.2 HD3 LYS 86 - HA ARG 23 far 0 50 0 - 9.9-24.8 HD3 LYS 19 - HA LYS 26 far 0 97 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 600 from aliabs.peaks (1.66, 4.27, 56.30 ppm; 4.51 A): 8 out of 39 assignments used, quality = 1.00: HD3 LYS 31 + HA LYS 31 OK 99 100 100 100 1.9-4.8 5.2=65, ~6332=34...(32) HD2 LYS 31 + HA LYS 31 OK 98 99 100 100 2.0-4.7 5.2=65, ~6332=34...(32) HD2 LYS 26 + HA LYS 26 OK 95 100 95 100 2.0-5.1 5.0=75, ~6253=39...(34) HD2 LYS 19 + HA LYS 19 OK 94 94 100 100 3.5-4.4 5.2=67, ~6151=37...(42) HD3 LYS 19 + HA LYS 19 OK 91 92 100 100 3.8-5.0 5.2=67, ~6151=37...(41) * HD3 LYS 26 + HA LYS 26 OK 80 100 80 100 2.0-5.3 5.0=75, ~6253=39...(34) HD2 LYS 36 + HA LYS 36 OK 51 51 100 100 4.6-4.6 5.3=63, 1042/3.0=41...(29) HD3 LYS 36 + HA LYS 36 OK 38 51 75 100 4.9-5.2 5.3=63, 1031/3.0=41...(30) HD3 LYS 26 - HA LYS 31 far 10 100 10 - 4.0-10.4 HD2 LYS 24 - HA ARG 23 far 5 51 10 - 5.0-7.8 HD2 LYS 26 - HA LYS 31 far 5 100 5 - 5.1-10.1 HD3 LYS 31 - HA LYS 19 far 5 99 5 - 4.2-24.3 HD2 LYS 31 - HA LYS 19 far 5 98 5 - 5.1-24.1 HD3 LYS 24 - HA ARG 23 far 2 48 5 - 4.0-7.6 HD3 LYS 31 - HA ARG 23 far 0 50 0 - 5.4-17.9 HD2 LYS 31 - HA ARG 23 far 0 49 0 - 5.5-19.1 HD2 LYS 26 - HA LYS 36 far 0 51 0 - 5.9-11.4 HD3 LYS 26 - HA LYS 36 far 0 51 0 - 6.0-12.7 HD3 LYS 26 - HA ARG 23 far 0 51 0 - 6.4-12.1 HD2 LYS 31 - HA LYS 26 far 0 99 0 - 6.5-14.6 HD2 LYS 24 - HA LYS 19 far 0 100 0 - 6.5-12.9 HD3 LYS 24 - HA LYS 19 far 0 97 0 - 6.6-13.2 HD3 LYS 24 - HA LYS 26 far 0 98 0 - 6.8-10.5 HD2 LYS 36 - HA LYS 31 far 0 100 0 - 7.5-8.1 HD3 LYS 31 - HA LYS 26 far 0 100 0 - 7.8-13.5 HD2 LYS 24 - HA LYS 26 far 0 100 0 - 7.8-10.9 HD2 LYS 26 - HA ARG 23 far 0 51 0 - 7.9-11.1 HD3 LYS 19 - HA LYS 31 far 0 93 0 - 8.3-27.0 HD3 LYS 19 - HA ARG 23 far 0 43 0 - 8.4-12.6 HD2 LYS 86 - HA LYS 19 far 0 99 0 - 8.6-32.1 HD2 LYS 19 - HA ARG 23 far 0 45 0 - 8.7-12.2 HD2 LYS 19 - HA LYS 31 far 0 95 0 - 8.9-27.5 HD3 LYS 36 - HA LYS 31 far 0 100 0 - 9.1-9.5 HD2 LYS 86 - HA ARG 23 far 0 50 0 - 9.1-23.7 HD3 LYS 86 - HA LYS 19 far 0 97 0 - 9.3-32.9 HD2 LYS 36 - HA ARG 23 far 0 51 0 - 9.5-19.6 HD3 LYS 26 - HA LYS 19 far 0 100 0 - 9.7-20.2 HD3 LYS 86 - HA ARG 23 far 0 48 0 - 9.9-24.8 HD3 LYS 19 - HA LYS 26 far 0 93 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 605 from aliabs.peaks (4.27, 1.75, 32.59 ppm; 3.43 A): 3 out of 44 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 2.3-2.4 3.0=100 HA LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 19 - HB2 LYS 24 far 5 100 5 - 4.0-13.5 HA ARG 23 - HB2 LYS 31 far 5 97 5 - 2.6-16.6 HA ALA 21 - HB2 LYS 24 far 3 65 5 - 3.2-10.2 HA THR 25 - HB2 LYS 24 far 0 78 0 - 4.2-5.0 HA GLN 27 - HB2 LYS 26 far 0 81 0 - 4.2-5.8 HA LEU 22 - HB2 LYS 24 far 0 100 0 - 4.2-7.1 HA ALA 28 - HB2 LYS 26 far 0 73 0 - 4.3-8.0 HA LYS 26 - HB2 LYS 31 far 0 100 0 - 4.3-11.2 HA THR 25 - HB2 LYS 26 far 0 78 0 - 4.5-5.6 HA ARG 23 - HB2 LYS 24 far 0 97 0 - 4.6-6.1 HA LYS 31 - HB2 LYS 26 far 0 100 0 - 4.9-11.8 HA SER 74 - HB2 LYS 19 far 0 82 0 - 5.6-34.6 HA THR 18 - HB2 LYS 19 far 0 94 0 - 6.0-6.2 HA LYS 26 - HB2 LYS 24 far 0 100 0 - 6.2-8.2 HA ALA 16 - HB2 LYS 19 far 0 98 0 - 6.3-10.0 HA ARG 23 - HB2 LYS 19 far 0 97 0 - 6.3-11.2 HA LEU 22 - HB2 LYS 31 far 0 100 0 - 6.8-20.4 HA LYS 19 - HB2 LYS 31 far 0 100 0 - 6.8-22.9 HA GLN 27 - HB2 LYS 31 far 0 80 0 - 6.8-10.6 HA ALA 15 - HB2 LYS 19 far 0 96 0 - 6.9-13.3 HA ARG 23 - HB2 LYS 26 far 0 97 0 - 7.0-10.2 HA THR 25 - HB2 LYS 31 far 0 77 0 - 7.1-15.0 HA THR 18 - HB2 LYS 24 far 0 94 0 - 7.3-14.1 HA LYS 31 - HB2 LYS 19 far 0 100 0 - 7.3-26.4 HA ALA 12 - HB2 LYS 19 far 0 88 0 - 7.3-22.3 HA THR 25 - HB2 LYS 19 far 0 78 0 - 7.6-17.0 HA LYS 36 - HB2 LYS 26 far 0 90 0 - 7.9-15.0 HA LEU 22 - HB2 LYS 19 far 0 100 0 - 7.9-10.4 HA ALA 21 - HB2 LYS 31 far 0 65 0 - 8.0-21.9 HA ALA 21 - HB2 LYS 19 far 0 65 0 - 8.1-8.5 HA GLN 27 - HB2 LYS 24 far 0 80 0 - 8.3-10.8 HA ALA 28 - HB2 LYS 24 far 0 73 0 - 8.4-13.7 HA ALA 28 - HB2 LYS 31 far 0 72 0 - 8.5-9.9 HA SER 74 - HB2 LYS 24 far 0 83 0 - 8.6-21.9 HA LEU 22 - HB2 LYS 26 far 0 100 0 - 8.7-13.8 HA ALA 12 - HB2 LYS 31 far 0 88 0 - 9.0-37.5 HA LYS 26 - HB2 LYS 19 far 0 100 0 - 9.4-17.1 HA LYS 31 - HB2 LYS 24 far 0 100 0 - 9.6-19.4 HA GLN 27 - HB2 LYS 19 far 0 80 0 - 9.7-21.0 HA LYS 19 - HB2 LYS 26 far 0 100 0 - 9.7-17.9 HA ALA 16 - HB2 LYS 31 far 0 98 0 - 9.8-27.0 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 28 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 LYS 26 - HB2 LYS 31 far 5 100 5 - 2.8-9.8 HB3 LYS 31 - HB2 LYS 26 far 0 100 0 - 3.3-12.5 HB3 LYS 19 - HB2 LYS 24 far 0 99 0 - 4.2-14.4 HB3 ARG 23 - HB2 LYS 31 far 0 100 0 - 5.4-19.6 HB ILE 32 - HB2 LYS 26 far 0 100 0 - 5.4-8.5 HB ILE 32 - HB2 LYS 31 far 0 99 0 - 6.0-6.4 HB3 ARG 23 - HB2 LYS 24 far 0 100 0 - 6.1-7.3 HB3 LYS 19 - HB2 LYS 31 far 0 98 0 - 6.3-22.1 HB3 ARG 23 - HB2 LYS 26 far 0 100 0 - 6.4-12.2 HB3 LYS 31 - HB2 LYS 19 far 0 100 0 - 6.5-25.3 HB3 ARG 23 - HB2 LYS 19 far 0 100 0 - 6.5-12.1 HB3 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.6-15.6 HB2 CYS 79 - HB2 LYS 39 far 0 52 0 - 6.8-9.6 HB2 CYS 79 - HB2 LYS 19 far 0 91 0 - 7.0-32.6 HB3 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.9-19.1 HB3 LYS 24 - HB2 LYS 31 far 0 100 0 - 7.9-18.7 HB3 LYS 24 - HB2 LYS 26 far 0 100 0 - 8.1-9.9 HB2 LYS 36 - HB2 LYS 26 far 0 100 0 - 8.3-14.6 HB3 ARG 135 - HB2 LYS 39 far 0 61 0 - 8.3-11.2 HB3 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.6-10.2 HB2 LYS 36 - HB2 LYS 31 far 0 100 0 - 9.1-11.4 HB2 CYS 79 - HB2 LYS 24 far 0 92 0 - 9.4-22.1 HB2 LYS 86 - HB2 LYS 19 far 0 80 0 - 9.5-37.3 HB3 LYS 19 - HB2 LYS 26 far 0 99 0 - 9.7-17.7 Violated in 0 structures by 0.00 A. Peak 608 from aliabs.peaks (1.43, 1.75, 32.59 ppm; 3.53 A): 4 out of 23 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 2.7-2.8 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 2.2-2.9 3.0=100 HG2 LYS 26 - HB2 LYS 31 poor 20 100 20 - 2.4-11.6 HG2 LYS 31 - HB2 LYS 26 far 0 68 0 - 4.5-14.0 HG13 ILE 32 - HB2 LYS 26 far 0 100 0 - 4.5-7.0 HG13 ILE 32 - HB2 LYS 31 far 0 100 0 - 4.6-6.1 QB ALA 34 - HB2 LYS 26 far 0 90 0 - 5.3-9.6 HG3 LYS 24 - HB2 LYS 19 far 0 88 0 - 6.1-14.5 HG3 LYS 19 - HB2 LYS 24 far 0 99 0 - 6.3-15.3 HG3 LYS 19 - HB2 LYS 31 far 0 99 0 - 6.6-22.5 QB ALA 34 - HB2 LYS 19 far 0 90 0 - 7.0-22.9 HG2 LYS 31 - HB2 LYS 19 far 0 68 0 - 7.2-24.6 HG2 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.3-9.8 HG3 LYS 24 - HB2 LYS 31 far 0 88 0 - 7.4-19.6 QB ALA 34 - HB2 LYS 24 far 0 90 0 - 7.6-13.6 QB ALA 34 - HB2 LYS 31 far 0 89 0 - 8.0-8.8 HG2 LYS 31 - HB2 LYS 24 far 0 68 0 - 8.1-20.1 HG2 LYS 86 - HB2 LYS 19 far 0 88 0 - 8.6-36.3 HG13 ILE 32 - HB2 LYS 24 far 0 100 0 - 9.1-14.3 HG3 LYS 19 - HB2 LYS 26 far 0 99 0 - 9.5-17.7 HG3 LYS 24 - HB2 LYS 26 far 0 89 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 609 from aliabs.peaks (1.38, 1.75, 32.59 ppm; 3.56 A): 4 out of 28 assignments used, quality = 1.00: * HG3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HB2 LYS 19 OK 96 96 100 100 2.9-2.9 3.0=100 HG3 LYS 26 - HB2 LYS 31 far 10 100 10 - 4.0-11.8 QB ALA 28 - HB2 LYS 26 far 0 100 0 - 4.3-7.9 QB ALA 29 - HB2 LYS 26 far 0 100 0 - 4.8-8.9 HG3 LYS 31 - HB2 LYS 26 far 0 100 0 - 5.1-12.9 HB2 LEU 42 - HB2 LYS 39 far 0 59 0 - 5.3-6.0 QB ALA 15 - HB2 LYS 19 far 0 100 0 - 5.5-12.4 QB ALA 16 - HB2 LYS 19 far 0 97 0 - 5.7-9.3 QB ALA 12 - HB2 LYS 31 far 0 77 0 - 5.8-31.3 QB ALA 28 - HB2 LYS 24 far 0 100 0 - 5.9-13.1 HG3 LYS 31 - HB2 LYS 19 far 0 100 0 - 6.0-26.3 QB ALA 28 - HB2 LYS 31 far 0 100 0 - 6.3-7.9 HG2 LYS 19 - HB2 LYS 24 far 0 96 0 - 6.4-14.3 HG2 LYS 24 - HB2 LYS 31 far 0 99 0 - 6.6-18.9 HG2 LYS 24 - HB2 LYS 19 far 0 99 0 - 6.7-13.0 QB ALA 16 - HB2 LYS 31 far 0 97 0 - 6.8-23.1 QB ALA 29 - HB2 LYS 31 far 0 100 0 - 7.0-7.5 HG3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.1-8.9 HG2 LYS 19 - HB2 LYS 31 far 0 96 0 - 7.6-22.5 QB ALA 12 - HB2 LYS 19 far 0 78 0 - 7.7-19.6 HG3 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.7-20.6 QB ALA 29 - HB2 LYS 24 far 0 100 0 - 7.9-14.1 QB ALA 15 - HB2 LYS 24 far 0 100 0 - 9.2-18.3 HG2 LYS 24 - HB2 LYS 26 far 0 100 0 - 9.2-11.0 HG3 LYS 26 - HB2 LYS 19 far 0 100 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 610 from aliabs.peaks (1.66, 1.75, 32.59 ppm; 4.74 A): 10 out of 34 assignments used, quality = 1.00: * HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.1-4.0 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.6-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.3-3.9 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 2.1-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.6-3.7 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 98 98 100 100 2.2-3.2 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 96 96 100 100 2.0-3.5 3.9=100 HG LEU 43 + HB2 LYS 39 OK 50 50 100 100 3.4-5.3 ~11901=55, ~11073=44...(23) HD2 LYS 39 + HB2 LYS 39 OK 45 45 100 100 2.6-3.7 3.6=100 HD2 LYS 26 - HB2 LYS 31 poor 20 100 20 - 3.7-10.0 HD3 LYS 26 - HB2 LYS 31 poor 20 100 20 - 2.1-9.6 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.6-25.0 HD2 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.2-25.0 HD2 LYS 31 - HB2 LYS 26 far 0 100 0 - 5.4-13.3 HD3 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.1-13.8 HD2 LYS 86 - HB2 LYS 19 far 0 100 0 - 6.5-34.1 HD3 LYS 86 - HB2 LYS 19 far 0 99 0 - 7.1-35.0 HD2 LYS 19 - HB2 LYS 24 far 0 98 0 - 7.3-16.3 HD3 LYS 24 - HB2 LYS 19 far 0 99 0 - 7.9-15.5 HD3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.9-11.0 HD3 LYS 19 - HB2 LYS 31 far 0 96 0 - 8.2-24.6 HD2 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.2-15.2 HD3 LYS 19 - HB2 LYS 24 far 0 96 0 - 8.2-16.3 HD2 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.4-9.8 HD3 LYS 24 - HB2 LYS 26 far 0 99 0 - 8.4-11.9 HD2 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.6-11.1 HD2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.8-21.3 HD2 LYS 19 - HB2 LYS 31 far 0 97 0 - 9.2-25.0 HD3 LYS 24 - HB2 LYS 31 far 0 99 0 - 9.4-20.4 HD2 LYS 24 - HB2 LYS 26 far 0 100 0 - 9.6-12.5 HD3 LYS 36 - HB2 LYS 31 far 0 100 0 - 9.7-11.4 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.2 HD2 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 611 from aliabs.peaks (1.66, 1.75, 32.59 ppm; 4.74 A): 10 out of 34 assignments used, quality = 1.00: * HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.3-3.9 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.6-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.1-4.0 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 2.1-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 98 98 100 100 2.6-3.7 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 95 95 100 100 2.2-3.2 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 93 93 100 100 2.0-3.5 3.9=100 HD2 LYS 39 + HB2 LYS 39 OK 49 49 100 100 2.6-3.7 3.6=100 HG LEU 43 + HB2 LYS 39 OK 46 46 100 100 3.4-5.3 ~11901=55, ~11073=44...(23) HD3 LYS 26 - HB2 LYS 31 poor 20 100 20 - 2.1-9.6 HD2 LYS 26 - HB2 LYS 31 poor 20 100 20 - 3.7-10.0 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.6-25.0 HD2 LYS 31 - HB2 LYS 19 far 5 99 5 - 5.2-25.0 HD2 LYS 31 - HB2 LYS 26 far 0 99 0 - 5.4-13.3 HD3 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.1-13.8 HD2 LYS 86 - HB2 LYS 19 far 0 99 0 - 6.5-34.1 HD3 LYS 86 - HB2 LYS 19 far 0 98 0 - 7.1-35.0 HD2 LYS 19 - HB2 LYS 24 far 0 96 0 - 7.3-16.3 HD3 LYS 24 - HB2 LYS 19 far 0 98 0 - 7.9-15.5 HD3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.9-11.0 HD3 LYS 19 - HB2 LYS 31 far 0 92 0 - 8.2-24.6 HD2 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.2-15.2 HD3 LYS 19 - HB2 LYS 24 far 0 93 0 - 8.2-16.3 HD2 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.4-9.8 HD3 LYS 24 - HB2 LYS 26 far 0 98 0 - 8.4-11.9 HD2 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.6-11.1 HD2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.8-21.3 HD2 LYS 19 - HB2 LYS 31 far 0 95 0 - 9.2-25.0 HD3 LYS 24 - HB2 LYS 31 far 0 97 0 - 9.4-20.4 HD2 LYS 24 - HB2 LYS 26 far 0 100 0 - 9.6-12.5 HD3 LYS 36 - HB2 LYS 31 far 0 100 0 - 9.7-11.4 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.2 HD2 LYS 31 - HB2 LYS 24 far 0 99 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 612 from aliabs.peaks (2.96, 1.75, 32.59 ppm; 5.81 A): 10 out of 31 assignments used, quality = 1.00: * HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 4.2-5.5 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 3.5-5.0 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.4-5.5 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.5-4.5 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.9-4.6 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 3.6-5.5 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 3.0-5.1 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 96 96 100 100 2.2-5.4 5.1=100 HE2 LYS 39 + HB2 LYS 39 OK 29 29 100 100 2.1-4.7 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 29 29 100 100 3.6-5.2 4.9=100 HE2 LYS 26 - HB2 LYS 31 poor 20 100 20 - 4.9-11.4 HE3 LYS 31 - HB2 LYS 19 far 5 99 5 - 6.4-27.0 HE3 LYS 26 - HB2 LYS 31 lone 1 100 25 6 4.4-12.1 6337/6331=1 HE3 LYS 31 - HB2 LYS 26 far 0 99 0 - 6.6-15.7 HE3 LYS 24 - HB2 LYS 19 far 0 95 0 - 6.8-15.7 HE2 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.8-15.8 HE2 LYS 31 - HB2 LYS 19 far 0 100 0 - 7.3-27.4 HE3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.4-9.9 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.5-17.7 HE2 LYS 24 - HB2 LYS 19 far 0 99 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.8-17.5 HE3 LYS 19 - HB2 LYS 31 far 0 100 0 - 7.9-25.8 HE3 LYS 86 - HB2 LYS 19 far 0 100 0 - 8.3-35.8 HE2 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.3-10.9 HE2 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.4-21.1 HE2 LYS 19 - HB2 LYS 31 far 0 100 0 - 8.4-24.2 HE3 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.4-11.9 HE3 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.5-20.9 HE2 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.8-11.9 HE2 LYS 26 - HB2 LYS 19 far 0 100 0 - 9.3-21.9 HE3 LYS 24 - HB2 LYS 31 far 0 95 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 613 from aliabs.peaks (2.96, 1.75, 32.59 ppm; 5.78 A): 8 out of 29 assignments used, quality = 1.00: * HE3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 3.5-5.0 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 4.2-5.5 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.4-5.5 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.5-4.5 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.9-4.6 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 98 98 100 100 3.6-5.5 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 97 97 100 100 3.0-5.1 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 92 92 100 100 2.2-5.4 5.1=100 HE2 LYS 26 - HB2 LYS 31 poor 20 100 20 - 4.9-11.4 HE3 LYS 31 - HB2 LYS 19 far 5 98 5 - 6.4-27.0 HE3 LYS 26 - HB2 LYS 31 lone 1 100 25 6 4.4-12.1 6337/6331=1 HE3 LYS 31 - HB2 LYS 26 far 0 98 0 - 6.6-15.7 HE3 LYS 24 - HB2 LYS 19 far 0 91 0 - 6.8-15.7 HE2 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.8-15.8 HE2 LYS 31 - HB2 LYS 19 far 0 100 0 - 7.3-27.4 HE3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.4-9.9 HE3 LYS 19 - HB2 LYS 24 far 0 99 0 - 7.5-17.7 HE2 LYS 24 - HB2 LYS 19 far 0 98 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 99 0 - 7.8-17.5 HE3 LYS 19 - HB2 LYS 31 far 0 99 0 - 7.9-25.8 HE3 LYS 86 - HB2 LYS 19 far 0 99 0 - 8.3-35.8 HE2 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.3-10.9 HE2 LYS 24 - HB2 LYS 31 far 0 97 0 - 8.4-21.1 HE2 LYS 19 - HB2 LYS 31 far 0 99 0 - 8.4-24.2 HE3 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.4-11.9 HE3 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.5-20.9 HE2 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.8-11.9 HE2 LYS 26 - HB2 LYS 19 far 0 100 0 - 9.3-21.9 HE3 LYS 24 - HB2 LYS 31 far 0 91 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 616 from aliabs.peaks (4.27, 1.81, 32.59 ppm; 3.58 A): 4 out of 48 assignments used, quality = 1.00: * HA LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.5-2.6 3.0=100 HA LYS 19 + HB3 LYS 19 OK 95 95 100 100 2.5-2.7 3.0=100 HA LYS 36 + HB2 LYS 36 OK 67 67 100 100 2.2-2.9 3.0=100 HA GLN 27 - HB3 LYS 26 far 8 81 10 - 4.1-5.2 HA THR 25 - HB3 LYS 24 far 4 78 5 - 4.0-5.1 HA ALA 28 - HB3 LYS 26 far 4 73 5 - 4.0-7.0 HA ARG 23 - HB3 LYS 31 far 0 96 0 - 4.2-18.0 HA LYS 26 - HB3 LYS 31 far 0 100 0 - 4.5-12.4 HA LYS 31 - HB3 LYS 26 far 0 100 0 - 4.5-10.2 HA ALA 21 - HB3 LYS 24 far 0 65 0 - 4.9-10.5 HA ARG 23 - HB3 LYS 24 far 0 97 0 - 5.0-6.4 HA THR 25 - HB3 LYS 26 far 0 78 0 - 5.0-5.9 HA LEU 22 - HB3 LYS 24 far 0 100 0 - 5.3-7.5 HA ARG 23 - HB3 LYS 19 far 0 91 0 - 5.5-10.2 HA LYS 19 - HB3 LYS 24 far 0 100 0 - 5.5-13.9 HA LYS 31 - HB3 LYS 19 far 0 95 0 - 5.6-24.7 HA LYS 19 - HB3 LYS 31 far 0 99 0 - 5.7-24.3 HA ALA 16 - HB3 LYS 19 far 0 93 0 - 5.7-10.7 HA SER 74 - HB3 LYS 19 far 0 75 0 - 5.9-33.4 HA THR 25 - HB3 LYS 19 far 0 71 0 - 6.3-15.9 HA ALA 12 - HB3 LYS 19 far 0 81 0 - 6.3-23.2 HA THR 18 - HB3 LYS 19 far 0 87 0 - 6.4-6.6 HA ALA 15 - HB3 LYS 19 far 0 90 0 - 6.5-13.8 HA LYS 26 - HB3 LYS 24 far 0 100 0 - 6.7-8.2 HA GLN 27 - HB3 LYS 31 far 0 79 0 - 7.1-11.4 HA ALA 21 - HB3 LYS 19 far 0 58 0 - 7.2-8.0 HA SER 74 - HB3 LYS 24 far 0 83 0 - 7.3-23.2 HA LEU 22 - HB3 LYS 31 far 0 99 0 - 7.4-21.9 HA THR 25 - HB3 LYS 31 far 0 77 0 - 7.6-16.2 HA LEU 22 - HB3 LYS 19 far 0 95 0 - 7.6-9.6 HA LYS 26 - HB3 LYS 19 far 0 96 0 - 7.7-15.6 HA LYS 31 - HB2 LYS 36 far 0 81 0 - 7.8-9.5 HA GLN 27 - HB3 LYS 19 far 0 73 0 - 8.1-19.6 HA ARG 23 - HB3 LYS 26 far 0 97 0 - 8.1-10.1 HA LEU 22 - HB3 LYS 26 far 0 100 0 - 8.2-13.9 HA ALA 21 - HB3 LYS 31 far 0 64 0 - 8.4-23.5 HA LYS 36 - HB3 LYS 26 far 0 90 0 - 8.7-14.1 HA THR 25 - HB2 LYS 36 far 0 56 0 - 9.0-16.2 HA ALA 28 - HB3 LYS 31 far 0 72 0 - 9.0-10.2 HA THR 18 - HB3 LYS 24 far 0 94 0 - 9.0-14.7 HA GLN 27 - HB3 LYS 24 far 0 80 0 - 9.2-10.6 HA ALA 28 - HB3 LYS 24 far 0 73 0 - 9.3-14.5 HA ALA 12 - HB3 LYS 31 far 0 87 0 - 9.4-38.7 HA LYS 26 - HB2 LYS 36 far 0 81 0 - 9.4-16.2 HA THR 18 - HB3 LYS 31 far 0 93 0 - 9.5-26.0 HA ALA 16 - HB3 LYS 31 far 0 98 0 - 9.6-28.5 HA PHE 87 - HB3 LYS 19 far 0 95 0 - 9.8-38.8 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 23 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 31 - HB3 LYS 26 far 5 100 5 - 2.8-9.8 HB2 LYS 26 - HB3 LYS 31 far 0 100 0 - 3.3-12.5 HB2 ARG 23 - HB3 LYS 19 far 0 93 0 - 4.0-9.5 HB2 LYS 24 - HB3 LYS 19 far 0 96 0 - 4.2-14.4 HB2 ARG 23 - HB3 LYS 31 far 0 98 0 - 5.4-20.0 HB2 LYS 31 - HB3 LYS 19 far 0 95 0 - 6.3-22.1 HB2 ARG 23 - HB3 LYS 24 far 0 99 0 - 6.3-7.9 HB2 LYS 19 - HB3 LYS 31 far 0 99 0 - 6.5-25.3 HB2 LYS 19 - HB3 LYS 24 far 0 100 0 - 6.6-15.6 HG3 ARG 90 - HB3 LYS 19 far 0 93 0 - 7.1-35.7 HB2 LYS 24 - HB3 LYS 31 far 0 100 0 - 7.9-19.1 HB2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.9-18.7 HB2 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.1-9.9 HB ILE 80 - HB3 LYS 19 far 0 91 0 - 8.3-34.8 HB2 LYS 26 - HB2 LYS 36 far 0 81 0 - 8.3-14.6 HB2 LYS 24 - HB3 LYS 26 far 0 100 0 - 8.6-10.2 HB2 ARG 23 - HB3 LYS 26 far 0 99 0 - 8.8-12.3 HB2 LYS 31 - HB2 LYS 36 far 0 81 0 - 9.1-11.4 HB2 LYS 26 - HB3 LYS 19 far 0 96 0 - 9.7-17.7 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): 6 out of 28 assignments used, quality = 1.00: * HG2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HB3 LYS 19 OK 93 93 100 100 2.2-2.2 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 89 89 100 100 2.4-2.7 2.9=100 HG2 LYS 31 + HB3 LYS 31 OK 67 67 100 100 2.3-3.0 3.0=100 HG13 ILE 32 + HB3 LYS 26 OK 52 100 60 87 3.2-5.7 1.8/913=26, 2.1/10751=25...(20) HG3 LYS 36 + HB2 LYS 36 OK 44 44 100 100 2.2-2.9 3.0=100 HG2 LYS 26 - HB3 LYS 31 far 10 100 10 - 3.5-12.8 HG2 LYS 31 - HB3 LYS 26 far 0 68 0 - 5.1-12.2 QB ALA 34 - HB2 LYS 36 far 0 67 0 - 5.4-6.8 HG13 ILE 32 - HB3 LYS 31 far 0 99 0 - 5.5-6.8 HG2 LYS 31 - HB3 LYS 19 far 0 61 0 - 5.6-22.9 HG3 LYS 24 - HB3 LYS 19 far 0 81 0 - 5.6-13.8 QB ALA 34 - HB3 LYS 26 far 0 90 0 - 6.0-8.6 HG3 LYS 19 - HB3 LYS 31 far 0 98 0 - 6.3-24.1 QB ALA 34 - HB3 LYS 19 far 0 83 0 - 6.8-21.7 QB ALA 34 - HB3 LYS 24 far 0 90 0 - 7.1-14.4 HG13 ILE 32 - HB2 LYS 36 far 0 81 0 - 7.2-9.3 HG2 LYS 26 - HB3 LYS 24 far 0 100 0 - 7.5-10.2 HG3 LYS 19 - HB3 LYS 24 far 0 99 0 - 7.9-15.5 HG2 LYS 86 - HB3 LYS 19 far 0 81 0 - 8.2-35.0 HG2 LYS 26 - HB2 LYS 36 far 0 81 0 - 8.3-12.6 HG3 LYS 24 - HB3 LYS 31 far 0 87 0 - 8.8-21.0 HG2 LYS 31 - HB2 LYS 36 far 0 48 0 - 9.0-11.1 HG2 LYS 31 - HB3 LYS 24 far 0 68 0 - 9.1-21.2 QB ALA 34 - HB3 LYS 31 far 0 89 0 - 9.3-10.0 HG2 LYS 26 - HB3 LYS 19 far 0 96 0 - 9.5-18.7 HG3 LYS 19 - HB3 LYS 26 far 0 99 0 - 9.9-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 100 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 620 from aliabs.peaks (1.38, 1.81, 32.59 ppm; 3.59 A): 5 out of 31 assignments used, quality = 1.00: * HG3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.4-3.0 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 2.7-2.8 3.0=100 HG2 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.7-2.9 3.0=100 QB ALA 28 - HB3 LYS 26 far 10 100 10 - 3.7-6.5 QB ALA 29 - HB3 LYS 26 far 10 100 10 - 4.0-7.6 HG3 LYS 31 - HB3 LYS 19 far 0 95 0 - 4.5-24.5 QB ALA 29 - HB2 LYS 36 far 0 80 0 - 5.0-8.1 HG3 LYS 31 - HB3 LYS 26 far 0 100 0 - 5.1-11.5 QB ALA 15 - HB3 LYS 19 far 0 96 0 - 5.1-12.8 HG3 LYS 26 - HB3 LYS 31 far 0 100 0 - 5.2-13.1 HG2 LYS 24 - HB3 LYS 19 far 0 95 0 - 5.9-12.2 QB ALA 12 - HB3 LYS 31 far 0 77 0 - 6.1-32.3 QB ALA 28 - HB3 LYS 31 far 0 99 0 - 6.3-7.6 QB ALA 28 - HB3 LYS 24 far 0 100 0 - 6.4-12.7 QB ALA 16 - HB3 LYS 31 far 0 96 0 - 6.4-24.2 QB ALA 16 - HB3 LYS 19 far 0 91 0 - 6.6-10.0 HG2 LYS 19 - HB3 LYS 31 far 0 95 0 - 6.7-24.1 QB ALA 12 - HB3 LYS 19 far 0 71 0 - 6.9-20.3 QB ALA 29 - HB3 LYS 31 far 0 99 0 - 7.0-7.7 HG3 LYS 31 - HB2 LYS 36 far 0 80 0 - 7.5-12.4 HG3 LYS 26 - HB3 LYS 24 far 0 100 0 - 7.5-8.6 HG2 LYS 24 - HB3 LYS 31 far 0 99 0 - 7.8-20.3 QB ALA 29 - HB3 LYS 24 far 0 100 0 - 7.8-14.9 HG3 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.9-18.0 HG2 LYS 19 - HB3 LYS 24 far 0 96 0 - 8.1-14.8 HG3 LYS 26 - HB2 LYS 36 far 0 81 0 - 8.6-13.7 HG3 LYS 31 - HB3 LYS 24 far 0 100 0 - 8.9-20.1 QB ALA 12 - HB2 LYS 36 far 0 56 0 - 9.6-35.7 QB ALA 28 - HB2 LYS 36 far 0 80 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 621 from aliabs.peaks (1.66, 1.81, 32.59 ppm; 4.30 A): 10 out of 36 assignments used, quality = 1.00: * HD2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-3.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-3.3 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-4.1 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.1-3.7 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.0-3.8 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 92 92 100 100 3.5-4.1 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 90 90 100 100 3.3-4.2 3.9=100 HD3 LYS 36 + HB2 LYS 36 OK 81 81 100 100 3.0-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 80 80 100 100 2.0-3.2 3.5=100 HD3 LYS 26 - HB3 LYS 31 far 10 99 10 - 3.5-10.7 HD2 LYS 26 - HB3 LYS 31 far 5 100 5 - 4.7-11.2 HD3 LYS 31 - HB3 LYS 19 far 5 96 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 19 far 5 95 5 - 3.4-23.3 HD2 LYS 31 - HB3 LYS 26 far 0 100 0 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 80 0 - 6.1-12.6 HD2 LYS 26 - HB2 LYS 36 far 0 81 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 94 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 95 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 95 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 100 0 - 6.8-12.2 HD3 LYS 86 - HB3 LYS 19 far 0 94 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 95 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 81 0 - 8.1-12.5 HD2 LYS 31 - HB2 LYS 36 far 0 80 0 - 8.3-12.3 HD2 LYS 19 - HB3 LYS 31 far 0 97 0 - 8.4-26.6 HD3 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 98 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.3-10.5 HD3 LYS 24 - HB3 LYS 26 far 0 99 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 95 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 96 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 100 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 96 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 99 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 622 from aliabs.peaks (1.66, 1.81, 32.59 ppm; 4.29 A): 10 out of 36 assignments used, quality = 1.00: * HD3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-3.3 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-3.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.1-4.1 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.0-3.8 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 98 98 100 100 2.1-3.7 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 89 89 100 100 3.5-4.1 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 86 86 100 100 3.3-4.2 3.9=100 HD2 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.0-3.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 81 81 100 100 3.0-4.0 3.5=100 HD3 LYS 26 - HB3 LYS 31 far 10 100 10 - 3.5-10.7 HD2 LYS 26 - HB3 LYS 31 far 5 99 5 - 4.7-11.2 HD3 LYS 31 - HB3 LYS 19 far 5 95 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 19 far 5 93 5 - 3.4-23.3 HD2 LYS 31 - HB3 LYS 26 far 0 99 0 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 81 0 - 6.1-12.6 HD2 LYS 26 - HB2 LYS 36 far 0 80 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 92 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 96 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 94 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 100 0 - 6.8-12.2 HD3 LYS 86 - HB3 LYS 19 far 0 92 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 92 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 80 0 - 8.1-12.5 HD2 LYS 31 - HB2 LYS 36 far 0 78 0 - 8.3-12.3 HD2 LYS 19 - HB3 LYS 31 far 0 94 0 - 8.4-26.6 HD3 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 96 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 100 0 - 9.3-10.5 HD3 LYS 24 - HB3 LYS 26 far 0 98 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 96 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 95 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 100 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 93 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 623 from aliabs.peaks (2.96, 1.81, 32.59 ppm; 6.08 A): 10 out of 34 assignments used, quality = 1.00: * HE2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.6-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.7-4.6 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-5.3 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.0-5.0 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.2-5.0 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.4-4.6 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 95 95 100 100 3.2-5.4 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 95 95 100 100 3.3-5.4 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.8-4.2 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 81 81 100 100 3.5-4.5 4.9=100 HE2 LYS 26 - HB3 LYS 31 far 10 100 10 - 6.3-12.4 HE3 LYS 26 - HB3 LYS 31 far 10 99 10 - 6.0-13.3 HE3 LYS 31 - HB3 LYS 26 far 5 99 5 - 6.5-14.0 HE2 LYS 31 - HB3 LYS 19 far 5 96 5 - 5.6-25.7 HE3 LYS 31 - HB3 LYS 19 far 5 94 5 - 4.9-25.2 HE3 LYS 24 - HB3 LYS 19 far 4 89 5 - 5.6-14.9 HE2 LYS 26 - HB2 LYS 36 far 4 81 5 - 5.4-11.8 HE2 LYS 24 - HB3 LYS 19 far 0 94 0 - 6.7-14.4 HE2 LYS 31 - HB3 LYS 26 far 0 100 0 - 6.8-14.2 HE3 LYS 86 - HB3 LYS 19 far 0 95 0 - 6.9-34.7 HE3 LYS 26 - HB2 LYS 36 far 0 80 0 - 7.1-12.9 HE3 LYS 26 - HB3 LYS 19 far 0 95 0 - 7.3-19.5 HE3 LYS 26 - HB3 LYS 24 far 0 100 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 81 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 96 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 99 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 99 0 - 8.2-25.8 HE2 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 79 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 100 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 100 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 99 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 100 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 624 from aliabs.peaks (2.96, 1.81, 32.59 ppm; 6.06 A): 10 out of 34 assignments used, quality = 1.00: * HE3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.7-4.6 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.6-5.0 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.0-5.3 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 98 98 100 100 2.0-5.0 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.2-5.0 4.8=100 HE3 LYS 19 + HB3 LYS 19 OK 94 94 100 100 3.2-5.4 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 94 94 100 100 3.3-5.4 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 92 92 100 100 2.4-4.6 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.8-4.2 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 81 81 100 100 3.5-4.5 4.9=100 HE3 LYS 26 - HB3 LYS 31 far 10 100 10 - 6.0-13.3 HE2 LYS 26 - HB3 LYS 31 far 10 99 10 - 6.3-12.4 HE3 LYS 31 - HB3 LYS 26 far 5 98 5 - 6.5-14.0 HE2 LYS 31 - HB3 LYS 19 far 5 95 5 - 5.6-25.7 HE3 LYS 31 - HB3 LYS 19 far 5 92 5 - 4.9-25.2 HE3 LYS 24 - HB3 LYS 19 far 4 84 5 - 5.6-14.9 HE2 LYS 26 - HB2 LYS 36 far 4 80 5 - 5.4-11.8 HE2 LYS 24 - HB3 LYS 19 far 0 92 0 - 6.7-14.4 HE2 LYS 31 - HB3 LYS 26 far 0 100 0 - 6.8-14.2 HE3 LYS 86 - HB3 LYS 19 far 0 93 0 - 6.9-34.7 HE3 LYS 26 - HB2 LYS 36 far 0 81 0 - 7.1-12.9 HE3 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.3-19.5 HE3 LYS 26 - HB3 LYS 24 far 0 100 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 80 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 95 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 99 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 99 0 - 8.2-25.8 HE2 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 77 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 99 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 99 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 97 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 627 from aliabs.peaks (4.27, 1.43, 24.54 ppm; 4.37 A increased from 3.88 A): 4 out of 31 assignments used, quality = 1.00: * HA LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.9-4.2 4.0=100 HA LYS 19 + HG3 LYS 19 OK 97 97 100 100 4.2-4.2 4.2=100 HA THR 25 + HG2 LYS 26 OK 38 78 50 96 3.4-5.7 3.6/6252=67...(12) HA LEU 22 + HG3 LYS 24 OK 33 67 70 69 3.6-7.2 374/10756=20, ~1309=16...(12) HA ARG 23 - HG3 LYS 24 far 9 63 15 - 4.8-6.7 HA ALA 16 - HG3 LYS 19 far 5 94 5 - 4.0-9.6 HA ALA 15 - HG3 LYS 19 far 5 92 5 - 4.4-13.1 HA GLN 27 - HG2 LYS 26 far 4 81 5 - 4.7-6.9 HA ALA 28 - HG2 LYS 26 far 4 73 5 - 4.1-9.0 HA LYS 19 - HG3 LYS 24 far 3 67 5 - 4.3-12.8 HA ALA 21 - HG3 LYS 24 far 0 37 0 - 5.0-10.5 HA SER 74 - HG3 LYS 19 far 0 77 0 - 5.1-34.0 HA LYS 31 - HG2 LYS 26 far 0 100 0 - 5.1-11.8 HA ALA 12 - HG3 LYS 19 far 0 83 0 - 5.5-22.9 HA LYS 31 - HG3 LYS 19 far 0 97 0 - 6.2-25.0 HA THR 25 - HG3 LYS 24 far 0 46 0 - 6.4-6.9 HA THR 18 - HG3 LYS 19 far 0 89 0 - 6.4-6.9 HA ARG 23 - HG2 LYS 26 far 0 97 0 - 6.6-11.4 HA ARG 23 - HG3 LYS 19 far 0 93 0 - 7.2-11.5 HA THR 25 - HG3 LYS 19 far 0 72 0 - 7.7-16.4 HA GLN 27 - HG3 LYS 19 far 0 75 0 - 7.7-20.5 HA ALA 21 - HG3 LYS 19 far 0 60 0 - 7.8-8.4 HA LYS 26 - HG3 LYS 19 far 0 97 0 - 7.8-16.3 HA PHE 87 - HG3 LYS 19 far 0 97 0 - 8.0-39.9 HA LYS 36 - HG2 LYS 26 far 0 90 0 - 8.1-13.8 HA THR 18 - HG3 LYS 24 far 0 59 0 - 8.1-14.4 HA LYS 26 - HG3 LYS 24 far 0 68 0 - 8.4-9.7 HA LEU 22 - HG3 LYS 19 far 0 97 0 - 9.1-10.5 HA LEU 22 - HG2 LYS 26 far 0 100 0 - 9.1-14.4 HA ALA 28 - HG3 LYS 24 far 0 42 0 - 9.2-16.3 HA SER 74 - HG3 LYS 24 far 0 49 0 - 9.4-24.1 Violated in 0 structures by 0.00 A. Peak 628 from aliabs.peaks (1.75, 1.43, 24.54 ppm; 3.47 A): 3 out of 16 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 2.7-2.8 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 poor 20 100 20 - 2.4-11.6 HB2 ARG 23 - HG3 LYS 24 far 0 65 0 - 4.8-8.2 HG3 ARG 90 - HG3 LYS 19 far 0 94 0 - 5.3-36.6 HB2 ARG 23 - HG3 LYS 19 far 0 95 0 - 5.8-11.0 HB2 ARG 23 - HG2 LYS 26 far 0 99 0 - 6.1-13.4 HB2 LYS 19 - HG3 LYS 24 far 0 68 0 - 6.1-14.5 HB2 LYS 24 - HG3 LYS 19 far 0 97 0 - 6.3-15.3 HB2 LYS 31 - HG3 LYS 19 far 0 97 0 - 6.6-22.5 HB2 LYS 24 - HG2 LYS 26 far 0 100 0 - 7.3-9.8 HB2 LYS 31 - HG3 LYS 24 far 0 68 0 - 7.4-19.6 HB ILE 80 - HG3 LYS 19 far 0 93 0 - 8.2-35.9 HB2 LYS 26 - HG3 LYS 19 far 0 97 0 - 9.5-17.7 HB2 LYS 26 - HG3 LYS 24 far 0 68 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 629 from aliabs.peaks (1.81, 1.43, 24.54 ppm; 3.33 A): 3 out of 21 assignments used, quality = 1.00: * HB3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 19 + HG3 LYS 19 OK 94 94 100 100 2.2-2.2 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 68 68 100 100 2.4-2.7 2.9=100 HB3 LYS 31 - HG2 LYS 26 far 10 100 10 - 3.5-12.8 HB3 ARG 23 - HG3 LYS 24 far 0 67 0 - 4.3-7.9 HB3 ARG 23 - HG2 LYS 26 far 0 100 0 - 4.5-13.3 HB ILE 32 - HG2 LYS 26 far 0 100 0 - 5.1-7.5 HB3 LYS 19 - HG3 LYS 24 far 0 65 0 - 5.6-13.8 HB3 LYS 31 - HG3 LYS 19 far 0 97 0 - 6.3-24.1 HB3 ARG 23 - HG3 LYS 19 far 0 97 0 - 7.1-11.4 HB3 LYS 24 - HG2 LYS 26 far 0 100 0 - 7.5-10.2 HB2 LYS 86 - HG3 LYS 19 far 0 75 0 - 7.6-37.3 HB3 LYS 24 - HG3 LYS 19 far 0 97 0 - 7.9-15.5 HB2 CYS 79 - HG3 LYS 24 far 0 57 0 - 8.1-24.5 HB2 LYS 36 - HG2 LYS 26 far 0 100 0 - 8.3-12.6 HB2 CYS 79 - HG3 LYS 19 far 0 86 0 - 8.4-32.1 HB VAL 93 - HG3 LYS 19 far 0 89 0 - 8.6-39.5 HB3 LYS 31 - HG3 LYS 24 far 0 67 0 - 8.8-21.0 HB2 CYS 79 - HG2 LYS 26 far 0 92 0 - 9.3-16.4 HB3 LYS 19 - HG2 LYS 26 far 0 99 0 - 9.5-18.7 HB3 LYS 26 - HG3 LYS 19 far 0 97 0 - 9.9-18.0 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 19 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 29 - HG2 LYS 26 far 5 100 5 - 3.0-8.2 QB ALA 15 - HG3 LYS 19 far 0 97 0 - 3.8-11.7 HG3 LYS 31 - HG2 LYS 26 far 0 100 0 - 4.7-13.7 QB ALA 16 - HG3 LYS 19 far 0 93 0 - 4.9-8.8 QB ALA 28 - HG2 LYS 26 far 0 100 0 - 5.0-8.7 HG3 LYS 31 - HG3 LYS 19 far 0 96 0 - 5.7-24.8 QB ALA 12 - HG3 LYS 19 far 0 72 0 - 6.3-19.8 QB ALA 28 - HG3 LYS 24 far 0 67 0 - 6.3-14.2 HG2 LYS 19 - HG3 LYS 24 far 0 62 0 - 7.6-13.9 HG3 LYS 31 - HG3 LYS 24 far 0 67 0 - 7.7-21.4 HG2 LYS 24 - HG3 LYS 19 far 0 96 0 - 8.0-13.2 HG3 LYS 26 - HG3 LYS 19 far 0 97 0 - 8.4-18.3 HG2 LYS 24 - HG2 LYS 26 far 0 100 0 - 9.0-11.7 HG3 LYS 26 - HG3 LYS 24 far 0 68 0 - 9.1-10.6 QB ALA 15 - HG2 LYS 26 far 0 100 0 - 9.1-21.9 QB ALA 29 - HG3 LYS 24 far 0 67 0 - 9.9-16.2 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 23 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 2.2-3.0 2.9=100 HD2 LYS 19 + HG3 LYS 19 OK 94 94 100 100 2.9-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 92 92 100 100 2.3-2.8 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 2.3-3.0 3.0=100 HD3 LYS 31 - HG3 LYS 19 far 5 97 5 - 3.5-23.9 HD2 LYS 31 - HG3 LYS 19 far 0 96 0 - 4.2-23.7 HD3 LYS 31 - HG2 LYS 26 far 0 100 0 - 5.1-14.0 HD2 LYS 31 - HG2 LYS 26 far 0 100 0 - 5.2-13.9 HD2 LYS 86 - HG3 LYS 19 far 0 97 0 - 6.6-34.0 HD3 LYS 86 - HG3 LYS 19 far 0 96 0 - 7.2-35.0 HD3 LYS 24 - HG3 LYS 19 far 0 96 0 - 7.6-15.9 HD2 LYS 19 - HG3 LYS 24 far 0 64 0 - 8.0-16.0 HD3 LYS 24 - HG2 LYS 26 far 0 99 0 - 8.3-12.6 HD2 LYS 24 - HG3 LYS 19 far 0 97 0 - 8.4-15.6 HD3 LYS 26 - HG3 LYS 19 far 0 97 0 - 9.0-20.4 HD2 LYS 36 - HG2 LYS 26 far 0 100 0 - 9.2-12.8 HD3 LYS 19 - HG3 LYS 24 far 0 62 0 - 9.2-16.2 HD2 LYS 24 - HG2 LYS 26 far 0 100 0 - 9.4-13.2 HD2 LYS 26 - HG3 LYS 19 far 0 97 0 - 9.5-19.8 HD2 LYS 86 - HG3 LYS 24 far 0 67 0 - 9.7-25.0 HD3 LYS 31 - HG3 LYS 24 far 0 68 0 - 9.8-22.2 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 23 assignments used, quality = 1.00: * HD3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-3.0 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 2.9-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 88 88 100 100 2.3-2.8 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 2.3-3.0 3.0=100 HD3 LYS 31 - HG3 LYS 19 far 5 96 5 - 3.5-23.9 HD2 LYS 31 - HG3 LYS 19 far 0 95 0 - 4.2-23.7 HD3 LYS 31 - HG2 LYS 26 far 0 100 0 - 5.1-14.0 HD2 LYS 31 - HG2 LYS 26 far 0 99 0 - 5.2-13.9 HD2 LYS 86 - HG3 LYS 19 far 0 96 0 - 6.6-34.0 HD3 LYS 86 - HG3 LYS 19 far 0 94 0 - 7.2-35.0 HD3 LYS 24 - HG3 LYS 19 far 0 94 0 - 7.6-15.9 HD2 LYS 19 - HG3 LYS 24 far 0 61 0 - 8.0-16.0 HD3 LYS 24 - HG2 LYS 26 far 0 98 0 - 8.3-12.6 HD2 LYS 24 - HG3 LYS 19 far 0 97 0 - 8.4-15.6 HD3 LYS 26 - HG3 LYS 19 far 0 97 0 - 9.0-20.4 HD2 LYS 36 - HG2 LYS 26 far 0 100 0 - 9.2-12.8 HD3 LYS 19 - HG3 LYS 24 far 0 58 0 - 9.2-16.2 HD2 LYS 24 - HG2 LYS 26 far 0 100 0 - 9.4-13.2 HD2 LYS 26 - HG3 LYS 19 far 0 97 0 - 9.5-19.8 HD2 LYS 86 - HG3 LYS 24 far 0 66 0 - 9.7-25.0 HD3 LYS 31 - HG3 LYS 24 far 0 67 0 - 9.8-22.2 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 21 assignments used, quality = 1.00: * HE2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.7-4.1 3.6=100 HE3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-3.8 3.6=100 HE2 LYS 19 + HG3 LYS 19 OK 97 97 100 100 2.1-3.9 3.8=100 HE3 LYS 19 + HG3 LYS 19 OK 97 97 100 100 2.2-3.7 3.8=100 HE2 LYS 24 + HG3 LYS 24 OK 66 66 100 100 2.3-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 61 61 100 100 2.3-3.9 4.0=100 HE3 LYS 31 - HG3 LYS 19 far 5 96 5 - 4.4-25.7 HE2 LYS 31 - HG3 LYS 19 far 0 97 0 - 5.6-26.1 HE3 LYS 86 - HG3 LYS 19 far 0 96 0 - 5.8-35.8 HE2 LYS 31 - HG2 LYS 26 far 0 100 0 - 6.6-15.6 HE3 LYS 31 - HG2 LYS 26 far 0 99 0 - 7.0-15.5 HE3 LYS 24 - HG3 LYS 19 far 0 90 0 - 7.0-15.8 HE3 LYS 26 - HG3 LYS 19 far 0 97 0 - 7.3-20.0 HE2 LYS 26 - HG3 LYS 19 far 0 97 0 - 7.6-21.0 HE2 LYS 24 - HG3 LYS 19 far 0 96 0 - 8.4-15.9 HE3 LYS 19 - HG3 LYS 24 far 0 67 0 - 8.6-17.0 HE2 LYS 19 - HG3 LYS 24 far 0 67 0 - 9.3-16.7 HE3 LYS 26 - HG3 LYS 24 far 0 67 0 - 9.3-11.4 HE2 LYS 26 - HG3 LYS 24 far 0 68 0 - 9.7-13.1 HE3 LYS 86 - HG3 LYS 24 far 0 67 0 - 9.8-26.1 HE3 LYS 36 - HG2 LYS 26 far 0 100 0 - 9.8-14.5 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 21 assignments used, quality = 1.00: * HE3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-3.8 3.6=100 HE2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.7-4.1 3.6=100 HE2 LYS 19 + HG3 LYS 19 OK 96 96 100 100 2.1-3.9 3.8=100 HE3 LYS 19 + HG3 LYS 19 OK 96 96 100 100 2.2-3.7 3.8=100 HE2 LYS 24 + HG3 LYS 24 OK 64 64 100 100 2.3-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 57 57 100 100 2.3-3.9 4.0=100 HE3 LYS 31 - HG3 LYS 19 far 5 94 5 - 4.4-25.7 HE2 LYS 31 - HG3 LYS 19 far 0 97 0 - 5.6-26.1 HE3 LYS 86 - HG3 LYS 19 far 0 95 0 - 5.8-35.8 HE2 LYS 31 - HG2 LYS 26 far 0 100 0 - 6.6-15.6 HE3 LYS 31 - HG2 LYS 26 far 0 98 0 - 7.0-15.5 HE3 LYS 24 - HG3 LYS 19 far 0 86 0 - 7.0-15.8 HE3 LYS 26 - HG3 LYS 19 far 0 97 0 - 7.3-20.0 HE2 LYS 26 - HG3 LYS 19 far 0 97 0 - 7.6-21.0 HE2 LYS 24 - HG3 LYS 19 far 0 94 0 - 8.4-15.9 HE3 LYS 19 - HG3 LYS 24 far 0 66 0 - 8.6-17.0 HE2 LYS 19 - HG3 LYS 24 far 0 66 0 - 9.3-16.7 HE3 LYS 26 - HG3 LYS 24 far 0 68 0 - 9.3-11.4 HE2 LYS 26 - HG3 LYS 24 far 0 67 0 - 9.7-13.1 HE3 LYS 86 - HG3 LYS 24 far 0 65 0 - 9.8-26.1 HE3 LYS 36 - HG2 LYS 26 far 0 100 0 - 9.8-14.5 Violated in 0 structures by 0.00 A. Peak 638 from aliabs.peaks (4.27, 1.38, 24.54 ppm; 3.90 A): 7 out of 47 assignments used, quality = 1.00: * HA LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.6-3.7 4.0=89, 2.9/6253=65...(31) HA LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.2-3.7 3.8=100 HA LYS 19 + HG2 LYS 19 OK 89 89 100 100 3.5-3.6 4.2=83, 3.0/6151=59...(39) HA THR 25 + HG3 LYS 26 OK 74 78 100 94 3.1-4.0 11150=68, 3.6/6253=56...(10) HA LYS 36 + HG2 LYS 36 OK 49 49 100 100 3.1-3.3 4.1=84, 3.0/6394=59...(29) HA LEU 22 + HG2 LYS 24 OK 41 97 60 69 2.7-6.3 374/10703=24...(13) HA ARG 23 + HG2 LYS 24 OK 22 94 30 79 4.1-5.3 424/6222=64, 2.9/832=15...(8) HA ARG 23 - HG3 LYS 31 far 5 96 5 - 3.3-17.9 HA ALA 16 - HG2 LYS 19 far 4 86 5 - 3.4-8.5 HA GLN 27 - HG3 LYS 26 far 4 81 5 - 4.4-6.6 HA ALA 21 - HG2 LYS 24 far 3 61 5 - 3.3-8.9 HA THR 18 - HG2 LYS 19 far 0 81 0 - 4.7-5.2 HA LYS 19 - HG2 LYS 24 far 0 97 0 - 4.8-11.2 HA LYS 19 - HG3 LYS 31 far 0 99 0 - 4.8-25.5 HA ALA 28 - HG3 LYS 26 far 0 73 0 - 5.4-8.4 HA ALA 15 - HG2 LYS 19 far 0 83 0 - 5.5-11.6 HA LEU 22 - HG3 LYS 31 far 0 99 0 - 6.0-22.9 HA ALA 21 - HG3 LYS 31 far 0 63 0 - 6.0-24.0 HA ALA 21 - HG2 LYS 19 far 0 53 0 - 6.3-6.9 HA THR 25 - HG2 LYS 24 far 0 73 0 - 6.3-6.5 HA LYS 31 - HG3 LYS 26 far 0 100 0 - 6.6-12.4 HA SER 74 - HG2 LYS 19 far 0 68 0 - 6.7-33.1 HA LYS 26 - HG3 LYS 31 far 0 99 0 - 6.8-12.7 HA ARG 23 - HG2 LYS 19 far 0 84 0 - 6.8-10.5 HA ARG 23 - HG3 LYS 26 far 0 97 0 - 6.9-9.9 HA ALA 12 - HG3 LYS 31 far 0 86 0 - 6.9-38.6 HA LYS 31 - HG2 LYS 19 far 0 89 0 - 6.9-25.0 HA ALA 12 - HG2 LYS 19 far 0 74 0 - 7.0-21.6 HA LEU 22 - HG3 LYS 26 far 0 100 0 - 7.5-13.1 HA THR 18 - HG2 LYS 24 far 0 90 0 - 7.5-12.7 HA THR 18 - HG3 LYS 31 far 0 92 0 - 7.6-27.1 HA LYS 36 - HG3 LYS 26 far 0 90 0 - 7.8-13.9 HA LEU 22 - HG2 LYS 19 far 0 89 0 - 7.9-9.4 HA LYS 26 - HG2 LYS 24 far 0 98 0 - 8.0-9.2 HA GLN 27 - HG2 LYS 19 far 0 66 0 - 8.7-19.9 HA THR 25 - HG2 LYS 19 far 0 64 0 - 8.7-15.3 HA PHE 87 - HG2 LYS 19 far 0 89 0 - 8.7-38.9 HA ALA 21 - HG3 LYS 26 far 0 65 0 - 8.9-15.7 HA GLN 27 - HG3 LYS 31 far 0 78 0 - 8.9-12.5 HA LYS 26 - HG2 LYS 19 far 0 90 0 - 8.9-15.8 HA ALA 28 - HG2 LYS 24 far 0 69 0 - 9.0-15.1 HA THR 25 - HG3 LYS 31 far 0 76 0 - 9.2-16.6 HA THR 18 - HG3 LYS 26 far 0 95 0 - 9.4-18.6 HA ALA 16 - HG3 LYS 31 far 0 97 0 - 9.4-28.3 HA LYS 31 - HG2 LYS 24 far 0 98 0 - 9.5-19.9 HA LYS 19 - HG3 LYS 26 far 0 100 0 - 9.9-17.8 HA GLN 27 - HG2 LYS 24 far 0 76 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 639 from aliabs.peaks (1.75, 1.38, 24.54 ppm; 3.68 A): 4 out of 21 assignments used, quality = 1.00: * HB2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.3-3.0 3.0=100 HB2 LYS 24 + HG2 LYS 24 OK 98 98 100 100 2.3-3.0 2.9=100 HB2 LYS 19 + HG2 LYS 19 OK 89 89 100 100 2.9-2.9 3.0=100 HB2 LYS 31 - HG3 LYS 26 far 10 100 10 - 4.0-11.8 HB2 ARG 23 - HG3 LYS 31 far 5 98 5 - 3.4-19.1 HB2 ARG 23 - HG2 LYS 24 far 0 96 0 - 4.9-6.7 HB2 LYS 26 - HG3 LYS 31 far 0 99 0 - 5.1-12.9 HB2 ARG 23 - HG2 LYS 19 far 0 87 0 - 5.8-10.2 HB2 LYS 19 - HG3 LYS 31 far 0 99 0 - 6.0-26.3 HB2 LYS 24 - HG2 LYS 19 far 0 89 0 - 6.4-14.3 HG3 ARG 90 - HG2 LYS 19 far 0 86 0 - 6.6-35.6 HB2 LYS 31 - HG2 LYS 24 far 0 98 0 - 6.6-18.9 HB2 LYS 19 - HG2 LYS 24 far 0 98 0 - 6.7-13.0 HB2 ARG 23 - HG3 LYS 26 far 0 99 0 - 6.8-11.8 HB2 LYS 24 - HG3 LYS 26 far 0 100 0 - 7.1-8.9 HB2 LYS 31 - HG2 LYS 19 far 0 89 0 - 7.6-22.5 HB2 LYS 24 - HG3 LYS 31 far 0 99 0 - 7.7-20.6 HB2 LYS 26 - HG2 LYS 24 far 0 98 0 - 9.2-11.0 HB2 LYS 19 - HG3 LYS 26 far 0 100 0 - 9.3-19.3 HB ILE 80 - HG2 LYS 19 far 0 84 0 - 9.7-35.2 Violated in 0 structures by 0.00 A. Peak 640 from aliabs.peaks (1.81, 1.38, 24.54 ppm; 3.40 A): 5 out of 30 assignments used, quality = 1.00: * HB3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.5-3.0 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 2.4-3.0 2.9=100 HB3 LYS 19 + HG2 LYS 19 OK 86 86 100 100 2.7-2.8 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.7-2.9 3.0=100 HB3 LYS 19 - HG3 LYS 31 far 0 97 0 - 4.5-24.5 HB3 ARG 23 - HG2 LYS 24 far 0 97 0 - 4.5-6.6 HB3 ARG 23 - HG3 LYS 31 far 0 99 0 - 5.0-20.1 HB3 LYS 26 - HG3 LYS 31 far 0 99 0 - 5.1-11.5 HB3 LYS 31 - HG3 LYS 26 far 0 100 0 - 5.2-13.1 HB3 ARG 23 - HG3 LYS 26 far 0 100 0 - 5.2-11.9 HB ILE 32 - HG3 LYS 26 far 0 100 0 - 5.4-7.7 HB3 LYS 19 - HG2 LYS 24 far 0 95 0 - 5.9-12.2 HB ILE 32 - HG3 LYS 31 far 0 99 0 - 6.3-8.2 HB3 LYS 31 - HG2 LYS 19 far 0 89 0 - 6.7-24.1 HB3 ARG 23 - HG2 LYS 19 far 0 89 0 - 7.0-10.5 HB2 LYS 36 - HG3 LYS 31 far 0 99 0 - 7.5-12.4 HB3 LYS 24 - HG3 LYS 26 far 0 100 0 - 7.5-8.6 HB ILE 32 - HG2 LYS 36 far 0 59 0 - 7.6-8.8 HB3 LYS 31 - HG2 LYS 24 far 0 97 0 - 7.8-20.3 HB3 LYS 19 - HG3 LYS 26 far 0 99 0 - 7.9-18.0 HB3 LYS 24 - HG2 LYS 19 far 0 89 0 - 8.1-14.8 HB2 LYS 36 - HG3 LYS 26 far 0 100 0 - 8.6-13.7 HB2 LYS 86 - HG2 LYS 19 far 0 66 0 - 8.6-36.4 HB2 CYS 79 - HG2 LYS 36 far 0 50 0 - 8.7-10.3 HB3 LYS 24 - HG3 LYS 31 far 0 99 0 - 8.9-20.1 HB2 CYS 79 - HG2 LYS 19 far 0 78 0 - 9.5-31.5 HB2 CYS 79 - HG3 LYS 26 far 0 92 0 - 9.7-15.8 HB2 CYS 79 - HG2 LYS 24 far 0 87 0 - 9.7-23.7 HB VAL 93 - HG2 LYS 19 far 0 81 0 - 9.8-38.5 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 26 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 QB ALA 34 - HG3 LYS 26 far 0 90 0 - 4.6-8.5 HG2 LYS 26 - HG3 LYS 31 far 0 99 0 - 4.7-13.7 HG13 ILE 32 - HG3 LYS 26 far 0 100 0 - 4.7-7.3 HG3 LYS 19 - HG3 LYS 31 far 0 98 0 - 5.7-24.8 HG2 LYS 31 - HG3 LYS 26 far 0 68 0 - 5.9-14.2 HG2 LYS 31 - HG2 LYS 19 far 0 55 0 - 6.2-23.2 QB ALA 34 - HG2 LYS 36 far 0 49 0 - 6.3-6.8 HG13 ILE 32 - HG3 LYS 31 far 0 99 0 - 6.4-7.6 HG2 LYS 31 - HG2 LYS 24 far 0 64 0 - 7.5-21.3 HG3 LYS 24 - HG2 LYS 19 far 0 74 0 - 7.6-13.9 HG3 LYS 24 - HG3 LYS 31 far 0 86 0 - 7.7-21.4 HG3 LYS 19 - HG2 LYS 24 far 0 96 0 - 8.0-13.2 QB ALA 34 - HG3 LYS 31 far 0 88 0 - 8.0-10.4 HG3 LYS 19 - HG3 LYS 26 far 0 99 0 - 8.4-18.3 QB ALA 34 - HG2 LYS 24 far 0 86 0 - 8.5-15.1 HG3 LYS 36 - HG3 LYS 31 far 0 61 0 - 8.7-13.1 HG2 LYS 86 - HG2 LYS 19 far 0 74 0 - 8.9-35.3 QB ALA 34 - HG2 LYS 19 far 0 76 0 - 8.9-21.8 HG2 LYS 26 - HG2 LYS 24 far 0 98 0 - 9.0-11.7 HG3 LYS 24 - HG3 LYS 26 far 0 89 0 - 9.1-10.6 HG13 ILE 32 - HG2 LYS 36 far 0 60 0 - 9.9-10.8 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 37 assignments used, quality = 1.00: * HD2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.6-3.0 2.9=100 HD3 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.2-3.0 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 2.4-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 85 85 100 100 2.2-2.7 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 83 83 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.2-2.3 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.7-2.9 3.0=100 HD3 LYS 31 - HG2 LYS 19 far 4 89 5 - 3.6-23.8 HD3 LYS 26 - HG3 LYS 31 far 0 99 0 - 4.1-12.0 HD2 LYS 31 - HG2 LYS 19 far 0 89 0 - 4.9-23.9 HD2 LYS 26 - HG3 LYS 31 far 0 99 0 - 5.4-12.2 HD2 LYS 36 - HG3 LYS 31 far 0 99 0 - 6.6-10.5 HD3 LYS 31 - HG3 LYS 26 far 0 100 0 - 6.8-14.4 HD2 LYS 31 - HG3 LYS 26 far 0 100 0 - 6.9-14.3 HD2 LYS 19 - HG3 LYS 31 far 0 96 0 - 7.5-27.4 HD3 LYS 24 - HG2 LYS 19 far 0 88 0 - 7.5-14.7 HD3 LYS 19 - HG3 LYS 31 far 0 95 0 - 7.7-26.9 HD2 LYS 86 - HG2 LYS 19 far 0 89 0 - 7.8-33.2 HD3 LYS 36 - HG3 LYS 31 far 0 99 0 - 7.9-11.7 HD3 LYS 86 - HG2 LYS 19 far 0 88 0 - 8.2-34.2 HD2 LYS 24 - HG2 LYS 19 far 0 89 0 - 8.4-14.5 HD2 LYS 19 - HG2 LYS 24 far 0 94 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 60 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 60 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 99 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 98 0 - 9.0-21.0 HD2 LYS 36 - HG3 LYS 26 far 0 100 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 97 0 - 9.3-12.6 HD2 LYS 24 - HG3 LYS 31 far 0 99 0 - 9.3-22.5 HD2 LYS 31 - HG2 LYS 24 far 0 97 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 93 0 - 9.5-14.5 HD3 LYS 24 - HG3 LYS 31 far 0 98 0 - 9.8-21.7 HD3 LYS 26 - HG2 LYS 19 far 0 89 0 - 9.8-19.7 HD2 LYS 24 - HG3 LYS 26 far 0 100 0 - 9.8-11.8 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 37 assignments used, quality = 1.00: * HD3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.6-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 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 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 2.4-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 82 82 100 100 2.2-2.7 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 79 79 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.7-2.9 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.2-2.3 3.0=100 HD3 LYS 31 - HG2 LYS 19 far 4 89 5 - 3.6-23.8 HD3 LYS 26 - HG3 LYS 31 far 0 99 0 - 4.1-12.0 HD2 LYS 31 - HG2 LYS 19 far 0 87 0 - 4.9-23.9 HD2 LYS 26 - HG3 LYS 31 far 0 99 0 - 5.4-12.2 HD2 LYS 36 - HG3 LYS 31 far 0 99 0 - 6.6-10.5 HD3 LYS 31 - HG3 LYS 26 far 0 100 0 - 6.8-14.4 HD2 LYS 31 - HG3 LYS 26 far 0 99 0 - 6.9-14.3 HD2 LYS 19 - HG3 LYS 31 far 0 94 0 - 7.5-27.4 HD3 LYS 24 - HG2 LYS 19 far 0 85 0 - 7.5-14.7 HD3 LYS 19 - HG3 LYS 31 far 0 91 0 - 7.7-26.9 HD2 LYS 86 - HG2 LYS 19 far 0 88 0 - 7.8-33.2 HD3 LYS 36 - HG3 LYS 31 far 0 99 0 - 7.9-11.7 HD3 LYS 86 - HG2 LYS 19 far 0 85 0 - 8.2-34.2 HD2 LYS 24 - HG2 LYS 19 far 0 89 0 - 8.4-14.5 HD2 LYS 19 - HG2 LYS 24 far 0 91 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 60 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 60 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 98 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 97 0 - 9.0-21.0 HD2 LYS 36 - HG3 LYS 26 far 0 100 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 98 0 - 9.3-12.6 HD2 LYS 24 - HG3 LYS 31 far 0 99 0 - 9.3-22.5 HD2 LYS 31 - HG2 LYS 24 far 0 96 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 89 0 - 9.5-14.5 HD3 LYS 24 - HG3 LYS 31 far 0 96 0 - 9.8-21.7 HD3 LYS 26 - HG2 LYS 19 far 0 90 0 - 9.8-19.7 HD2 LYS 24 - HG3 LYS 26 far 0 100 0 - 9.8-11.8 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 41 assignments used, quality = 1.00: * HE2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.3-3.8 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.0-3.4 3.6=100 HE2 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.1-4.2 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 98 98 100 100 2.0-4.0 3.7=100 HE2 LYS 24 + HG2 LYS 24 OK 96 96 100 100 2.1-4.1 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 91 91 100 100 2.0-4.2 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 89 89 100 100 2.1-4.1 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 89 89 100 100 2.8-3.7 3.8=100 HE3 LYS 36 + HG2 LYS 36 OK 60 60 100 100 3.1-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 60 60 100 100 3.1-4.1 4.0=100 HE3 LYS 31 - HG2 LYS 19 far 4 88 5 - 4.6-26.0 HE2 LYS 26 - HG3 LYS 31 far 0 99 0 - 6.1-13.8 HE2 LYS 31 - HG2 LYS 19 far 0 90 0 - 6.1-26.2 HE3 LYS 26 - HG3 LYS 31 far 0 99 0 - 6.1-14.7 HE3 LYS 36 - HG3 LYS 31 far 0 99 0 - 6.3-11.5 HE3 LYS 24 - HG2 LYS 19 far 0 82 0 - 6.5-14.6 HE2 LYS 36 - HG3 LYS 31 far 0 99 0 - 6.5-12.0 HE3 LYS 86 - HG2 LYS 19 far 0 89 0 - 6.8-34.9 HE2 LYS 26 - HG2 LYS 36 far 0 60 0 - 7.3-12.6 HE3 LYS 19 - HG3 LYS 31 far 0 99 0 - 7.7-28.1 HE2 LYS 24 - HG2 LYS 19 far 0 88 0 - 8.0-15.1 HE2 LYS 24 - HG3 LYS 31 far 0 98 0 - 8.1-23.8 HE2 LYS 31 - HG3 LYS 26 far 0 100 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 99 0 - 8.6-15.9 HE2 LYS 19 - HG3 LYS 31 far 0 99 0 - 8.6-26.5 HE3 LYS 26 - HG2 LYS 24 far 0 97 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 19 far 0 89 0 - 8.8-19.2 HE3 LYS 26 - HG2 LYS 36 far 0 60 0 - 8.9-13.8 HE2 LYS 26 - HG2 LYS 19 far 0 90 0 - 9.0-20.5 HE2 LYS 19 - HG3 LYS 26 far 0 100 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 97 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 37 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 60 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 98 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 97 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 100 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 100 0 - 9.8-15.3 HE3 LYS 24 - HG3 LYS 31 far 0 94 0 - 9.8-23.3 HE2 LYS 26 - HG2 LYS 24 far 0 98 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 99 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 96 0 - 10.0-22.2 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 41 assignments used, quality = 1.00: * HE3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.0-3.4 3.6=100 HE2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.3-3.8 3.6=100 HE2 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.1-4.2 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 96 96 100 100 2.0-4.0 3.7=100 HE2 LYS 24 + HG2 LYS 24 OK 94 94 100 100 2.1-4.1 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 88 88 100 100 2.1-4.1 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 88 88 100 100 2.8-3.7 3.8=100 HE3 LYS 24 + HG2 LYS 24 OK 87 87 100 100 2.0-4.2 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 60 60 100 100 3.1-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 60 60 100 100 3.1-4.1 4.0=100 HE3 LYS 31 - HG2 LYS 19 far 4 85 5 - 4.6-26.0 HE2 LYS 26 - HG3 LYS 31 far 0 99 0 - 6.1-13.8 HE2 LYS 31 - HG2 LYS 19 far 0 89 0 - 6.1-26.2 HE3 LYS 26 - HG3 LYS 31 far 0 99 0 - 6.1-14.7 HE3 LYS 36 - HG3 LYS 31 far 0 99 0 - 6.3-11.5 HE3 LYS 24 - HG2 LYS 19 far 0 78 0 - 6.5-14.6 HE2 LYS 36 - HG3 LYS 31 far 0 99 0 - 6.5-12.0 HE3 LYS 86 - HG2 LYS 19 far 0 87 0 - 6.8-34.9 HE2 LYS 26 - HG2 LYS 36 far 0 60 0 - 7.3-12.6 HE3 LYS 19 - HG3 LYS 31 far 0 98 0 - 7.7-28.1 HE2 LYS 24 - HG2 LYS 19 far 0 85 0 - 8.0-15.1 HE2 LYS 24 - HG3 LYS 31 far 0 96 0 - 8.1-23.8 HE2 LYS 31 - HG3 LYS 26 far 0 100 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 98 0 - 8.6-15.9 HE2 LYS 19 - HG3 LYS 31 far 0 98 0 - 8.6-26.5 HE3 LYS 26 - HG2 LYS 24 far 0 98 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 19 far 0 90 0 - 8.8-19.2 HE3 LYS 26 - HG2 LYS 36 far 0 60 0 - 8.9-13.8 HE2 LYS 26 - HG2 LYS 19 far 0 89 0 - 9.0-20.5 HE2 LYS 19 - HG3 LYS 26 far 0 99 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 96 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 32 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 60 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 97 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 96 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 99 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 100 0 - 9.8-15.3 HE3 LYS 24 - HG3 LYS 31 far 0 90 0 - 9.8-23.3 HE2 LYS 26 - HG2 LYS 24 far 0 97 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 98 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 94 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 649 from aliabs.peaks (4.27, 1.66, 28.90 ppm; 6.80 A): 22 out of 91 assignments used, quality = 1.00: * HA LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.0-5.1 5.0=100 HA LYS 31 + HD3 LYS 31 OK 100 100 100 100 1.9-4.8 5.2=100 HA LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.0-5.3 5.0=100 HA LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.0-4.7 5.2=100 HA LYS 36 + HD3 LYS 36 OK 82 82 100 100 4.9-5.2 5.3=100 HA LYS 36 + HD2 LYS 36 OK 82 82 100 100 4.6-4.6 5.3=100 HA LEU 22 + HD2 LYS 24 OK 78 95 95 86 3.2-9.0 ~1309=29, 11967/3.0=28...(11) HA THR 25 + HD2 LYS 26 OK 78 78 100 99 4.9-6.7 11150/2.9=68, 582/5.7=63...(10) HA LYS 19 + HD2 LYS 19 OK 77 77 100 100 3.5-4.4 5.2=100 HA THR 25 + HD3 LYS 26 OK 76 77 100 99 5.2-6.8 11150/2.9=68, 582/5.7=63...(10) HA GLN 27 + HD2 LYS 26 OK 76 81 95 100 3.5-7.5 3.0/6266=47, ~6264=46...(21) HA GLN 27 + HD3 LYS 26 OK 75 80 95 99 3.1-7.9 3.0/6267=47, ~6264=46...(21) HA ARG 23 + HD3 LYS 24 OK 75 87 90 96 4.0-7.6 424/5.9=83, ~832=28...(17) HA LEU 22 + HD3 LYS 24 OK 74 91 95 86 3.7-8.5 ~1309=29, 11967/3.0=28...(11) HA LYS 19 + HD3 LYS 19 OK 72 72 100 100 3.8-5.0 5.2=100 HA ARG 23 + HD2 LYS 24 OK 70 90 80 96 5.0-7.8 424/5.9=83, ~832=28...(20) HA THR 18 + HD2 LYS 19 OK 68 68 100 100 5.0-5.5 3.2/10696=87...(15) HA THR 25 + HD3 LYS 24 OK 66 66 100 100 5.8-7.0 ~6234=78, ~522=70...(10) HA THR 18 + HD3 LYS 19 OK 64 64 100 100 5.6-7.0 ~10696=86, ~10692=83...(15) HA ALA 28 + HD2 LYS 26 OK 46 73 85 74 4.2-7.8 3.0/10771=41, ~10771=32...(12) HA ALA 28 + HD3 LYS 26 OK 42 72 80 73 3.9-9.2 3.0/10771=35, ~10771=34...(11) HA THR 25 + HD2 LYS 24 OK 35 70 50 100 6.5-8.0 ~6234=78, ~522=70...(10) HA ALA 15 - HD3 LYS 19 poor 20 66 30 - 6.2-11.9 HA ALA 21 - HD3 LYS 24 poor 19 55 35 - 5.0-11.3 HA ALA 15 - HD2 LYS 19 poor 14 71 20 - 5.7-11.6 HA LYS 31 - HD3 LYS 26 poor 10 100 25 42 4.0-10.4 6342/6348=17...(9) HA LYS 31 - HD2 LYS 26 poor 10 100 25 40 5.1-10.1 6342/6348=18...(7) HA ARG 23 - HD3 LYS 26 far 10 97 10 - 6.4-12.1 HA LYS 19 - HD2 LYS 24 far 9 95 10 - 6.5-12.9 HA LYS 19 - HD3 LYS 24 far 9 91 10 - 6.6-13.2 HA LYS 36 - HD2 LYS 26 far 9 90 10 - 5.9-11.4 HA ALA 16 - HD2 LYS 19 lone 8 74 85 12 4.1-8.2 7131/6.2=3, 3.6/292=2 HA ALA 16 - HD3 LYS 19 lone 6 69 65 12 4.7-9.2 7131/6.2=3, 3.6/292=2 HA LYS 19 - HD3 LYS 31 far 5 100 5 - 4.2-24.3 HA LYS 19 - HD2 LYS 31 far 5 99 5 - 5.1-24.1 HA LYS 26 - HD2 LYS 31 far 5 99 5 - 6.5-14.6 HA ALA 16 - HD3 LYS 31 far 5 99 5 - 7.0-28.5 HA ARG 23 - HD3 LYS 31 far 5 97 5 - 5.4-17.9 HA ALA 16 - HD2 LYS 31 far 5 97 5 - 7.3-28.5 HA ARG 23 - HD2 LYS 31 far 5 96 5 - 5.5-19.1 HA THR 18 - HD3 LYS 31 far 5 94 5 - 7.1-26.4 HA LYS 26 - HD3 LYS 24 far 5 92 5 - 6.8-10.5 HA LYS 36 - HD3 LYS 26 far 4 89 5 - 6.0-12.7 HA ALA 12 - HD3 LYS 95 far 4 87 5 - 7.1-39.3 HA ALA 12 - HD2 LYS 95 far 4 84 5 - 6.9-40.4 HA ALA 21 - HD3 LYS 31 far 3 65 5 - 6.6-23.8 HA ALA 12 - HD3 LYS 19 far 3 58 5 - 6.5-20.5 HA SER 74 - HD2 LYS 19 far 3 57 5 - 6.2-35.4 HA SER 74 - HD3 LYS 19 far 3 53 5 - 4.6-35.1 HA ALA 21 - HD2 LYS 24 lone 1 58 40 4 5.2-10.9 HA LYS 31 - HD2 LYS 36 far 0 94 0 - 7.5-8.1 HA ALA 12 - HD2 LYS 19 far 0 62 0 - 7.6-20.3 HA SER 74 - HD3 LYS 24 far 0 71 0 - 7.6-23.3 HA ALA 21 - HD3 LYS 19 far 0 40 0 - 7.7-9.8 HA ALA 12 - HD2 LYS 31 far 0 87 0 - 7.7-38.2 HA LEU 22 - HD3 LYS 31 far 0 100 0 - 7.8-22.1 HA LYS 26 - HD3 LYS 31 far 0 100 0 - 7.8-13.5 HA LYS 26 - HD2 LYS 24 far 0 95 0 - 7.8-10.9 HA ALA 21 - HD2 LYS 19 far 0 43 0 - 7.8-8.6 HA ARG 23 - HD2 LYS 26 far 0 97 0 - 7.9-11.1 HA ALA 21 - HD2 LYS 31 far 0 64 0 - 8.2-24.8 HA LYS 31 - HD3 LYS 19 far 0 72 0 - 8.3-27.0 HA LEU 22 - HD2 LYS 26 far 0 100 0 - 8.4-15.7 HA SER 74 - HD2 LYS 24 far 0 75 0 - 8.4-24.9 HA ARG 23 - HD3 LYS 19 far 0 67 0 - 8.4-12.6 HA ALA 12 - HD3 LYS 31 far 0 89 0 - 8.4-38.1 HA LEU 22 - HD3 LYS 26 far 0 100 0 - 8.5-15.5 HA LEU 22 - HD2 LYS 19 far 0 77 0 - 8.6-11.0 HA LEU 22 - HD2 LYS 31 far 0 99 0 - 8.6-22.9 HA ARG 23 - HD2 LYS 19 far 0 72 0 - 8.7-12.2 HA THR 18 - HD2 LYS 24 far 0 87 0 - 8.7-12.7 HA THR 18 - HD2 LYS 31 far 0 93 0 - 8.7-26.2 HA THR 25 - HD3 LYS 31 far 0 78 0 - 8.7-17.7 HA SER 124 - HD3 LYS 95 far 0 69 0 - 8.8-12.3 HA SER 124 - HD2 LYS 95 far 0 67 0 - 8.8-12.6 HA LYS 31 - HD2 LYS 19 far 0 77 0 - 8.9-27.5 HA LYS 31 - HD3 LYS 36 far 0 95 0 - 9.1-9.5 HA THR 18 - HD3 LYS 24 far 0 83 0 - 9.1-13.3 HA THR 25 - HD2 LYS 31 far 0 76 0 - 9.2-17.6 HA ALA 15 - HD3 LYS 31 far 0 96 0 - 9.4-29.3 HA GLN 27 - HD3 LYS 31 far 0 80 0 - 9.4-13.4 HA GLN 27 - HD2 LYS 31 far 0 79 0 - 9.5-14.5 HA LEU 22 - HD3 LYS 19 far 0 72 0 - 9.5-12.1 HA ARG 23 - HD2 LYS 36 far 0 90 0 - 9.5-19.6 HA GLN 27 - HD3 LYS 24 far 0 69 0 - 9.6-12.5 HA THR 25 - HD2 LYS 19 far 0 53 0 - 9.6-17.8 HA LYS 19 - HD3 LYS 26 far 0 100 0 - 9.7-20.2 HA PHE 87 - HD3 LYS 95 far 0 100 0 - 9.7-12.5 HA PHE 87 - HD3 LYS 19 far 0 72 0 - 9.9-41.0 HA PHE 87 - HD2 LYS 19 far 0 77 0 - 10.0-40.9 HA LYS 26 - HD3 LYS 19 far 0 73 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 650 from aliabs.peaks (1.75, 1.66, 28.90 ppm; 4.74 A): 8 out of 48 assignments used, quality = 1.00: * HB2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.1-4.0 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 2.3-3.9 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.1-4.2 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.6-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.6-3.7 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 77 77 100 100 2.2-3.2 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 72 72 100 100 2.0-3.5 3.9=100 HB2 LYS 31 - HD2 LYS 26 poor 20 100 20 - 3.7-10.0 HB2 LYS 31 - HD3 LYS 26 poor 20 100 20 - 2.1-9.6 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.6-25.0 HB2 LYS 19 - HD2 LYS 31 far 5 99 5 - 5.2-25.0 HB2 ARG 23 - HD3 LYS 31 far 5 99 5 - 4.8-19.6 HB2 LYS 26 - HD2 LYS 31 far 0 99 0 - 5.4-13.3 HG3 ARG 90 - HD3 LYS 19 far 0 69 0 - 5.6-37.6 HB2 ARG 23 - HD3 LYS 24 far 0 89 0 - 5.6-9.0 HB2 ARG 23 - HD2 LYS 31 far 0 98 0 - 5.7-20.8 HB2 ARG 23 - HD2 LYS 24 far 0 93 0 - 6.0-9.1 HB2 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.1-13.8 HG3 ARG 90 - HD2 LYS 19 far 0 74 0 - 6.5-37.7 HG13 ILE 129 - HD3 LYS 95 far 0 100 0 - 7.1-11.4 HB2 ARG 23 - HD3 LYS 19 far 0 70 0 - 7.3-12.6 HB2 LYS 24 - HD2 LYS 19 far 0 77 0 - 7.3-16.3 HG13 ILE 129 - HD2 LYS 95 far 0 98 0 - 7.3-11.5 HB2 ARG 23 - HD2 LYS 19 far 0 75 0 - 7.5-11.9 HB2 ARG 23 - HD3 LYS 26 far 0 98 0 - 7.5-14.0 HB ILE 80 - HD3 LYS 19 far 0 67 0 - 7.8-37.4 HB2 ARG 23 - HD2 LYS 26 far 0 99 0 - 7.8-13.1 HB2 LYS 19 - HD3 LYS 24 far 0 92 0 - 7.9-15.5 HB2 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.9-11.0 HB2 LYS 31 - HD3 LYS 19 far 0 72 0 - 8.2-24.6 HB2 LYS 19 - HD2 LYS 24 far 0 95 0 - 8.2-15.2 HB2 LYS 24 - HD3 LYS 19 far 0 73 0 - 8.2-16.3 HB2 LYS 31 - HD2 LYS 36 far 0 94 0 - 8.4-9.8 HB2 LYS 26 - HD3 LYS 24 far 0 92 0 - 8.4-11.9 HG3 ARG 90 - HD3 LYS 95 far 0 98 0 - 8.5-12.5 HB2 LYS 24 - HD2 LYS 26 far 0 100 0 - 8.6-11.1 HB2 LYS 31 - HD2 LYS 24 far 0 95 0 - 8.8-21.3 HG3 ARG 90 - HD2 LYS 95 far 0 96 0 - 9.2-11.8 HB ILE 80 - HD2 LYS 19 far 0 72 0 - 9.2-37.4 HB2 LYS 31 - HD2 LYS 19 far 0 77 0 - 9.2-25.0 HB2 LYS 31 - HD3 LYS 24 far 0 92 0 - 9.4-20.4 HB2 ARG 23 - HD2 LYS 36 far 0 92 0 - 9.5-21.1 HB2 LYS 26 - HD2 LYS 24 far 0 95 0 - 9.6-12.5 HB2 LYS 31 - HD3 LYS 36 far 0 95 0 - 9.7-11.4 HG3 ARG 90 - HD3 LYS 24 far 0 89 0 - 9.8-25.6 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 9.9-20.2 HB2 LYS 24 - HD2 LYS 31 far 0 99 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 651 from aliabs.peaks (1.81, 1.66, 28.90 ppm; 5.70 A): 13 out of 62 assignments used, quality = 1.00: * HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.0-3.2 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.1-4.1 3.5=100 HB ILE 32 + HD2 LYS 26 OK 100 100 100 100 4.2-5.1 ~10767=65, 3.0/10763=57...(58) HB3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.0-3.3 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.0-3.8 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.5-4.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 3.0-4.0 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.0-3.2 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.1-3.7 3.5=100 HB ILE 32 + HD3 LYS 26 OK 80 99 80 100 3.4-6.5 10833/1.8=64, ~10766=56...(63) HB3 LYS 19 + HD2 LYS 19 OK 74 74 100 100 3.5-4.1 3.9=100 HB3 LYS 19 + HD3 LYS 19 OK 69 69 100 100 3.3-4.2 3.9=100 HB ILE 32 + HD2 LYS 36 OK 39 94 55 76 5.9-6.8 6361/10855=45...(7) HB3 LYS 31 - HD2 LYS 26 poor 20 100 20 - 4.7-11.2 HB3 ARG 23 - HD3 LYS 24 poor 18 91 35 56 4.2-8.9 ~833=8, 3.0/3938=8...(21) HB3 LYS 31 - HD3 LYS 26 far 15 100 15 - 3.5-10.7 HB3 ARG 23 - HD2 LYS 24 far 14 95 15 - 5.3-8.9 HB VAL 93 - HD3 LYS 95 far 9 93 10 - 5.6-8.6 HB2 LYS 36 - HD3 LYS 26 far 5 100 5 - 6.1-12.6 HB3 LYS 26 - HD2 LYS 31 far 5 99 5 - 5.9-12.3 HB3 LYS 19 - HD3 LYS 31 far 5 99 5 - 3.0-23.2 HB3 LYS 19 - HD2 LYS 31 far 5 97 5 - 3.4-23.3 HB3 ARG 23 - HD3 LYS 26 far 0 100 0 - 6.3-14.3 HB2 LYS 36 - HD2 LYS 26 far 0 100 0 - 6.3-11.2 HB3 LYS 19 - HD3 LYS 24 far 0 89 0 - 6.4-14.8 HB VAL 93 - HD2 LYS 95 far 0 91 0 - 6.4-8.7 HB ILE 32 - HD3 LYS 31 far 0 100 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 100 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 100 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 99 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 92 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.8-12.2 HB3 ARG 23 - HD2 LYS 31 far 0 99 0 - 7.3-22.1 HB ILE 32 - HD3 LYS 36 far 0 94 0 - 7.6-8.5 HB3 LYS 31 - HD3 LYS 19 far 0 72 0 - 8.1-26.2 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.1-12.5 HB2 CYS 79 - HD3 LYS 19 far 0 61 0 - 8.3-33.8 HB2 LYS 36 - HD2 LYS 31 far 0 99 0 - 8.3-12.3 HB2 LYS 86 - HD3 LYS 19 far 0 51 0 - 8.4-38.5 HB3 LYS 31 - HD2 LYS 19 far 0 77 0 - 8.4-26.6 HB VAL 93 - HD3 LYS 19 far 0 64 0 - 8.4-40.5 HB3 ARG 23 - HD3 LYS 19 far 0 72 0 - 8.5-12.9 HB2 CYS 79 - HD2 LYS 24 far 0 84 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 92 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 100 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 19 far 0 77 0 - 8.8-16.9 HB3 LYS 24 - HD2 LYS 26 far 0 100 0 - 8.8-11.0 HB3 ARG 23 - HD2 LYS 19 far 0 77 0 - 8.9-12.7 HB VAL 93 - HD2 LYS 19 far 0 68 0 - 9.3-40.8 HB3 LYS 31 - HD2 LYS 36 far 0 94 0 - 9.3-10.5 HB2 LYS 86 - HD2 LYS 19 far 0 55 0 - 9.3-38.4 HB3 LYS 26 - HD3 LYS 24 far 0 92 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 98 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 99 0 - 9.5-19.2 HB3 LYS 26 - HD2 LYS 36 far 0 95 0 - 9.7-12.7 HB2 CYS 79 - HD3 LYS 36 far 0 84 0 - 9.8-11.3 HB2 CYS 79 - HD2 LYS 36 far 0 83 0 - 9.8-11.7 HB3 LYS 24 - HD3 LYS 19 far 0 73 0 - 9.8-17.0 HB3 ARG 23 - HD2 LYS 36 far 0 94 0 - 9.9-20.6 HB2 CYS 79 - HD3 LYS 24 far 0 80 0 - 9.9-24.7 HB2 CYS 79 - HD2 LYS 19 far 0 66 0 - 9.9-33.8 HB3 LYS 31 - HD2 LYS 24 far 0 95 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 652 from aliabs.peaks (1.43, 1.66, 28.90 ppm; 4.83 A): 14 out of 55 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 2.2-3.0 2.9=100 HG13 ILE 32 + HD2 LYS 26 OK 95 100 95 100 2.3-5.4 ~10767=60, 892/10763=42...(69) HG13 ILE 32 + HD3 LYS 26 OK 95 100 95 100 3.4-5.5 ~10833=32, 1.8/10767=32...(67) HG3 LYS 24 + HD2 LYS 24 OK 80 80 100 100 2.2-3.0 3.0=100 QB ALA 92 + HD3 LYS 95 OK 80 100 80 100 4.5-5.9 9948/3.7=66, 2.1/9941=45...(21) HG3 LYS 24 + HD3 LYS 24 OK 77 77 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 75 75 100 100 2.9-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 70 70 100 100 2.3-2.8 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 68 68 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 66 66 100 100 2.4-3.0 2.9=100 HG3 LYS 36 + HD3 LYS 36 OK 55 55 100 100 2.7-2.9 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 55 55 100 100 2.8-3.0 3.0=100 QB ALA 92 + HD2 LYS 95 OK 34 98 35 100 3.1-6.5 9948/3.7=66, ~9941=43...(21) QB ALA 34 - HD3 LYS 26 poor 18 89 20 - 4.4-7.4 QB ALA 34 - HD2 LYS 26 poor 11 90 40 30 4.2-7.0 6364/10855=16...(4) HG3 LYS 19 - HD2 LYS 31 far 10 98 10 - 4.2-23.7 HG2 LYS 31 - HD3 LYS 26 far 7 67 10 - 4.0-11.7 HG2 LYS 26 - HD3 LYS 31 far 5 100 5 - 5.1-14.0 HG2 LYS 26 - HD2 LYS 31 far 5 99 5 - 5.2-13.9 HG3 LYS 19 - HD3 LYS 31 far 5 99 5 - 3.5-23.9 HG2 LYS 31 - HD2 LYS 26 far 0 68 0 - 5.7-12.1 QB ALA 34 - HD2 LYS 36 far 0 82 0 - 5.8-6.1 HG13 ILE 32 - HD2 LYS 31 far 0 99 0 - 6.0-8.4 HG13 ILE 32 - HD3 LYS 31 far 0 100 0 - 6.2-9.0 QB ALA 34 - HD3 LYS 36 far 0 82 0 - 6.3-6.6 HG3 LYS 19 - HD3 LYS 24 far 0 89 0 - 7.6-15.9 QB ALA 34 - HD3 LYS 19 far 0 60 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 90 0 - 7.9-10.9 HG2 LYS 86 - HD3 LYS 19 far 0 58 0 - 8.0-37.5 HG3 LYS 24 - HD2 LYS 19 far 0 62 0 - 8.0-16.0 HG2 LYS 31 - HD2 LYS 36 far 0 60 0 - 8.0-10.5 QB ALA 34 - HD2 LYS 31 far 0 89 0 - 8.0-10.8 HG13 ILE 32 - HD2 LYS 36 far 0 94 0 - 8.1-8.6 HG3 LYS 36 - HD3 LYS 26 far 0 62 0 - 8.3-14.1 HG2 LYS 26 - HD3 LYS 24 far 0 92 0 - 8.3-12.6 HG3 LYS 19 - HD2 LYS 24 far 0 93 0 - 8.4-15.6 HG2 LYS 31 - HD3 LYS 19 far 0 42 0 - 8.5-25.2 HG2 LYS 31 - HD2 LYS 19 far 0 45 0 - 8.5-25.7 HG3 LYS 36 - HD2 LYS 26 far 0 63 0 - 8.6-12.6 QB ALA 34 - HD2 LYS 24 far 0 82 0 - 8.8-16.8 HG3 LYS 19 - HD3 LYS 26 far 0 98 0 - 9.0-20.4 QB ALA 34 - HD2 LYS 19 far 0 64 0 - 9.1-23.8 HG2 LYS 31 - HD3 LYS 36 far 0 60 0 - 9.2-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 95 0 - 9.2-12.8 HG3 LYS 24 - HD3 LYS 19 far 0 58 0 - 9.2-16.2 QB ALA 34 - HD3 LYS 24 far 0 78 0 - 9.2-15.8 HG2 LYS 86 - HD2 LYS 19 far 0 62 0 - 9.3-37.4 HG3 LYS 36 - HD3 LYS 31 far 0 63 0 - 9.4-14.3 HG2 LYS 26 - HD2 LYS 24 far 0 95 0 - 9.4-13.2 HG3 LYS 19 - HD2 LYS 26 far 0 99 0 - 9.5-19.8 HG3 LYS 36 - HD2 LYS 31 far 0 61 0 - 9.5-14.0 HG3 LYS 24 - HD3 LYS 31 far 0 89 0 - 9.8-22.2 HG13 ILE 32 - HD3 LYS 36 far 0 95 0 - 9.8-10.3 HG2 LYS 31 - HD2 LYS 24 far 0 60 0 - 10.0-23.6 Violated in 0 structures by 0.00 A. Peak 653 from aliabs.peaks (1.38, 1.66, 28.90 ppm; 4.94 A): 15 out of 80 assignments used, quality = 1.00: * HG3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.6-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 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 2.5-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 97 97 100 100 2.3-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 96 96 100 100 2.3-3.0 2.9=100 HG2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 95 95 100 100 2.7-2.9 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 2.4-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 71 71 100 100 2.2-2.7 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 66 66 100 100 2.3-3.0 3.0=100 QB ALA 29 + HD2 LYS 26 OK 29 100 45 63 2.5-6.4 10790/10833=28...(14) QB ALA 28 - HD3 LYS 26 poor 20 100 20 - 4.7-8.5 QB ALA 29 - HD3 LYS 26 poor 16 100 30 53 2.3-7.8 10739/10829=17...(14) QB ALA 28 - HD2 LYS 26 poor 13 100 25 54 4.9-7.9 6304/10771=22, ~10771=17...(9) HG3 LYS 31 - HD3 LYS 26 far 10 99 10 - 4.1-12.0 HG3 LYS 31 - HD2 LYS 26 far 5 100 5 - 5.4-12.2 QB ALA 16 - HD3 LYS 31 far 5 97 5 - 4.2-24.3 HG2 LYS 19 - HD3 LYS 31 far 5 96 5 - 3.6-23.8 QB ALA 16 - HD2 LYS 31 far 5 96 5 - 4.6-24.2 HG2 LYS 19 - HD2 LYS 31 far 5 95 5 - 4.9-23.9 QB ALA 12 - HD3 LYS 31 far 4 78 5 - 5.2-32.1 QB ALA 15 - HD2 LYS 19 far 4 77 5 - 3.8-10.9 QB ALA 12 - HD3 LYS 95 far 4 77 5 - 5.5-31.9 QB ALA 12 - HD2 LYS 31 far 4 76 5 - 4.5-32.1 QB ALA 15 - HD3 LYS 19 far 4 73 5 - 3.7-10.4 QB ALA 16 - HD2 LYS 19 lone 3 72 55 6 3.5-7.5 QB ALA 16 - HD3 LYS 19 lone 2 67 50 5 4.2-7.8 QB ALA 12 - HD2 LYS 95 far 0 74 0 - 5.6-32.8 QB ALA 29 - HD2 LYS 36 far 0 94 0 - 6.1-9.0 HG3 LYS 31 - HD2 LYS 36 far 0 94 0 - 6.6-10.5 HB2 LEU 96 - HD2 LYS 95 far 0 98 0 - 6.7-9.2 HG3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 99 0 - 6.9-14.3 HB2 LEU 96 - HD3 LYS 95 far 0 100 0 - 7.1-8.9 QB ALA 12 - HD3 LYS 19 far 0 50 0 - 7.4-17.7 HG LEU 96 - HD3 LYS 95 far 0 89 0 - 7.4-9.8 QB ALA 29 - HD3 LYS 36 far 0 95 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 99 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 100 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 77 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 86 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 72 0 - 7.7-26.9 QB ALA 15 - HD3 LYS 95 far 0 100 0 - 7.8-38.1 QB ALA 28 - HD3 LYS 31 far 0 100 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 91 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 94 0 - 7.9-11.7 HG LEU 96 - HD2 LYS 95 far 0 86 0 - 8.0-10.0 QB ALA 15 - HD2 LYS 95 far 0 98 0 - 8.0-39.2 QB ALA 28 - HD2 LYS 24 far 0 95 0 - 8.1-15.1 QB ALA 28 - HD2 LYS 31 far 0 99 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 53 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 89 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 76 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 70 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 100 0 - 8.6-22.7 QB ALA 16 - HD2 LYS 24 far 0 90 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 92 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 100 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 92 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 95 0 - 9.1-12.8 QB ALA 12 - HD3 LYS 36 far 0 70 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 91 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 100 0 - 9.2-24.7 HG2 LYS 24 - HD3 LYS 26 far 0 99 0 - 9.3-12.6 HG3 LYS 31 - HD2 LYS 24 far 0 94 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 99 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 71 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 100 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 95 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 91 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 96 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 95 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 99 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 87 0 - 9.9-17.6 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): 20 out of 66 assignments used, quality = 1.00: * HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-2.9 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 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.5-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 95 95 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 95 95 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 84 84 100 100 2.3-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 77 77 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 77 77 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 72 72 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 72 72 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD3 LYS 31 far 10 100 10 - 5.7-26.7 HE2 LYS 19 - HD3 LYS 31 far 5 100 5 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 5 100 5 - 6.4-15.3 HE3 LYS 19 - HD2 LYS 31 far 5 99 5 - 5.6-26.9 HE2 LYS 19 - HD2 LYS 31 far 5 99 5 - 6.1-25.3 HE3 LYS 26 - HD2 LYS 31 far 5 99 5 - 6.6-14.7 HE3 LYS 31 - HD3 LYS 26 far 5 99 5 - 6.5-13.3 HE2 LYS 26 - HD2 LYS 36 far 5 95 5 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 71 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 95 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 75 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 73 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 93 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 100 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 95 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 99 0 - 7.7-13.6 HB3 ASN 121 - HD3 LYS 95 far 0 85 0 - 7.9-10.8 HE2 LYS 31 - HD3 LYS 36 far 0 95 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 77 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 99 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 94 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 72 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 70 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 94 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 77 0 - 8.6-36.9 HB3 ASN 121 - HD2 LYS 95 far 0 82 0 - 8.7-10.6 HE3 LYS 24 - HD3 LYS 19 far 0 65 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 95 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 65 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 91 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 100 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 95 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 75 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 91 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 72 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 77 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 71 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 657 from aliabs.peaks (2.96, 1.66, 28.90 ppm; 6.02 A): 20 out of 66 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 2.2-2.9 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 2.3-3.0 3.0=100 HE2 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 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.5-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 80 80 100 100 2.3-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 75 75 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 75 75 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 71 71 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 71 71 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD3 LYS 31 far 10 99 10 - 5.7-26.7 HE3 LYS 26 - HD3 LYS 31 far 5 100 5 - 6.4-15.3 HE2 LYS 19 - HD3 LYS 31 far 5 99 5 - 6.4-25.6 HE3 LYS 19 - HD2 LYS 31 far 5 98 5 - 5.6-26.9 HE2 LYS 19 - HD2 LYS 31 far 5 98 5 - 6.1-25.3 HE3 LYS 31 - HD3 LYS 26 far 5 97 5 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 99 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 94 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 100 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 68 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 94 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 73 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 72 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 91 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 100 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 95 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 98 0 - 7.7-13.6 HB3 ASN 121 - HD3 LYS 95 far 0 91 0 - 7.9-10.8 HE2 LYS 31 - HD3 LYS 36 far 0 95 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 77 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 99 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 95 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 70 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 66 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 91 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 75 0 - 8.6-36.9 HB3 ASN 121 - HD2 LYS 95 far 0 88 0 - 8.7-10.6 HE3 LYS 24 - HD3 LYS 19 far 0 61 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 95 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 58 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 92 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 100 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 95 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 73 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 90 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 73 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 77 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 68 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 660 from aliabs.peaks (4.27, 1.66, 28.90 ppm; 6.80 A): 22 out of 91 assignments used, quality = 1.00: * HA LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.0-5.3 5.0=100 HA LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.0-5.1 5.0=100 HA LYS 31 + HD3 LYS 31 OK 99 99 100 100 1.9-4.8 5.2=100 HA LYS 31 + HD2 LYS 31 OK 97 97 100 100 2.0-4.7 5.2=100 HA LYS 36 + HD2 LYS 36 OK 83 83 100 100 4.6-4.6 5.3=100 HA LYS 36 + HD3 LYS 36 OK 83 83 100 100 4.9-5.2 5.3=100 HA LEU 22 + HD2 LYS 24 OK 78 95 95 86 3.2-9.0 ~1309=29, 11967/3.0=28...(11) HA THR 25 + HD3 LYS 26 OK 78 78 100 99 5.2-6.8 11150/2.9=68, 582/5.7=63...(10) HA THR 25 + HD2 LYS 26 OK 76 77 100 99 4.9-6.7 11150/2.9=68, 582/5.7=63...(10) HA GLN 27 + HD3 LYS 26 OK 76 81 95 100 3.1-7.9 3.0/6267=47, ~6264=46...(21) HA GLN 27 + HD2 LYS 26 OK 75 80 95 100 3.5-7.5 3.0/6266=47, ~6264=46...(21) HA ARG 23 + HD3 LYS 24 OK 70 81 90 96 4.0-7.6 424/5.9=83, ~832=28...(17) HA LEU 22 + HD3 LYS 24 OK 70 86 95 86 3.7-8.5 ~1309=29, 11967/3.0=28...(11) HA ARG 23 + HD2 LYS 24 OK 70 91 80 96 5.0-7.8 424/5.9=83, ~832=28...(20) HA LYS 19 + HD2 LYS 19 OK 69 69 100 100 3.5-4.4 5.2=100 HA LYS 19 + HD3 LYS 19 OK 64 64 100 100 3.8-5.0 5.2=100 HA THR 25 + HD3 LYS 24 OK 61 61 100 100 5.8-7.0 ~6234=78, ~522=70...(10) HA THR 18 + HD2 LYS 19 OK 61 61 100 100 5.0-5.5 3.2/10696=82...(15) HA THR 18 + HD3 LYS 19 OK 56 56 100 100 5.6-7.0 ~10696=86, ~10692=83...(15) HA ALA 28 + HD2 LYS 26 OK 46 72 85 75 4.2-7.8 3.0/10771=42, ~10771=32...(12) HA ALA 28 + HD3 LYS 26 OK 44 73 80 74 3.9-9.2 3.0/10771=37, ~10771=34...(12) HA THR 25 + HD2 LYS 24 OK 35 70 50 100 6.5-8.0 ~6234=78, ~522=70...(10) HA ALA 21 - HD3 LYS 24 poor 18 50 35 - 5.0-11.3 HA ALA 15 - HD3 LYS 19 poor 17 58 30 - 6.2-11.9 HA ALA 15 - HD2 LYS 19 poor 13 64 20 - 5.7-11.6 HA LYS 31 - HD3 LYS 26 poor 11 100 25 44 4.0-10.4 6342/6348=17...(9) HA LYS 31 - HD2 LYS 26 poor 10 100 25 41 5.1-10.1 6342/6348=18...(7) HA ARG 23 - HD3 LYS 26 far 10 97 10 - 6.4-12.1 HA LYS 19 - HD2 LYS 24 far 10 95 10 - 6.5-12.9 HA LYS 36 - HD2 LYS 26 far 9 89 10 - 5.9-11.4 HA LYS 19 - HD3 LYS 24 far 9 86 10 - 6.6-13.2 HA ALA 16 - HD2 LYS 19 lone 7 67 85 12 4.1-8.2 7131/6.2=3, 3.6/292=2 HA LYS 19 - HD3 LYS 31 far 5 99 5 - 4.2-24.3 HA ALA 16 - HD3 LYS 31 far 5 97 5 - 7.0-28.5 HA LYS 26 - HD2 LYS 31 far 5 97 5 - 6.5-14.6 HA LYS 19 - HD2 LYS 31 far 5 97 5 - 5.1-24.1 HA ALA 16 - HD3 LYS 19 lone 5 61 65 12 4.7-9.2 7131/6.2=3, 3.6/292=1 HA ARG 23 - HD3 LYS 31 far 5 96 5 - 5.4-17.9 HA ALA 16 - HD2 LYS 31 far 5 94 5 - 7.3-28.5 HA ARG 23 - HD2 LYS 31 far 5 93 5 - 5.5-19.1 HA THR 18 - HD3 LYS 31 far 5 93 5 - 7.1-26.4 HA LYS 36 - HD3 LYS 26 far 5 90 5 - 6.0-12.7 HA LYS 26 - HD3 LYS 24 far 4 87 5 - 6.8-10.5 HA ALA 12 - HD3 LYS 95 far 4 86 5 - 7.1-39.3 HA ALA 12 - HD2 LYS 95 far 4 80 5 - 6.9-40.4 HA ALA 21 - HD3 LYS 31 far 3 64 5 - 6.6-23.8 HA SER 74 - HD2 LYS 19 far 3 51 5 - 6.2-35.4 HA ALA 12 - HD3 LYS 19 far 3 51 5 - 6.5-20.5 HA SER 74 - HD3 LYS 19 far 2 46 5 - 4.6-35.1 HA ALA 21 - HD2 LYS 24 lone 1 58 40 4 5.2-10.9 HA LYS 31 - HD2 LYS 36 far 0 95 0 - 7.5-8.1 HA ALA 12 - HD2 LYS 19 far 0 56 0 - 7.6-20.3 HA SER 74 - HD3 LYS 24 far 0 66 0 - 7.6-23.3 HA ALA 21 - HD3 LYS 19 far 0 35 0 - 7.7-9.8 HA ALA 12 - HD2 LYS 31 far 0 83 0 - 7.7-38.2 HA LEU 22 - HD3 LYS 31 far 0 99 0 - 7.8-22.1 HA LYS 26 - HD3 LYS 31 far 0 99 0 - 7.8-13.5 HA LYS 26 - HD2 LYS 24 far 0 95 0 - 7.8-10.9 HA ALA 21 - HD2 LYS 19 far 0 38 0 - 7.8-8.6 HA ARG 23 - HD2 LYS 26 far 0 97 0 - 7.9-11.1 HA ALA 21 - HD2 LYS 31 far 0 60 0 - 8.2-24.8 HA LYS 31 - HD3 LYS 19 far 0 64 0 - 8.3-27.0 HA LEU 22 - HD2 LYS 26 far 0 100 0 - 8.4-15.7 HA SER 74 - HD2 LYS 24 far 0 75 0 - 8.4-24.9 HA ARG 23 - HD3 LYS 19 far 0 59 0 - 8.4-12.6 HA ALA 12 - HD3 LYS 31 far 0 87 0 - 8.4-38.1 HA LEU 22 - HD3 LYS 26 far 0 100 0 - 8.5-15.5 HA LEU 22 - HD2 LYS 19 far 0 69 0 - 8.6-11.0 HA LEU 22 - HD2 LYS 31 far 0 97 0 - 8.6-22.9 HA ARG 23 - HD2 LYS 19 far 0 65 0 - 8.7-12.2 HA THR 18 - HD2 LYS 24 far 0 87 0 - 8.7-12.7 HA THR 18 - HD2 LYS 31 far 0 89 0 - 8.7-26.2 HA THR 25 - HD3 LYS 31 far 0 76 0 - 8.7-17.7 HA SER 124 - HD3 LYS 95 far 0 68 0 - 8.8-12.3 HA SER 124 - HD2 LYS 95 far 0 62 0 - 8.8-12.6 HA LYS 31 - HD2 LYS 19 far 0 70 0 - 8.9-27.5 HA LYS 31 - HD3 LYS 36 far 0 95 0 - 9.1-9.5 HA THR 18 - HD3 LYS 24 far 0 78 0 - 9.1-13.3 HA THR 25 - HD2 LYS 31 far 0 72 0 - 9.2-17.6 HA ALA 15 - HD3 LYS 31 far 0 95 0 - 9.4-29.3 HA GLN 27 - HD3 LYS 31 far 0 79 0 - 9.4-13.4 HA GLN 27 - HD2 LYS 31 far 0 75 0 - 9.5-14.5 HA LEU 22 - HD3 LYS 19 far 0 64 0 - 9.5-12.1 HA ARG 23 - HD2 LYS 36 far 0 91 0 - 9.5-19.6 HA GLN 27 - HD3 LYS 24 far 0 63 0 - 9.6-12.5 HA THR 25 - HD2 LYS 19 far 0 47 0 - 9.6-17.8 HA LYS 19 - HD3 LYS 26 far 0 100 0 - 9.7-20.2 HA PHE 87 - HD3 LYS 95 far 0 99 0 - 9.7-12.5 HA PHE 87 - HD3 LYS 19 far 0 64 0 - 9.9-41.0 HA PHE 87 - HD2 LYS 19 far 0 70 0 - 10.0-40.9 HA LYS 26 - HD3 LYS 19 far 0 64 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 661 from aliabs.peaks (1.75, 1.66, 28.90 ppm; 4.74 A): 8 out of 48 assignments used, quality = 1.00: * HB2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-3.9 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.1-4.0 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 2.1-4.2 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.6-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 87 87 100 100 2.6-3.7 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 70 70 100 100 2.2-3.2 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 64 64 100 100 2.0-3.5 3.9=100 HB2 LYS 31 - HD3 LYS 26 poor 20 100 20 - 2.1-9.6 HB2 LYS 31 - HD2 LYS 26 poor 20 100 20 - 3.7-10.0 HB2 LYS 19 - HD3 LYS 31 far 5 99 5 - 4.6-25.0 HB2 ARG 23 - HD3 LYS 31 far 5 98 5 - 4.8-19.6 HB2 LYS 19 - HD2 LYS 31 far 5 97 5 - 5.2-25.0 HB2 LYS 26 - HD2 LYS 31 far 0 97 0 - 5.4-13.3 HG3 ARG 90 - HD3 LYS 19 far 0 61 0 - 5.6-37.6 HB2 ARG 23 - HD3 LYS 24 far 0 84 0 - 5.6-9.0 HB2 ARG 23 - HD2 LYS 31 far 0 95 0 - 5.7-20.8 HB2 ARG 23 - HD2 LYS 24 far 0 93 0 - 6.0-9.1 HB2 LYS 26 - HD3 LYS 31 far 0 99 0 - 6.1-13.8 HG3 ARG 90 - HD2 LYS 19 far 0 67 0 - 6.5-37.7 HG13 ILE 129 - HD3 LYS 95 far 0 99 0 - 7.1-11.4 HB2 ARG 23 - HD3 LYS 19 far 0 62 0 - 7.3-12.6 HB2 LYS 24 - HD2 LYS 19 far 0 70 0 - 7.3-16.3 HG13 ILE 129 - HD2 LYS 95 far 0 94 0 - 7.3-11.5 HB2 ARG 23 - HD2 LYS 19 far 0 67 0 - 7.5-11.9 HB2 ARG 23 - HD3 LYS 26 far 0 99 0 - 7.5-14.0 HB ILE 80 - HD3 LYS 19 far 0 59 0 - 7.8-37.4 HB2 ARG 23 - HD2 LYS 26 far 0 98 0 - 7.8-13.1 HB2 LYS 19 - HD3 LYS 24 far 0 86 0 - 7.9-15.5 HB2 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.9-11.0 HB2 LYS 31 - HD3 LYS 19 far 0 64 0 - 8.2-24.6 HB2 LYS 19 - HD2 LYS 24 far 0 95 0 - 8.2-15.2 HB2 LYS 24 - HD3 LYS 19 far 0 64 0 - 8.2-16.3 HB2 LYS 31 - HD2 LYS 36 far 0 95 0 - 8.4-9.8 HB2 LYS 26 - HD3 LYS 24 far 0 87 0 - 8.4-11.9 HG3 ARG 90 - HD3 LYS 95 far 0 97 0 - 8.5-12.5 HB2 LYS 24 - HD2 LYS 26 far 0 100 0 - 8.6-11.1 HB2 LYS 31 - HD2 LYS 24 far 0 95 0 - 8.8-21.3 HG3 ARG 90 - HD2 LYS 95 far 0 91 0 - 9.2-11.8 HB ILE 80 - HD2 LYS 19 far 0 65 0 - 9.2-37.4 HB2 LYS 31 - HD2 LYS 19 far 0 70 0 - 9.2-25.0 HB2 LYS 31 - HD3 LYS 24 far 0 86 0 - 9.4-20.4 HB2 ARG 23 - HD2 LYS 36 far 0 93 0 - 9.5-21.1 HB2 LYS 26 - HD2 LYS 24 far 0 95 0 - 9.6-12.5 HB2 LYS 31 - HD3 LYS 36 far 0 95 0 - 9.7-11.4 HG3 ARG 90 - HD3 LYS 24 far 0 83 0 - 9.8-25.6 HB2 LYS 24 - HD3 LYS 31 far 0 99 0 - 9.9-20.2 HB2 LYS 24 - HD2 LYS 31 far 0 97 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 662 from aliabs.peaks (1.81, 1.66, 28.90 ppm; 6.80 A): 17 out of 62 assignments used, quality = 1.00: * HB3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.0-3.3 3.5=100 HB ILE 32 + HD3 LYS 26 OK 100 100 100 100 3.4-6.5 ~10766=71, ~10840=70...(64) HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.0-3.2 3.5=100 HB ILE 32 + HD2 LYS 26 OK 99 99 100 100 4.2-5.1 ~10767=84, ~10766=71...(58) HB3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.1-4.1 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 97 97 100 100 2.0-3.8 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.5-4.2 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 95 95 100 100 2.0-3.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 3.0-4.0 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 87 87 100 100 2.1-3.7 3.5=100 HB ILE 32 + HD2 LYS 36 OK 81 95 100 85 5.9-6.8 6361/10855=54...(7) HB3 LYS 19 + HD2 LYS 19 OK 67 67 100 100 3.5-4.1 3.9=100 HB3 LYS 19 + HD3 LYS 19 OK 61 61 100 100 3.3-4.2 3.9=100 HB VAL 93 + HD3 LYS 95 OK 55 92 65 92 5.6-8.6 11342/5.5=55...(6) HB3 ARG 23 + HD3 LYS 24 OK 37 86 65 67 4.2-8.9 ~833=11, ~822=10...(22) HB VAL 93 + HD2 LYS 95 OK 34 86 45 88 6.4-8.7 11342/5.5=55, ~9828=43...(5) HB3 ARG 23 + HD2 LYS 24 OK 23 95 35 69 5.3-8.9 ~833=11, ~822=10...(23) HB ILE 32 - HD3 LYS 31 poor 20 99 20 - 6.5-9.3 HB3 LYS 26 - HD3 LYS 31 far 15 99 15 - 6.8-12.2 HB3 ARG 23 - HD3 LYS 26 far 10 100 10 - 6.3-14.3 HB2 LYS 36 - HD2 LYS 26 far 10 100 10 - 6.3-11.2 HB3 ARG 23 - HD2 LYS 26 far 10 100 10 - 6.5-13.3 HB3 LYS 26 - HD2 LYS 31 far 10 97 10 - 5.9-12.3 HB3 LYS 19 - HD2 LYS 31 far 9 94 10 - 3.4-23.3 HB ILE 32 - HD2 LYS 31 poor 9 96 25 38 6.7-8.8 6352/6347=18, ~10831=15...(5) HB3 LYS 31 - HD2 LYS 26 poor 6 100 25 25 4.7-11.2 4.6/6348=15, 6332/6335=3 HB3 LYS 31 - HD3 LYS 26 poor 6 100 25 23 3.5-10.7 4.6/6348=14, ~294=1 HB2 LYS 36 - HD3 LYS 26 far 5 100 5 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 31 far 5 99 5 - 6.5-20.8 HB3 LYS 19 - HD3 LYS 31 far 5 97 5 - 3.0-23.2 HB3 ARG 23 - HD2 LYS 31 far 5 97 5 - 7.3-22.1 HB3 LYS 19 - HD2 LYS 24 far 5 93 5 - 6.8-14.4 HB3 LYS 19 - HD3 LYS 24 far 4 83 5 - 6.4-14.8 HB ILE 32 - HD3 LYS 36 far 0 95 0 - 7.6-8.5 HB3 LYS 31 - HD3 LYS 19 far 0 64 0 - 8.1-26.2 HB2 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.1-12.5 HB2 CYS 79 - HD3 LYS 19 far 0 53 0 - 8.3-33.8 HB2 LYS 36 - HD2 LYS 31 far 0 97 0 - 8.3-12.3 HB2 LYS 86 - HD3 LYS 19 far 0 45 0 - 8.4-38.5 HB3 LYS 31 - HD2 LYS 19 far 0 69 0 - 8.4-26.6 HB VAL 93 - HD3 LYS 19 far 0 56 0 - 8.4-40.5 HB3 ARG 23 - HD3 LYS 19 far 0 64 0 - 8.5-12.9 HB2 CYS 79 - HD2 LYS 24 far 0 84 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 91 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 100 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 19 far 0 70 0 - 8.8-16.9 HB3 LYS 24 - HD2 LYS 26 far 0 100 0 - 8.8-11.0 HB3 ARG 23 - HD2 LYS 19 far 0 69 0 - 8.9-12.7 HB VAL 93 - HD2 LYS 19 far 0 61 0 - 9.3-40.8 HB3 LYS 31 - HD2 LYS 36 far 0 95 0 - 9.3-10.5 HB2 LYS 86 - HD2 LYS 19 far 0 49 0 - 9.3-38.4 HB3 LYS 26 - HD3 LYS 24 far 0 87 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 99 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 98 0 - 9.5-19.2 HB3 LYS 26 - HD2 LYS 36 far 0 96 0 - 9.7-12.7 HB2 CYS 79 - HD3 LYS 36 far 0 84 0 - 9.8-11.3 HB2 CYS 79 - HD2 LYS 36 far 0 84 0 - 9.8-11.7 HB3 LYS 24 - HD3 LYS 19 far 0 64 0 - 9.8-17.0 HB3 ARG 23 - HD2 LYS 36 far 0 95 0 - 9.9-20.6 HB2 CYS 79 - HD3 LYS 24 far 0 75 0 - 9.9-24.7 HB2 CYS 79 - HD2 LYS 19 far 0 59 0 - 9.9-33.8 HB3 LYS 31 - HD2 LYS 24 far 0 95 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 663 from aliabs.peaks (1.43, 1.66, 28.90 ppm; 5.98 A): 18 out of 55 assignments used, quality = 1.00: * HG2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HG13 ILE 32 + HD3 LYS 26 OK 100 100 100 100 3.4-5.5 ~10766=49, ~10840=49...(67) HG2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HG13 ILE 32 + HD2 LYS 26 OK 100 100 100 100 2.3-5.4 ~10767=83, 892/10763=56...(69) QB ALA 92 + HD3 LYS 95 OK 99 99 100 100 4.5-5.9 9948/3.7=88, 9950/3.0=55...(21) QB ALA 92 + HD2 LYS 95 OK 94 94 100 100 3.1-6.5 9948/3.7=88, ~9941=57...(21) HG3 LYS 24 + HD2 LYS 24 OK 81 81 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD3 LYS 24 OK 71 71 100 100 2.3-3.0 3.0=100 QB ALA 34 + HD2 LYS 36 OK 70 83 100 85 5.8-6.1 6364/10855=45...(8) HG3 LYS 19 + HD2 LYS 19 OK 67 67 100 100 2.9-3.0 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 66 66 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 63 63 100 100 2.4-3.0 2.9=100 HG3 LYS 19 + HD3 LYS 19 OK 62 62 100 100 2.3-2.8 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 56 56 100 100 2.8-3.0 3.0=100 HG3 LYS 36 + HD3 LYS 36 OK 56 56 100 100 2.7-2.9 3.0=100 QB ALA 34 + HD3 LYS 36 OK 45 83 75 72 6.3-6.6 5.0/10775=37...(7) QB ALA 34 + HD3 LYS 26 OK 44 90 75 64 4.4-7.4 10885/10800=53...(5) QB ALA 34 + HD2 LYS 26 OK 34 89 90 42 4.2-7.0 6364/10855=24...(5) HG2 LYS 31 - HD2 LYS 26 poor 13 67 20 - 5.7-12.1 HG2 LYS 31 - HD3 LYS 26 far 10 68 15 - 4.0-11.7 HG2 LYS 26 - HD3 LYS 31 far 10 99 10 - 5.1-14.0 HG3 LYS 19 - HD3 LYS 31 far 10 98 10 - 3.5-23.9 HG2 LYS 26 - HD2 LYS 31 far 10 97 10 - 5.2-13.9 HG3 LYS 19 - HD2 LYS 31 far 9 95 10 - 4.2-23.7 HG13 ILE 32 - HD3 LYS 31 far 5 99 5 - 6.2-9.0 HG13 ILE 32 - HD2 LYS 31 far 5 97 5 - 6.0-8.4 HG3 LYS 19 - HD3 LYS 24 far 0 84 0 - 7.6-15.9 QB ALA 34 - HD3 LYS 19 far 0 52 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 89 0 - 7.9-10.9 HG2 LYS 86 - HD3 LYS 19 far 0 51 0 - 8.0-37.5 HG3 LYS 24 - HD2 LYS 19 far 0 56 0 - 8.0-16.0 HG2 LYS 31 - HD2 LYS 36 far 0 61 0 - 8.0-10.5 QB ALA 34 - HD2 LYS 31 far 0 85 0 - 8.0-10.8 HG13 ILE 32 - HD2 LYS 36 far 0 95 0 - 8.1-8.6 HG3 LYS 36 - HD3 LYS 26 far 0 63 0 - 8.3-14.1 HG2 LYS 26 - HD3 LYS 24 far 0 87 0 - 8.3-12.6 HG3 LYS 19 - HD2 LYS 24 far 0 93 0 - 8.4-15.6 HG2 LYS 31 - HD3 LYS 19 far 0 36 0 - 8.5-25.2 HG2 LYS 31 - HD2 LYS 19 far 0 40 0 - 8.5-25.7 HG3 LYS 36 - HD2 LYS 26 far 0 62 0 - 8.6-12.6 QB ALA 34 - HD2 LYS 24 far 0 83 0 - 8.8-16.8 HG3 LYS 19 - HD3 LYS 26 far 0 99 0 - 9.0-20.4 QB ALA 34 - HD2 LYS 19 far 0 57 0 - 9.1-23.8 HG2 LYS 31 - HD3 LYS 36 far 0 61 0 - 9.2-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 96 0 - 9.2-12.8 HG3 LYS 24 - HD3 LYS 19 far 0 51 0 - 9.2-16.2 QB ALA 34 - HD3 LYS 24 far 0 73 0 - 9.2-15.8 HG2 LYS 86 - HD2 LYS 19 far 0 56 0 - 9.3-37.4 HG3 LYS 36 - HD3 LYS 31 far 0 61 0 - 9.4-14.3 HG2 LYS 26 - HD2 LYS 24 far 0 95 0 - 9.4-13.2 HG3 LYS 19 - HD2 LYS 26 far 0 98 0 - 9.5-19.8 HG3 LYS 36 - HD2 LYS 31 far 0 58 0 - 9.5-14.0 HG3 LYS 24 - HD3 LYS 31 far 0 87 0 - 9.8-22.2 HG13 ILE 32 - HD3 LYS 36 far 0 95 0 - 9.8-10.3 HG2 LYS 31 - HD2 LYS 24 far 0 61 0 - 10.0-23.6 Violated in 0 structures by 0.00 A. Peak 664 from aliabs.peaks (1.38, 1.66, 28.90 ppm; 5.46 A): 17 out of 80 assignments used, quality = 1.00: * HG3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.6-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.2-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 98 98 100 100 2.5-3.0 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 2.7-2.9 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-2.3 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 2.3-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 92 92 100 100 2.3-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 85 85 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 64 64 100 100 2.2-2.7 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 58 58 100 100 2.3-3.0 3.0=100 QB ALA 29 + HD2 LYS 26 OK 57 100 80 72 2.5-6.4 10790/10833=37...(14) QB ALA 28 + HD2 LYS 26 OK 25 100 40 63 4.9-7.9 6304/10771=29, ~10771=21...(11) QB ALA 28 + HD3 LYS 26 OK 24 100 40 61 4.7-8.5 6304/10771=26, ~10771=23...(13) QB ALA 29 - HD3 LYS 26 poor 18 100 30 61 2.3-7.8 10739/10829=19...(14) HG3 LYS 31 - HD2 LYS 26 far 15 99 15 - 5.4-12.2 QB ALA 15 - HD2 LYS 19 far 10 70 15 - 3.8-10.9 HG3 LYS 31 - HD3 LYS 26 far 10 100 10 - 4.1-12.0 HG2 LYS 19 - HD2 LYS 31 far 9 92 10 - 4.9-23.9 QB ALA 15 - HD3 LYS 19 far 6 64 10 - 3.7-10.4 QB ALA 16 - HD3 LYS 31 far 5 96 5 - 4.2-24.3 HG2 LYS 19 - HD3 LYS 31 far 5 95 5 - 3.6-23.8 QB ALA 16 - HD2 LYS 31 far 5 93 5 - 4.6-24.2 QB ALA 16 - HD2 LYS 19 lone 4 65 70 9 3.5-7.5 7141/6.2=1, 3.7/303=1 QB ALA 12 - HD3 LYS 31 far 4 76 5 - 5.2-32.1 QB ALA 12 - HD3 LYS 95 far 4 76 5 - 5.5-31.9 QB ALA 12 - HD2 LYS 31 far 4 72 5 - 4.5-32.1 QB ALA 12 - HD2 LYS 95 far 3 69 5 - 5.6-32.8 QB ALA 16 - HD3 LYS 19 lone 3 59 65 8 4.2-7.8 7141/6.2=1 QB ALA 29 - HD2 LYS 36 far 0 95 0 - 6.1-9.0 HG3 LYS 31 - HD2 LYS 36 far 0 95 0 - 6.6-10.5 HB2 LEU 96 - HD2 LYS 95 far 0 94 0 - 6.7-9.2 HG3 LYS 26 - HD3 LYS 31 far 0 99 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 97 0 - 6.9-14.3 HB2 LEU 96 - HD3 LYS 95 far 0 99 0 - 7.1-8.9 QB ALA 12 - HD3 LYS 19 far 0 43 0 - 7.4-17.7 HG LEU 96 - HD3 LYS 95 far 0 88 0 - 7.4-9.8 QB ALA 29 - HD3 LYS 36 far 0 95 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 97 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 99 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 69 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 80 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 63 0 - 7.7-26.9 QB ALA 15 - HD3 LYS 95 far 0 99 0 - 7.8-38.1 QB ALA 28 - HD3 LYS 31 far 0 99 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 86 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 95 0 - 7.9-11.7 HG LEU 96 - HD2 LYS 95 far 0 81 0 - 8.0-10.0 QB ALA 15 - HD2 LYS 95 far 0 94 0 - 8.0-39.2 QB ALA 28 - HD2 LYS 24 far 0 95 0 - 8.1-15.1 QB ALA 28 - HD2 LYS 31 far 0 97 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 47 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 90 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 69 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 100 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 71 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 100 0 - 8.6-22.7 QB ALA 16 - HD2 LYS 24 far 0 91 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 87 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 99 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 93 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 96 0 - 9.1-12.8 QB ALA 12 - HD3 LYS 36 far 0 70 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 86 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 99 0 - 9.2-24.7 HG2 LYS 24 - HD3 LYS 26 far 0 100 0 - 9.3-12.6 HG3 LYS 31 - HD2 LYS 24 far 0 95 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 96 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 63 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 100 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 95 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 86 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 97 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 95 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 97 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 81 0 - 9.9-17.6 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): 20 out of 66 assignments used, quality = 1.00: * HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-2.9 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 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 97 97 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 96 96 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 96 96 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 96 96 100 100 2.4-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.5-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 69 69 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 69 69 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 64 64 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 64 64 100 100 2.3-3.0 2.9=100 HE2 LYS 31 - HD3 LYS 26 far 10 100 10 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 26 far 10 99 10 - 6.5-13.3 HE3 LYS 19 - HD3 LYS 31 far 10 99 10 - 5.7-26.7 HE2 LYS 19 - HD3 LYS 31 far 10 99 10 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 10 99 10 - 6.4-15.3 HE3 LYS 19 - HD2 LYS 31 far 10 97 10 - 5.6-26.9 HE2 LYS 26 - HD2 LYS 36 far 10 96 10 - 6.6-11.2 HE2 LYS 31 - HD2 LYS 36 far 10 96 10 - 6.8-12.2 HE2 LYS 36 - HD2 LYS 31 far 5 97 5 - 7.3-12.7 HE3 LYS 36 - HD2 LYS 31 far 5 97 5 - 7.4-12.7 HE2 LYS 19 - HD2 LYS 31 far 5 97 5 - 6.1-25.3 HE3 LYS 26 - HD2 LYS 31 far 5 97 5 - 6.6-14.7 HE3 LYS 31 - HD2 LYS 36 far 5 94 5 - 7.3-11.7 HE3 LYS 31 - HD2 LYS 19 far 3 68 5 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 3 64 5 - 7.2-28.2 HE3 LYS 31 - HD3 LYS 19 far 3 62 5 - 6.8-28.0 HE2 LYS 36 - HD3 LYS 31 far 0 99 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 95 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 99 0 - 7.7-13.6 HB3 ASN 121 - HD3 LYS 95 far 0 84 0 - 7.9-10.8 HE2 LYS 31 - HD3 LYS 36 far 0 95 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 70 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 97 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 95 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 63 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 99 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 63 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 94 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 69 0 - 8.6-36.9 HB3 ASN 121 - HD2 LYS 95 far 0 78 0 - 8.7-10.6 HE3 LYS 24 - HD3 LYS 19 far 0 57 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 95 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 66 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 86 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 100 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 95 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 68 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 86 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 64 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 69 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 62 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 668 from aliabs.peaks (2.96, 1.66, 28.90 ppm; 6.80 A): 20 out of 66 assignments used, quality = 1.00: * HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD3 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 26 + HD2 LYS 26 OK 100 100 100 100 2.2-2.9 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 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 97 97 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 95 95 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 95 95 100 100 2.4-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.5-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 68 68 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 68 68 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 62 62 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 62 62 100 100 2.3-3.0 2.9=100 HE2 LYS 31 - HD3 LYS 26 far 10 100 10 - 6.7-13.3 HE3 LYS 26 - HD3 LYS 31 far 10 99 10 - 6.4-15.3 HE3 LYS 19 - HD3 LYS 31 far 10 98 10 - 5.7-26.7 HE2 LYS 19 - HD3 LYS 31 far 10 98 10 - 6.4-25.6 HE3 LYS 31 - HD3 LYS 26 far 10 98 10 - 6.5-13.3 HE3 LYS 19 - HD2 LYS 31 far 10 96 10 - 5.6-26.9 HE2 LYS 26 - HD2 LYS 36 far 10 95 10 - 6.6-11.2 HE2 LYS 31 - HD2 LYS 36 far 10 95 10 - 6.8-12.2 HE3 LYS 26 - HD2 LYS 31 far 5 97 5 - 6.6-14.7 HE2 LYS 36 - HD2 LYS 31 far 5 97 5 - 7.3-12.7 HE3 LYS 36 - HD2 LYS 31 far 5 97 5 - 7.4-12.7 HE2 LYS 19 - HD2 LYS 31 far 5 96 5 - 6.1-25.3 HE3 LYS 31 - HD2 LYS 36 far 5 92 5 - 7.3-11.7 HE3 LYS 31 - HD2 LYS 19 far 3 66 5 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 3 64 5 - 7.2-28.2 HE3 LYS 31 - HD3 LYS 19 far 3 60 5 - 6.8-28.0 HE2 LYS 36 - HD3 LYS 31 far 0 99 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 95 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 97 0 - 7.7-13.6 HB3 ASN 121 - HD3 LYS 95 far 0 90 0 - 7.9-10.8 HE2 LYS 31 - HD3 LYS 36 far 0 95 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 69 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 97 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 96 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 62 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 99 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 59 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 92 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 67 0 - 8.6-36.9 HB3 ASN 121 - HD2 LYS 95 far 0 83 0 - 8.7-10.6 HE3 LYS 24 - HD3 LYS 19 far 0 53 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 95 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 58 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 87 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 100 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 95 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 66 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 85 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 100 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 64 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 70 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 60 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 671 from aliabs.peaks (4.27, 2.96, 41.80 ppm; 6.80 A): 20 out of 98 assignments used, quality = 1.00: * HA LYS 26 + HE2 LYS 26 OK 100 100 100 100 3.7-6.4 6.6=100 HA LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-5.2 6.5=100 HA LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.0-6.3 6.6=100 HA LYS 19 + HE3 LYS 19 OK 100 100 100 100 4.9-6.3 6.4=100 HA LYS 19 + HE2 LYS 19 OK 100 100 100 100 5.1-6.2 6.4=100 HA LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-5.9 6.5=100 HA LYS 36 + HE3 LYS 36 OK 90 90 100 100 5.0-6.5 6.0=100 HA LYS 36 + HE2 LYS 36 OK 90 90 100 100 5.2-6.5 6.0=100 HA THR 25 + HE2 LYS 26 OK 76 78 100 97 4.4-6.6 11150/3.6=68...(7) HA THR 25 + HE3 LYS 26 OK 75 77 100 97 3.5-5.7 11150/3.6=68, 9587=58...(7) HA PHE 87 + HE3 LYS 86 OK 70 71 100 98 4.1-7.3 4.9/11332=62...(10) HA LEU 22 + HE2 LYS 24 OK 57 98 95 61 2.6-9.0 11967/4.0=25...(8) HA LEU 22 + HE3 LYS 24 OK 52 86 95 63 3.2-7.5 11967/4.0=25...(8) HA THR 18 + HE2 LYS 19 OK 50 94 55 98 5.5-8.1 ~10696=74, ~10692=71...(7) HA THR 18 + HE3 LYS 19 OK 46 94 50 98 5.2-8.0 ~10696=74, ~10692=71...(7) HA ARG 23 + HE2 LYS 24 OK 43 94 55 82 5.3-8.2 424/7.4=62, 833/4.0=14...(15) HA ARG 23 + HE3 LYS 24 OK 40 82 60 83 4.4-8.2 424/7.4=62, 833/4.0=14...(15) HA GLN 27 + HE3 LYS 26 OK 32 80 55 74 2.9-8.6 ~6266=33, ~6267=33...(10) HA GLN 27 + HE2 LYS 26 OK 30 81 50 74 2.1-8.9 ~6266=33, ~6267=33...(10) HA ALA 28 + HE2 LYS 26 OK 22 73 50 59 4.7-9.5 ~10771=29, 10776/9008=11...(9) HA ALA 21 - HE3 LYS 24 poor 18 50 35 - 3.4-10.6 HA ALA 28 - HE3 LYS 26 poor 16 72 40 55 5.1-9.5 ~10771=29, 10776/9008=11...(9) HA LYS 31 - HE2 LYS 26 far 15 100 15 - 6.4-11.5 HA THR 25 - HE2 LYS 24 poor 15 74 20 - 6.4-9.3 HA ARG 23 - HE2 LYS 26 far 15 97 15 - 6.5-11.3 HA ARG 23 - HE3 LYS 26 far 14 97 15 - 5.5-9.8 HA LYS 31 - HE3 LYS 26 far 10 100 10 - 6.8-12.3 HA LYS 19 - HE2 LYS 24 far 10 98 10 - 5.8-13.5 HA THR 25 - HE3 LYS 24 far 9 62 15 - 6.6-9.1 HA LYS 19 - HE3 LYS 24 far 9 86 10 - 5.0-13.6 HA THR 18 - HE3 LYS 24 far 8 78 10 - 6.6-13.8 HA ARG 84 - HE3 LYS 86 far 7 48 15 - 6.6-8.1 HA ALA 16 - HE3 LYS 19 lone 6 98 50 12 2.8-10.3 7131/7.3=2, 11966/10705=2 HA ALA 16 - HE2 LYS 19 lone 5 98 45 12 2.4-9.8 7131/7.3=2, 11966/10705=2 HA LEU 22 - HE2 LYS 26 far 5 100 5 - 6.9-15.6 HA LYS 19 - HE2 LYS 31 far 5 100 5 - 7.1-26.6 HA LEU 22 - HE3 LYS 26 far 5 100 5 - 6.5-14.0 HA PHE 87 - HE3 LYS 19 far 5 100 5 - 7.2-42.2 HA ALA 16 - HE2 LYS 31 far 5 99 5 - 6.9-30.4 HA LYS 19 - HE3 LYS 31 far 5 98 5 - 6.3-26.2 HA ARG 23 - HE2 LYS 31 far 5 97 5 - 5.0-20.1 HA ARG 23 - HE3 LYS 31 far 5 94 5 - 5.8-19.4 HA LYS 36 - HE2 LYS 26 far 5 90 5 - 4.3-11.5 HA LYS 36 - HE3 LYS 26 far 4 89 5 - 5.8-13.1 HA ALA 12 - HE2 LYS 31 far 4 89 5 - 7.0-40.4 HA ALA 12 - HE2 LYS 19 far 4 88 5 - 6.0-22.2 HA ALA 12 - HE3 LYS 19 far 4 88 5 - 6.5-22.7 HA ALA 12 - HE3 LYS 31 far 4 84 5 - 6.1-40.4 HA SER 74 - HE3 LYS 19 far 4 82 5 - 5.2-36.6 HA SER 74 - HE2 LYS 19 far 4 82 5 - 5.8-36.2 HA ALA 21 - HE3 LYS 31 far 3 61 5 - 7.2-25.5 HA ALA 21 - HE3 LYS 86 far 2 39 5 - 6.1-29.7 HA ALA 15 - HE2 LYS 19 lone 1 96 35 3 3.3-12.8 HA ALA 21 - HE2 LYS 24 lone 1 61 40 4 4.2-11.2 HA ALA 15 - HE3 LYS 19 lone 1 96 30 3 4.2-13.5 HA LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-9.6 HA LYS 26 - HE3 LYS 31 far 0 98 0 - 7.5-15.0 HA SER 74 - HE3 LYS 86 far 0 52 0 - 7.5-9.7 HA THR 18 - HE2 LYS 24 far 0 91 0 - 7.6-15.0 HA LYS 31 - HE2 LYS 36 far 0 100 0 - 7.6-9.8 HA ALA 21 - HE3 LYS 19 far 0 64 0 - 7.6-10.3 HA LEU 22 - HE3 LYS 86 far 0 71 0 - 7.9-26.6 HA THR 18 - HE3 LYS 86 far 0 63 0 - 7.9-33.5 HA ALA 12 - HE3 LYS 86 far 0 57 0 - 8.1-39.4 HA THR 18 - HE3 LYS 26 far 0 94 0 - 8.2-19.3 HA LYS 26 - HE2 LYS 31 far 0 100 0 - 8.2-15.4 HA ALA 21 - HE2 LYS 31 far 0 65 0 - 8.2-26.1 HA THR 18 - HE3 LYS 31 far 0 91 0 - 8.3-28.4 HA ALA 16 - HE3 LYS 31 far 0 96 0 - 8.4-30.7 HA ALA 21 - HE3 LYS 26 far 0 64 0 - 8.4-15.9 HA ALA 15 - HE3 LYS 86 far 0 65 0 - 8.5-39.8 HA PHE 87 - HE2 LYS 19 far 0 100 0 - 8.5-42.1 HA LYS 26 - HE3 LYS 24 far 0 87 0 - 8.6-11.9 HA ALA 21 - HE2 LYS 19 far 0 64 0 - 8.7-10.4 HA LYS 31 - HE3 LYS 19 far 0 100 0 - 8.7-28.4 HA THR 25 - HE2 LYS 19 far 0 77 0 - 8.8-18.5 HA GLN 27 - HE2 LYS 19 far 0 80 0 - 8.8-22.4 HA THR 25 - HE3 LYS 19 far 0 77 0 - 8.8-18.9 HA THR 18 - HE2 LYS 26 far 0 95 0 - 9.0-20.9 HA ALA 21 - HE2 LYS 26 far 0 65 0 - 9.0-17.3 HA ALA 15 - HE2 LYS 31 far 0 97 0 - 9.0-31.5 HA LEU 22 - HE3 LYS 31 far 0 98 0 - 9.0-24.6 HA ARG 23 - HE3 LYS 19 far 0 97 0 - 9.0-13.3 HA LEU 22 - HE2 LYS 31 far 0 100 0 - 9.1-24.1 HA ARG 23 - HE2 LYS 19 far 0 97 0 - 9.2-14.1 HA LYS 26 - HE2 LYS 24 far 0 98 0 - 9.3-11.8 HA LYS 19 - HE3 LYS 86 far 0 71 0 - 9.3-33.7 HA ALA 16 - HE3 LYS 86 far 0 68 0 - 9.5-38.9 HA LEU 22 - HE3 LYS 19 far 0 100 0 - 9.5-13.0 HA LYS 19 - HE3 LYS 26 far 0 100 0 - 9.6-19.2 HA SER 74 - HE3 LYS 24 far 0 66 0 - 9.6-24.1 HA LYS 26 - HE2 LYS 19 far 0 100 0 - 9.6-18.3 HA ARG 84 - HE3 LYS 19 far 0 77 0 - 9.7-44.8 HA THR 18 - HE2 LYS 31 far 0 95 0 - 9.7-28.5 HA LEU 22 - HE2 LYS 19 far 0 100 0 - 9.9-12.7 HA SER 74 - HE3 LYS 26 far 0 82 0 - 9.9-17.7 HA ARG 84 - HE2 LYS 19 far 0 77 0 - 9.9-44.9 HA LYS 31 - HE2 LYS 19 far 0 100 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 672 from aliabs.peaks (1.75, 2.96, 41.80 ppm; 6.80 A): 10 out of 44 assignments used, quality = 1.00: * HB2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 4.2-5.5 4.8=100 HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-5.5 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.5-5.0 4.8=100 HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.5-4.5 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.9-4.6 5.1=100 HB2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 3.6-5.5 5.1=100 HB2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 3.0-5.1 4.8=100 HB2 LYS 24 + HE3 LYS 24 OK 87 87 100 100 2.2-5.4 5.1=100 HB ILE 80 + HE3 LYS 86 OK 66 66 100 100 2.0-5.4 ~11777=90, ~11877=89...(20) HG3 ARG 90 + HE3 LYS 86 OK 57 68 85 99 3.7-8.7 9651/9655=91...(6) HB2 ARG 23 - HE3 LYS 24 poor 17 84 20 - 6.2-9.9 HB2 ARG 23 - HE2 LYS 24 poor 15 96 35 45 5.6-10.2 4.2/2703=9, ~3938=7...(19) HB2 ARG 23 - HE2 LYS 26 far 10 99 10 - 5.5-13.0 HB2 ARG 23 - HE3 LYS 26 far 10 98 10 - 5.2-11.7 HB2 LYS 26 - HE2 LYS 31 far 5 100 5 - 6.8-15.8 HB2 LYS 19 - HE2 LYS 31 far 5 100 5 - 7.3-27.4 HB2 ARG 23 - HE2 LYS 31 far 5 99 5 - 4.8-21.9 HG3 ARG 90 - HE3 LYS 19 far 5 98 5 - 4.1-39.0 HG3 ARG 90 - HE2 LYS 19 far 5 98 5 - 4.9-38.8 HB2 LYS 26 - HE3 LYS 31 far 5 98 5 - 6.6-15.7 HB2 LYS 19 - HE3 LYS 31 far 5 98 5 - 6.4-27.0 HB ILE 80 - HE3 LYS 19 far 5 97 5 - 6.5-38.3 HB2 ARG 23 - HE3 LYS 31 far 5 96 5 - 4.8-21.0 HB2 LYS 19 - HE3 LYS 24 far 4 87 5 - 6.8-15.7 HB2 LYS 31 - HE3 LYS 26 lone 2 100 25 8 4.4-12.1 6331/6337=2, 294/3.0=1 HB2 LYS 31 - HE2 LYS 26 lone 2 100 25 8 4.9-11.4 6331/6338=2, 294/3.0=1 HB2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.4-9.9 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 7.5-17.7 HB2 LYS 19 - HE2 LYS 24 far 0 98 0 - 7.8-15.4 HB2 LYS 24 - HE2 LYS 19 far 0 100 0 - 7.8-17.5 HB2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.9-25.8 HB2 ARG 23 - HE3 LYS 19 far 0 98 0 - 7.9-12.3 HB2 ARG 23 - HE3 LYS 86 far 0 69 0 - 8.0-27.8 HB ILE 80 - HE2 LYS 19 far 0 97 0 - 8.2-38.1 HB2 LYS 19 - HE3 LYS 86 far 0 71 0 - 8.3-35.8 HB2 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-10.9 HB2 LYS 31 - HE2 LYS 24 far 0 98 0 - 8.4-21.1 HB2 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.4-24.2 HB2 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-11.9 HB2 ARG 23 - HE2 LYS 19 far 0 98 0 - 8.5-13.2 HB2 LYS 19 - HE3 LYS 26 far 0 100 0 - 8.5-20.9 HB2 LYS 31 - HE2 LYS 36 far 0 100 0 - 8.8-11.9 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.3-21.9 HB2 LYS 31 - HE3 LYS 24 far 0 87 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 673 from aliabs.peaks (1.81, 2.96, 41.80 ppm; 5.94 A): 13 out of 63 assignments used, quality = 1.00: * HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 3.6-5.0 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.8-4.2 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.5-4.5 4.9=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-5.3 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.7-4.6 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.0 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 3.2-5.4 5.1=100 HB3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 3.3-5.4 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.2-5.0 4.8=100 HB ILE 32 + HE2 LYS 26 OK 95 100 95 100 4.9-6.6 2.1/10766=80, 10825=61...(43) HB3 LYS 24 + HE3 LYS 24 OK 87 87 100 100 2.4-4.6 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 50 50 100 100 1.8-3.6 4.9=100 HB ILE 32 + HE3 LYS 26 OK 25 99 25 100 4.6-7.5 ~10766=72, ~10840=71...(55) HB3 ARG 23 - HE2 LYS 24 far 15 98 15 - 4.7-9.9 HB3 ARG 23 - HE3 LYS 24 far 13 86 15 - 6.1-9.9 HB3 ARG 23 - HE2 LYS 26 far 10 100 10 - 4.6-12.5 HB3 LYS 31 - HE2 LYS 26 far 10 100 10 - 6.3-12.4 HB3 LYS 31 - HE3 LYS 26 far 10 100 10 - 6.0-13.3 HB2 LYS 36 - HE2 LYS 26 far 5 100 5 - 5.4-11.8 HB3 ARG 23 - HE3 LYS 26 far 5 100 5 - 3.7-11.8 HB3 ARG 23 - HE2 LYS 31 far 5 100 5 - 6.2-23.1 HB ILE 32 - HE2 LYS 31 far 5 100 5 - 6.3-10.3 HB3 LYS 19 - HE2 LYS 31 far 5 99 5 - 5.6-25.7 HB3 LYS 26 - HE3 LYS 31 far 5 98 5 - 6.5-14.0 HB3 ARG 23 - HE3 LYS 31 far 5 98 5 - 6.4-22.1 HB3 LYS 19 - HE3 LYS 31 far 5 96 5 - 4.9-25.2 HB3 LYS 19 - HE3 LYS 24 far 4 83 5 - 5.6-14.9 HB3 LYS 19 - HE2 LYS 24 far 0 96 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 60 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 69 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 100 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 68 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 98 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 80 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 100 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 94 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 98 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 100 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 94 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 99 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 91 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 80 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 98 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 63 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 92 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 71 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 100 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 100 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 100 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 98 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 91 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 100 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 71 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 91 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 75 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 674 from aliabs.peaks (1.43, 2.96, 41.80 ppm; 4.44 A): 12 out of 56 assignments used, quality = 1.00: * HG2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.7-4.1 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.8 3.6=100 HG3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.1-3.9 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.2-3.7 3.8=100 HG3 LYS 24 + HE2 LYS 24 OK 84 84 100 100 2.3-4.0 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 71 71 100 100 2.3-3.9 4.0=100 HG2 LYS 31 + HE2 LYS 31 OK 68 68 100 100 2.1-4.0 3.7=100 HG2 LYS 31 + HE3 LYS 31 OK 64 64 100 100 2.0-4.2 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 63 63 100 100 2.0-3.5 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 63 63 100 100 2.0-3.5 4.0=100 HG2 LYS 86 + HE3 LYS 86 OK 57 57 100 100 2.5-3.7 3.7=100 HG13 ILE 32 + HE2 LYS 26 OK 35 100 35 99 3.5-6.7 3.2/10766=55, ~10767=40...(40) HG13 ILE 32 - HE3 LYS 26 poor 20 100 20 - 4.5-7.4 QB ALA 34 - HE2 LYS 26 poor 15 90 60 28 3.1-7.1 908/10766=23, 6364/876=4 HG3 LYS 19 - HE3 LYS 31 far 5 96 5 - 4.4-25.7 QB ALA 34 - HE3 LYS 26 lone 2 89 25 10 4.0-7.8 908/10766=6, 6364/876=2 HG3 LYS 19 - HE2 LYS 31 far 0 99 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 69 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 67 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 68 0 - 6.5-13.4 HG2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.6-15.6 HG13 ILE 32 - HE2 LYS 31 far 0 100 0 - 6.7-10.1 HG2 LYS 86 - HE3 LYS 19 far 0 88 0 - 6.8-38.5 HG13 ILE 32 - HE3 LYS 31 far 0 98 0 - 6.9-10.1 HG2 LYS 26 - HE3 LYS 31 far 0 98 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 84 0 - 7.0-15.8 HG3 LYS 36 - HE2 LYS 26 far 0 63 0 - 7.1-13.4 QB ALA 34 - HE2 LYS 19 far 0 89 0 - 7.3-24.1 HG3 LYS 19 - HE3 LYS 26 far 0 98 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 68 0 - 7.4-12.4 QB ALA 34 - HE2 LYS 31 far 0 90 0 - 7.5-11.5 HG3 LYS 19 - HE2 LYS 26 far 0 99 0 - 7.6-21.0 QB ALA 34 - HE3 LYS 36 far 0 90 0 - 7.6-8.5 HG2 LYS 31 - HE3 LYS 19 far 0 67 0 - 7.7-26.4 QB ALA 34 - HE2 LYS 36 far 0 90 0 - 7.9-8.4 HG2 LYS 31 - HE2 LYS 36 far 0 68 0 - 8.0-11.8 QB ALA 34 - HE3 LYS 31 far 0 86 0 - 8.0-12.3 HG2 LYS 86 - HE2 LYS 19 far 0 88 0 - 8.4-38.3 HG2 LYS 31 - HE2 LYS 19 far 0 67 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 96 0 - 8.4-15.9 QB ALA 34 - HE3 LYS 19 far 0 89 0 - 8.5-24.4 HG3 LYS 24 - HE3 LYS 19 far 0 88 0 - 8.6-17.0 QB ALA 34 - HE3 LYS 86 far 0 58 0 - 8.7-11.0 HG3 LYS 36 - HE3 LYS 26 far 0 62 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 63 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 64 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 100 0 - 9.0-11.0 HG3 LYS 24 - HE2 LYS 19 far 0 88 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 88 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 100 0 - 9.4-11.1 QB ALA 92 - HE3 LYS 86 far 0 71 0 - 9.6-11.3 HG3 LYS 24 - HE2 LYS 26 far 0 89 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 59 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 57 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.8-14.5 QB ALA 34 - HE3 LYS 24 far 0 73 0 - 9.9-15.9 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 72 assignments used, quality = 1.00: * HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.3-3.8 3.6=100 HG2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 3.1-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.1-4.1 4.0=100 HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-4.2 3.7=100 HG3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-3.4 3.6=100 HG3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.0 3.7=100 HG2 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.1-4.1 4.0=100 HG2 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.1-4.1 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.8-3.7 3.8=100 HG2 LYS 24 + HE3 LYS 24 OK 86 86 100 100 2.0-4.2 4.0=100 QB ALA 15 - HE2 LYS 19 poor 20 100 20 - 3.9-11.9 QB ALA 15 - HE3 LYS 19 far 15 100 15 - 4.1-12.5 QB ALA 29 - HE2 LYS 26 far 10 100 10 - 3.3-7.6 QB ALA 29 - HE3 LYS 26 far 10 100 10 - 4.1-8.3 QB ALA 16 - HE2 LYS 31 far 5 97 5 - 3.9-25.9 HG2 LYS 19 - HE3 LYS 31 far 5 93 5 - 4.6-26.0 QB ALA 12 - HE2 LYS 31 far 4 78 5 - 4.1-33.9 QB ALA 12 - HE3 LYS 31 far 4 74 5 - 3.6-33.9 QB ALA 16 - HE2 LYS 19 lone 1 97 40 4 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 1 97 35 3 2.7-9.0 QB ALA 16 - HE3 LYS 31 far 0 94 0 - 5.2-26.1 QB ALA 15 - HE3 LYS 86 far 0 71 0 - 5.8-32.2 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 97 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 100 0 - 6.1-9.5 HG3 LYS 31 - HE3 LYS 36 far 0 100 0 - 6.3-11.5 QB ALA 12 - HE2 LYS 19 far 0 77 0 - 6.4-19.1 QB ALA 12 - HE3 LYS 19 far 0 77 0 - 6.5-19.6 HG2 LYS 19 - HE3 LYS 24 far 0 80 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 100 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 65 0 - 6.8-34.9 QB ALA 29 - HE3 LYS 36 far 0 100 0 - 6.9-10.3 QB ALA 29 - HE2 LYS 36 far 0 100 0 - 7.1-9.7 HG2 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 100 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 100 0 - 7.5-22.4 QB ALA 29 - HE3 LYS 31 far 0 98 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.7-28.1 QB ALA 28 - HE2 LYS 31 far 0 100 0 - 7.8-11.0 QB ALA 28 - HE3 LYS 24 far 0 86 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 93 0 - 8.0-15.1 QB ALA 28 - HE3 LYS 31 far 0 98 0 - 8.0-11.2 QB ALA 12 - HE3 LYS 86 far 0 48 0 - 8.1-32.9 HG3 LYS 31 - HE2 LYS 24 far 0 98 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 100 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 100 0 - 8.3-23.7 HG3 LYS 26 - HE3 LYS 31 far 0 98 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 99 0 - 8.6-26.5 HG2 LYS 24 - HE3 LYS 26 far 0 99 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 96 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 98 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 100 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 100 0 - 9.1-20.4 QB ALA 16 - HE2 LYS 24 far 0 94 0 - 9.1-18.0 QB ALA 15 - HE2 LYS 31 far 0 100 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 99 0 - 9.3-15.5 QB ALA 12 - HE2 LYS 36 far 0 78 0 - 9.4-36.4 QB ALA 16 - HE3 LYS 86 far 0 66 0 - 9.6-34.1 HG2 LYS 36 - HE2 LYS 31 far 0 100 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 100 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 99 0 - 9.7-15.4 QB ALA 12 - HE3 LYS 36 far 0 78 0 - 9.7-37.6 HG3 LYS 26 - HE3 LYS 19 far 0 100 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 86 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 100 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 87 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 98 0 - 9.9-12.6 HG2 LYS 24 - HE3 LYS 31 far 0 97 0 - 10.0-22.2 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 74 assignments used, quality = 1.00: * HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-2.9 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 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 26 + HE2 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 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.3-3.0 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 + HE3 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 HD3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 85 85 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.8-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 69 69 100 100 2.4-2.9 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 99 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 100 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 99 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 99 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 93 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 95 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 97 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 48 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 98 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 70 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 98 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 98 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 100 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 65 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 54 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 83 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 98 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 67 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 80 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 100 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 99 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 77 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 95 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 77 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 99 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 96 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 93 0 - 9.9-17.4 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 74 assignments used, quality = 1.00: * HD3 LYS 26 + HE2 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 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-2.9 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 2.3-3.0 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 2.3-3.0 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 2.3-3.0 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 + HE3 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 92 92 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 69 69 100 100 2.8-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 67 67 100 100 2.4-2.9 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 97 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 99 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 98 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 97 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 98 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 99 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 89 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 92 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 93 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 43 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 98 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 71 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 98 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 100 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 61 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 48 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 79 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 98 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 64 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 76 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 100 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 97 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 70 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 92 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 70 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 97 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 92 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 95 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 89 0 - 9.9-17.4 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): 20 out of 98 assignments used, quality = 1.00: * HA LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.0-6.3 6.6=100 HA LYS 26 + HE2 LYS 26 OK 100 100 100 100 3.7-6.4 6.6=100 HA LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-5.2 6.5=100 HA LYS 19 + HE3 LYS 19 OK 98 98 100 100 4.9-6.3 6.4=100 HA LYS 19 + HE2 LYS 19 OK 98 98 100 100 5.1-6.2 6.4=100 HA LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.0-5.9 6.5=100 HA LYS 36 + HE3 LYS 36 OK 90 90 100 100 5.0-6.5 6.0=100 HA LYS 36 + HE2 LYS 36 OK 90 90 100 100 5.2-6.5 6.0=100 HA THR 25 + HE3 LYS 26 OK 76 78 100 97 3.5-5.7 11150/3.6=68, 9587=57...(7) HA THR 25 + HE2 LYS 26 OK 75 77 100 97 4.4-6.6 11150/3.6=68...(7) HA PHE 87 + HE3 LYS 86 OK 66 67 100 98 4.1-7.3 11288/4.9=61...(10) HA LEU 22 + HE2 LYS 24 OK 54 94 95 61 2.6-9.0 11967/4.0=25...(8) HA THR 18 + HE2 LYS 19 OK 49 91 55 98 5.5-8.1 ~10696=74, ~10692=71...(7) HA LEU 22 + HE3 LYS 24 OK 46 77 95 63 3.2-7.5 11967/4.0=25...(8) HA THR 18 + HE3 LYS 19 OK 44 91 50 98 5.2-8.0 ~10696=74, ~10692=71...(7) HA ARG 23 + HE2 LYS 24 OK 40 89 55 82 5.3-8.2 424/7.4=62, 833/4.0=14...(15) HA ARG 23 + HE3 LYS 24 OK 36 72 60 83 4.4-8.2 424/7.4=62, 833/4.0=14...(15) HA GLN 27 + HE3 LYS 26 OK 33 81 55 74 2.9-8.6 ~6266=33, ~6267=33...(10) HA GLN 27 + HE2 LYS 26 OK 29 80 50 74 2.1-8.9 ~6266=33, ~6267=33...(10) HA ALA 28 + HE2 LYS 26 OK 21 72 50 59 4.7-9.5 ~10771=29, 10776/9008=11...(9) HA ALA 28 - HE3 LYS 26 poor 16 73 40 54 5.1-9.5 ~10771=29, 10776/9008=11...(8) HA ALA 21 - HE3 LYS 24 poor 15 43 35 - 3.4-10.6 HA LYS 31 - HE2 LYS 26 far 15 100 15 - 6.4-11.5 HA ARG 23 - HE3 LYS 26 far 15 97 15 - 5.5-9.8 HA ARG 23 - HE2 LYS 26 far 14 97 15 - 6.5-11.3 HA THR 25 - HE2 LYS 24 poor 14 69 20 - 6.4-9.3 HA LYS 31 - HE3 LYS 26 far 10 100 10 - 6.8-12.3 HA LYS 19 - HE2 LYS 24 far 9 94 10 - 5.8-13.5 HA THR 25 - HE3 LYS 24 far 8 53 15 - 6.6-9.1 HA LYS 19 - HE3 LYS 24 far 8 77 10 - 5.0-13.6 HA THR 18 - HE3 LYS 24 far 7 68 10 - 6.6-13.8 HA ARG 84 - HE3 LYS 86 far 7 45 15 - 6.6-8.1 HA ALA 16 - HE3 LYS 19 lone 6 96 50 11 2.8-10.3 7131/7.3=2, 11966/10705=2 HA ALA 16 - HE2 LYS 19 lone 5 96 45 12 2.4-9.8 7131/7.3=2, 11966/10705=2 HA LEU 22 - HE3 LYS 26 far 5 100 5 - 6.5-14.0 HA LEU 22 - HE2 LYS 26 far 5 100 5 - 6.9-15.6 HA LYS 19 - HE2 LYS 31 far 5 100 5 - 7.1-26.6 HA ALA 16 - HE2 LYS 31 far 5 98 5 - 6.9-30.4 HA PHE 87 - HE3 LYS 19 far 5 98 5 - 7.2-42.2 HA ARG 23 - HE2 LYS 31 far 5 97 5 - 5.0-20.1 HA LYS 19 - HE3 LYS 31 far 5 94 5 - 6.3-26.2 HA LYS 36 - HE3 LYS 26 far 5 90 5 - 5.8-13.1 HA LYS 36 - HE2 LYS 26 far 4 89 5 - 4.3-11.5 HA ARG 23 - HE3 LYS 31 far 4 89 5 - 5.8-19.4 HA ALA 12 - HE2 LYS 31 far 4 88 5 - 7.0-40.4 HA ALA 12 - HE2 LYS 19 far 4 84 5 - 6.0-22.2 HA ALA 12 - HE3 LYS 19 far 4 84 5 - 6.5-22.7 HA ALA 12 - HE3 LYS 31 far 4 79 5 - 6.1-40.4 HA SER 74 - HE3 LYS 19 far 4 78 5 - 5.2-36.6 HA SER 74 - HE2 LYS 19 far 4 78 5 - 5.8-36.2 HA ALA 21 - HE3 LYS 31 far 3 57 5 - 7.2-25.5 HA ALA 21 - HE3 LYS 86 far 2 37 5 - 6.1-29.7 HA ALA 15 - HE2 LYS 19 lone 1 93 35 3 3.3-12.8 HA ALA 21 - HE2 LYS 24 lone 1 57 40 4 4.2-11.2 HA ALA 15 - HE3 LYS 19 lone 1 93 30 3 4.2-13.5 HA LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-9.6 HA LYS 26 - HE3 LYS 31 far 0 94 0 - 7.5-15.0 HA SER 74 - HE3 LYS 86 far 0 49 0 - 7.5-9.7 HA THR 18 - HE2 LYS 24 far 0 85 0 - 7.6-15.0 HA LYS 31 - HE2 LYS 36 far 0 100 0 - 7.6-9.8 HA ALA 21 - HE3 LYS 19 far 0 61 0 - 7.6-10.3 HA LEU 22 - HE3 LYS 86 far 0 67 0 - 7.9-26.6 HA THR 18 - HE3 LYS 86 far 0 59 0 - 7.9-33.5 HA ALA 12 - HE3 LYS 86 far 0 54 0 - 8.1-39.4 HA THR 18 - HE3 LYS 26 far 0 95 0 - 8.2-19.3 HA LYS 26 - HE2 LYS 31 far 0 100 0 - 8.2-15.4 HA ALA 21 - HE2 LYS 31 far 0 64 0 - 8.2-26.1 HA THR 18 - HE3 LYS 31 far 0 85 0 - 8.3-28.4 HA ALA 16 - HE3 LYS 31 far 0 91 0 - 8.4-30.7 HA ALA 21 - HE3 LYS 26 far 0 65 0 - 8.4-15.9 HA ALA 15 - HE3 LYS 86 far 0 61 0 - 8.5-39.8 HA PHE 87 - HE2 LYS 19 far 0 98 0 - 8.5-42.1 HA LYS 26 - HE3 LYS 24 far 0 77 0 - 8.6-11.9 HA ALA 21 - HE2 LYS 19 far 0 61 0 - 8.7-10.4 HA LYS 31 - HE3 LYS 19 far 0 98 0 - 8.7-28.4 HA THR 25 - HE2 LYS 19 far 0 74 0 - 8.8-18.5 HA GLN 27 - HE2 LYS 19 far 0 76 0 - 8.8-22.4 HA THR 25 - HE3 LYS 19 far 0 74 0 - 8.8-18.9 HA THR 18 - HE2 LYS 26 far 0 94 0 - 9.0-20.9 HA ALA 21 - HE2 LYS 26 far 0 64 0 - 9.0-17.3 HA ALA 15 - HE2 LYS 31 far 0 96 0 - 9.0-31.5 HA LEU 22 - HE3 LYS 31 far 0 94 0 - 9.0-24.6 HA ARG 23 - HE3 LYS 19 far 0 94 0 - 9.0-13.3 HA LEU 22 - HE2 LYS 31 far 0 100 0 - 9.1-24.1 HA ARG 23 - HE2 LYS 19 far 0 94 0 - 9.2-14.1 HA LYS 26 - HE2 LYS 24 far 0 94 0 - 9.3-11.8 HA LYS 19 - HE3 LYS 86 far 0 67 0 - 9.3-33.7 HA ALA 16 - HE3 LYS 86 far 0 64 0 - 9.5-38.9 HA LEU 22 - HE3 LYS 19 far 0 98 0 - 9.5-13.0 HA LYS 19 - HE3 LYS 26 far 0 100 0 - 9.6-19.2 HA SER 74 - HE3 LYS 24 far 0 57 0 - 9.6-24.1 HA LYS 26 - HE2 LYS 19 far 0 98 0 - 9.6-18.3 HA ARG 84 - HE3 LYS 19 far 0 74 0 - 9.7-44.8 HA THR 18 - HE2 LYS 31 far 0 94 0 - 9.7-28.5 HA LEU 22 - HE2 LYS 19 far 0 98 0 - 9.9-12.7 HA SER 74 - HE3 LYS 26 far 0 83 0 - 9.9-17.7 HA ARG 84 - HE2 LYS 19 far 0 74 0 - 9.9-44.9 HA LYS 31 - HE2 LYS 19 far 0 98 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 683 from aliabs.peaks (1.75, 2.96, 41.80 ppm; 6.80 A): 10 out of 44 assignments used, quality = 1.00: * HB2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.5-5.0 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 4.2-5.5 4.8=100 HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-5.5 4.8=100 HB2 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.5-4.5 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.9-4.6 5.1=100 HB2 LYS 24 + HE2 LYS 24 OK 94 94 100 100 3.6-5.5 5.1=100 HB2 LYS 31 + HE3 LYS 31 OK 94 94 100 100 3.0-5.1 4.8=100 HB2 LYS 24 + HE3 LYS 24 OK 77 77 100 100 2.2-5.4 5.1=100 HB ILE 80 + HE3 LYS 86 OK 62 62 100 100 2.0-5.4 ~11777=90, ~11877=89...(20) HG3 ARG 90 + HE3 LYS 86 OK 54 64 85 99 3.7-8.7 9651/9655=88...(6) HB2 ARG 23 - HE3 LYS 24 poor 15 74 20 - 6.2-9.9 HB2 ARG 23 - HE2 LYS 24 poor 14 92 35 45 5.6-10.2 4.2/2703=9, ~3938=7...(19) HB2 ARG 23 - HE3 LYS 26 far 10 99 10 - 5.2-11.7 HB2 ARG 23 - HE2 LYS 26 far 10 98 10 - 5.5-13.0 HB2 LYS 26 - HE2 LYS 31 far 5 100 5 - 6.8-15.8 HB2 LYS 19 - HE2 LYS 31 far 5 100 5 - 7.3-27.4 HB2 ARG 23 - HE2 LYS 31 far 5 98 5 - 4.8-21.9 HG3 ARG 90 - HE3 LYS 19 far 5 96 5 - 4.1-39.0 HG3 ARG 90 - HE2 LYS 19 far 5 96 5 - 4.9-38.8 HB ILE 80 - HE3 LYS 19 far 5 94 5 - 6.5-38.3 HB2 LYS 26 - HE3 LYS 31 far 5 94 5 - 6.6-15.7 HB2 LYS 19 - HE3 LYS 31 far 5 94 5 - 6.4-27.0 HB2 ARG 23 - HE3 LYS 31 far 5 92 5 - 4.8-21.0 HB2 LYS 19 - HE3 LYS 24 far 4 77 5 - 6.8-15.7 HB2 LYS 31 - HE3 LYS 26 lone 2 100 25 8 4.4-12.1 6331/6337=2, 294/3.0=1 HB2 LYS 31 - HE2 LYS 26 lone 2 100 25 8 4.9-11.4 6331/6338=2, 294/3.0=1 HB2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.4-9.9 HB2 LYS 24 - HE3 LYS 19 far 0 98 0 - 7.5-17.7 HB2 LYS 19 - HE2 LYS 24 far 0 94 0 - 7.8-15.4 HB2 LYS 24 - HE2 LYS 19 far 0 98 0 - 7.8-17.5 HB2 LYS 31 - HE3 LYS 19 far 0 98 0 - 7.9-25.8 HB2 ARG 23 - HE3 LYS 19 far 0 96 0 - 7.9-12.3 HB2 ARG 23 - HE3 LYS 86 far 0 65 0 - 8.0-27.8 HB ILE 80 - HE2 LYS 19 far 0 94 0 - 8.2-38.1 HB2 LYS 19 - HE3 LYS 86 far 0 67 0 - 8.3-35.8 HB2 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-10.9 HB2 LYS 31 - HE2 LYS 24 far 0 94 0 - 8.4-21.1 HB2 LYS 31 - HE2 LYS 19 far 0 98 0 - 8.4-24.2 HB2 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-11.9 HB2 ARG 23 - HE2 LYS 19 far 0 96 0 - 8.5-13.2 HB2 LYS 19 - HE3 LYS 26 far 0 100 0 - 8.5-20.9 HB2 LYS 31 - HE2 LYS 36 far 0 100 0 - 8.8-11.9 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.3-21.9 HB2 LYS 31 - HE3 LYS 24 far 0 77 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 684 from aliabs.peaks (1.81, 2.96, 41.80 ppm; 5.86 A): 12 out of 63 assignments used, quality = 1.00: * HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.7-4.6 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.8-4.2 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.5-4.5 4.9=100 HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 3.6-5.0 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-5.3 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 3.2-5.4 5.1=100 HB3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 3.3-5.4 5.1=100 HB ILE 32 + HE2 LYS 26 OK 94 99 95 100 4.9-6.6 2.1/10840=80...(43) HB3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.0-5.0 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.2-5.0 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 77 77 100 100 2.4-4.6 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 47 47 100 100 1.8-3.6 4.9=100 HB ILE 32 - HE3 LYS 26 poor 20 100 20 - 4.6-7.5 HB3 ARG 23 - HE2 LYS 24 far 14 94 15 - 4.7-9.9 HB3 ARG 23 - HE3 LYS 24 far 11 77 15 - 6.1-9.9 HB3 LYS 31 - HE3 LYS 26 far 10 100 10 - 6.0-13.3 HB3 ARG 23 - HE2 LYS 26 far 10 100 10 - 4.6-12.5 HB3 ARG 23 - HE3 LYS 26 far 5 100 5 - 3.7-11.8 HB2 LYS 36 - HE2 LYS 26 far 5 100 5 - 5.4-11.8 HB3 ARG 23 - HE2 LYS 31 far 5 100 5 - 6.2-23.1 HB3 LYS 31 - HE2 LYS 26 far 5 100 5 - 6.3-12.4 HB ILE 32 - HE2 LYS 31 far 5 99 5 - 6.3-10.3 HB3 LYS 19 - HE2 LYS 31 far 5 98 5 - 5.6-25.7 HB3 ARG 23 - HE3 LYS 31 far 5 94 5 - 6.4-22.1 HB3 LYS 19 - HE3 LYS 31 far 5 91 5 - 4.9-25.2 HB3 LYS 19 - HE3 LYS 24 far 4 74 5 - 5.6-14.9 HB3 LYS 26 - HE3 LYS 31 far 0 94 0 - 6.5-14.0 HB3 LYS 19 - HE2 LYS 24 far 0 91 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 56 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 65 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 100 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 64 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 93 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 76 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 100 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 91 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 99 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 100 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 91 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 98 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 98 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 98 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 88 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 76 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 94 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 59 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 91 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 67 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 98 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 100 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 98 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 98 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 94 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 92 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 98 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 67 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 88 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 65 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 685 from aliabs.peaks (1.43, 2.96, 41.80 ppm; 4.41 A): 12 out of 56 assignments used, quality = 1.00: * HG2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.8 3.6=100 HG2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.7-4.1 3.6=100 HG3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.1-3.9 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.2-3.7 3.8=100 HG3 LYS 24 + HE2 LYS 24 OK 79 79 100 100 2.3-4.0 4.0=100 HG2 LYS 31 + HE2 LYS 31 OK 67 67 100 100 2.1-4.0 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 62 62 100 100 2.0-3.5 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 62 62 100 100 2.0-3.5 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 62 62 100 100 2.3-3.9 4.0=100 HG2 LYS 31 + HE3 LYS 31 OK 59 59 100 100 2.0-4.2 3.7=100 HG2 LYS 86 + HE3 LYS 86 OK 54 54 100 100 2.5-3.7 3.7=100 HG13 ILE 32 + HE2 LYS 26 OK 35 100 35 99 3.5-6.7 3.2/10766=55, ~10767=40...(40) HG13 ILE 32 - HE3 LYS 26 poor 20 100 20 - 4.5-7.4 QB ALA 34 - HE2 LYS 26 poor 15 89 60 28 3.1-7.1 908/10766=23, 6364/876=4 HG3 LYS 19 - HE3 LYS 31 far 5 92 5 - 4.4-25.7 QB ALA 34 - HE3 LYS 26 lone 2 90 25 10 4.0-7.8 908/10766=6, 6364/876=2 HG3 LYS 19 - HE2 LYS 31 far 0 98 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 65 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 68 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 67 0 - 6.5-13.4 HG2 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.6-15.6 HG13 ILE 32 - HE2 LYS 31 far 0 100 0 - 6.7-10.1 HG2 LYS 86 - HE3 LYS 19 far 0 84 0 - 6.8-38.5 HG13 ILE 32 - HE3 LYS 31 far 0 94 0 - 6.9-10.1 HG2 LYS 26 - HE3 LYS 31 far 0 94 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 74 0 - 7.0-15.8 HG3 LYS 36 - HE2 LYS 26 far 0 62 0 - 7.1-13.4 QB ALA 34 - HE2 LYS 19 far 0 86 0 - 7.3-24.1 HG3 LYS 19 - HE3 LYS 26 far 0 99 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 68 0 - 7.4-12.4 QB ALA 34 - HE2 LYS 31 far 0 89 0 - 7.5-11.5 HG3 LYS 19 - HE2 LYS 26 far 0 98 0 - 7.6-21.0 QB ALA 34 - HE3 LYS 36 far 0 90 0 - 7.6-8.5 HG2 LYS 31 - HE3 LYS 19 far 0 64 0 - 7.7-26.4 QB ALA 34 - HE2 LYS 36 far 0 90 0 - 7.9-8.4 HG2 LYS 31 - HE2 LYS 36 far 0 68 0 - 8.0-11.8 QB ALA 34 - HE3 LYS 31 far 0 81 0 - 8.0-12.3 HG2 LYS 86 - HE2 LYS 19 far 0 84 0 - 8.4-38.3 HG2 LYS 31 - HE2 LYS 19 far 0 64 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 92 0 - 8.4-15.9 QB ALA 34 - HE3 LYS 19 far 0 86 0 - 8.5-24.4 HG3 LYS 24 - HE3 LYS 19 far 0 84 0 - 8.6-17.0 QB ALA 34 - HE3 LYS 86 far 0 55 0 - 8.7-11.0 HG3 LYS 36 - HE3 LYS 26 far 0 63 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 62 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 59 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 100 0 - 9.0-11.0 HG3 LYS 24 - HE2 LYS 19 far 0 84 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 89 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 100 0 - 9.4-11.1 QB ALA 92 - HE3 LYS 86 far 0 67 0 - 9.6-11.3 HG3 LYS 24 - HE2 LYS 26 far 0 88 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 54 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 54 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.8-14.5 QB ALA 34 - HE3 LYS 24 far 0 64 0 - 9.9-15.9 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 72 assignments used, quality = 1.00: * HG3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-3.4 3.6=100 HG2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 3.1-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.1-4.1 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.3-3.8 3.6=100 HG3 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.1-4.2 3.7=100 HG3 LYS 31 + HE3 LYS 31 OK 93 93 100 100 2.0-4.0 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 93 93 100 100 2.1-4.1 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 93 93 100 100 2.8-3.7 3.8=100 HG2 LYS 24 + HE2 LYS 24 OK 93 93 100 100 2.1-4.1 4.0=100 HG2 LYS 24 + HE3 LYS 24 OK 76 76 100 100 2.0-4.2 4.0=100 QB ALA 15 - HE2 LYS 19 far 15 98 15 - 3.9-11.9 QB ALA 15 - HE3 LYS 19 far 15 98 15 - 4.1-12.5 QB ALA 29 - HE3 LYS 26 far 10 100 10 - 4.1-8.3 QB ALA 29 - HE2 LYS 26 far 10 100 10 - 3.3-7.6 QB ALA 16 - HE2 LYS 31 far 5 97 5 - 3.9-25.9 HG2 LYS 19 - HE3 LYS 31 far 4 88 5 - 4.6-26.0 QB ALA 12 - HE2 LYS 31 far 4 77 5 - 4.1-33.9 QB ALA 12 - HE3 LYS 31 far 3 69 5 - 3.6-33.9 QB ALA 16 - HE2 LYS 19 lone 1 94 40 3 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 1 94 35 3 2.7-9.0 QB ALA 16 - HE3 LYS 31 far 0 89 0 - 5.2-26.1 QB ALA 15 - HE3 LYS 86 far 0 67 0 - 5.8-32.2 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 99 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 100 0 - 6.1-9.5 HG3 LYS 31 - HE3 LYS 36 far 0 100 0 - 6.3-11.5 QB ALA 12 - HE2 LYS 19 far 0 74 0 - 6.4-19.1 QB ALA 12 - HE3 LYS 19 far 0 74 0 - 6.5-19.6 HG2 LYS 19 - HE3 LYS 24 far 0 71 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 100 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 61 0 - 6.8-34.9 QB ALA 29 - HE3 LYS 36 far 0 100 0 - 6.9-10.3 QB ALA 29 - HE2 LYS 36 far 0 100 0 - 7.1-9.7 HG2 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 100 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 100 0 - 7.5-22.4 QB ALA 29 - HE3 LYS 31 far 0 94 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 98 0 - 7.7-28.1 QB ALA 28 - HE2 LYS 31 far 0 100 0 - 7.8-11.0 QB ALA 28 - HE3 LYS 24 far 0 77 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 88 0 - 8.0-15.1 QB ALA 28 - HE3 LYS 31 far 0 94 0 - 8.0-11.2 QB ALA 12 - HE3 LYS 86 far 0 45 0 - 8.1-32.9 HG3 LYS 31 - HE2 LYS 24 far 0 93 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 100 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 100 0 - 8.3-23.7 HG3 LYS 26 - HE3 LYS 31 far 0 94 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 98 0 - 8.6-26.5 HG2 LYS 24 - HE3 LYS 26 far 0 100 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 97 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 94 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 100 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 98 0 - 9.1-20.4 QB ALA 16 - HE2 LYS 24 far 0 89 0 - 9.1-18.0 QB ALA 15 - HE2 LYS 31 far 0 100 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 97 0 - 9.3-15.5 QB ALA 12 - HE2 LYS 36 far 0 78 0 - 9.4-36.4 QB ALA 16 - HE3 LYS 86 far 0 62 0 - 9.6-34.1 HG2 LYS 36 - HE2 LYS 31 far 0 100 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 99 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.7-15.4 QB ALA 12 - HE3 LYS 36 far 0 78 0 - 9.7-37.6 HG3 LYS 26 - HE3 LYS 19 far 0 98 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 76 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 99 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 77 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 94 0 - 9.9-12.6 HG2 LYS 24 - HE3 LYS 31 far 0 93 0 - 10.0-22.2 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 74 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 2.3-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-2.9 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 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 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 31 + HE3 LYS 31 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 HD2 LYS 31 + HE3 LYS 31 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 93 93 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 75 75 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 67 67 100 100 2.8-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 65 65 100 100 2.4-2.9 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 97 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 98 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 98 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 98 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 97 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 94 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 98 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 88 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 90 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 45 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 94 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 66 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 94 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 100 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 61 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 50 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 73 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 94 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 63 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 71 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 100 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 99 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 74 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 90 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 74 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 97 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 88 0 - 9.9-17.4 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 74 assignments used, quality = 1.00: * HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 26 + HE2 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 2.2-2.9 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 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 93 93 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 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 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 + HE3 LYS 19 OK 89 89 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 73 73 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 65 65 100 100 2.8-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 63 63 100 100 2.4-2.9 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 95 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 97 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 96 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 98 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 96 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 95 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 94 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 97 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 84 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 87 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 92 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 40 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 94 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 67 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 94 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 95 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 100 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 58 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 99 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 45 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 70 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 94 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 60 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 67 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 100 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 67 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 87 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 67 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 95 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 93 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 96 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 84 0 - 9.9-17.4 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 2 assignments used, quality = 1.00: * HB2 GLN 27 + HA GLN 27 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 GLU 30 - HA GLN 27 far 0 68 0 - 4.3-7.6 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 1 assignment used, quality = 1.00: * HB3 GLN 27 + HA GLN 27 OK 100 100 100 100 2.6-3.0 3.0=100 Violated in 2 structures by 0.00 A. Peak 696 from aliabs.peaks (2.34, 4.25, 55.75 ppm; 3.68 A increased from 3.46 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 27 + HA GLN 27 OK 100 100 100 100 2.1-3.7 3.7=97, 6273/3.0=33...(13) HG3 GLN 27 + HA GLN 27 OK 100 100 100 100 2.8-4.2 3.7=97, 6274/3.0=29...(13) Violated in 0 structures by 0.00 A. Peak 697 from aliabs.peaks (2.34, 4.25, 55.75 ppm; 3.68 A increased from 3.46 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 27 + HA GLN 27 OK 100 100 100 100 2.8-4.2 3.7=97, 6274/3.0=29...(13) HG2 GLN 27 + HA GLN 27 OK 100 100 100 100 2.1-3.7 3.7=97, 6273/3.0=33...(13) Violated in 0 structures by 0.00 A. Peak 702 from aliabs.peaks (4.25, 1.96, 29.25 ppm; 3.53 A): 1 out of 7 assignments used, quality = 1.00: * HA GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.2-2.9 3.0=100 HA LEU 22 - HB2 GLN 27 far 4 87 5 - 3.0-16.2 HA LYS 26 - HB2 GLN 27 far 4 81 5 - 4.1-6.0 HA ALA 28 - HB2 GLN 27 far 0 100 0 - 4.7-6.4 HA ALA 29 - HB2 GLN 27 far 0 83 0 - 6.8-8.5 HA LYS 31 - HB2 GLN 27 far 0 76 0 - 7.1-11.1 HA LYS 19 - HB2 GLN 27 far 0 73 0 - 7.9-19.6 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 1 assignment used, quality = 1.00: * HB3 GLN 27 + HB2 GLN 27 OK 100 100 100 100 1.8-1.8 1.8=100 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 2 assignments used, quality = 1.00: * HG2 GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 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 2 assignments used, quality = 1.00: * HG3 GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 711 from aliabs.peaks (4.25, 2.06, 29.25 ppm; 3.57 A): 1 out of 7 assignments used, quality = 1.00: * HA GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.6-3.0 3.0=100 HA ALA 28 - HB3 GLN 27 far 15 100 15 - 3.8-5.5 HA LEU 22 - HB3 GLN 27 far 4 87 5 - 2.6-17.2 HA LYS 26 - HB3 GLN 27 far 0 81 0 - 4.5-6.5 HA ALA 29 - HB3 GLN 27 far 0 83 0 - 5.6-7.2 HA LYS 31 - HB3 GLN 27 far 0 76 0 - 5.9-10.7 HA LYS 19 - HB3 GLN 27 far 0 73 0 - 7.1-21.1 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 2 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 7 68 10 - 2.0-7.4 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 2 assignments used, quality = 1.00: * HG2 GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 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 2 assignments used, quality = 1.00: * HG3 GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 720 from aliabs.peaks (4.25, 2.34, 33.67 ppm; 3.82 A increased from 3.59 A): 3 out of 15 assignments used, quality = 1.00: * HA GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.1-3.7 3.7=100 HA GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.8-4.2 3.7=100 HA SER 124 + HG2 GLN 127 OK 36 96 40 94 2.7-6.0 4049/3.0=51...(11) HA LYS 26 - HG3 GLN 27 poor 16 80 20 - 4.0-7.5 HA ALA 29 - HG2 GLN 27 poor 11 83 25 53 3.9-7.3 ~10788=22...(8) HA ALA 29 - HG3 GLN 27 far 8 82 10 - 4.1-8.4 HA LYS 26 - HG2 GLN 27 poor 7 81 25 36 3.2-6.5 3.6/6273=30...(4) HA ALA 28 - HG2 GLN 27 far 5 100 5 - 4.3-6.6 HA LEU 22 - HG3 GLN 27 far 0 86 0 - 4.5-17.6 HA ALA 28 - HG3 GLN 27 far 0 100 0 - 4.6-7.1 HA LYS 31 - HG3 GLN 27 far 0 75 0 - 4.9-11.8 HA LEU 22 - HG2 GLN 27 far 0 87 0 - 5.3-16.1 HA LYS 31 - HG2 GLN 27 far 0 76 0 - 6.2-10.7 HA LYS 19 - HG3 GLN 27 far 0 73 0 - 7.1-19.2 HA LYS 19 - HG2 GLN 27 far 0 73 0 - 7.8-20.1 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 8 assignments used, quality = 1.00: * HB2 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 30 - HG3 GLN 27 poor 5 68 40 20 3.1-9.2 6297/4.9=9...(4) HB2 GLU 30 - HG2 GLN 27 far 3 68 5 - 3.7-8.2 HB3 LEU 53 - HG2 GLN 127 far 0 55 0 - 6.7-9.4 HG LEU 53 - HG2 GLN 127 far 0 55 0 - 6.9-9.7 HB3 LYS 95 - HG2 GLN 127 far 0 65 0 - 9.2-14.0 HB2 LYS 95 - HG2 GLN 127 far 0 57 0 - 9.3-13.3 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 6 assignments used, quality = 1.00: * HB3 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 127 + HG2 GLN 127 OK 86 86 100 100 2.3-2.8 3.0=100 HB2 GLU 128 - HG2 GLN 127 poor 14 83 40 43 3.0-7.2 3.6/7846=14, 3.0/4081=10...(9) HG3 GLN 134 - HG2 GLN 127 far 0 89 0 - 9.0-11.0 HG3 GLU 91 - HG2 GLN 127 far 0 57 0 - 9.9-16.5 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; 3.81 A increased from 3.59 A): 3 out of 15 assignments used, quality = 1.00: * HA GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.8-4.2 3.7=100 HA GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.1-3.7 3.7=100 HA SER 124 + HG2 GLN 127 OK 36 95 40 94 2.7-6.0 4049/3.0=51...(11) HA LYS 26 - HG3 GLN 27 poor 16 81 20 - 4.0-7.5 HA ALA 29 - HG2 GLN 27 poor 11 82 25 53 3.9-7.3 ~10788=22...(8) HA ALA 29 - HG3 GLN 27 far 8 83 10 - 4.1-8.4 HA LYS 26 - HG2 GLN 27 poor 7 80 25 36 3.2-6.5 3.6/6273=30...(4) HA ALA 28 - HG2 GLN 27 far 5 100 5 - 4.3-6.6 HA LEU 22 - HG3 GLN 27 far 0 87 0 - 4.5-17.6 HA ALA 28 - HG3 GLN 27 far 0 100 0 - 4.6-7.1 HA LYS 31 - HG3 GLN 27 far 0 76 0 - 4.9-11.8 HA LEU 22 - HG2 GLN 27 far 0 86 0 - 5.3-16.1 HA LYS 31 - HG2 GLN 27 far 0 75 0 - 6.2-10.7 HA LYS 19 - HG3 GLN 27 far 0 73 0 - 7.1-19.2 HA LYS 19 - HG2 GLN 27 far 0 73 0 - 7.8-20.1 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 8 assignments used, quality = 1.00: * HB2 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 30 - HG3 GLN 27 poor 6 68 40 20 3.1-9.2 6297/4.9=9...(4) HB2 GLU 30 - HG2 GLN 27 far 3 68 5 - 3.7-8.2 HB3 LEU 53 - HG2 GLN 127 far 0 54 0 - 6.7-9.4 HG LEU 53 - HG2 GLN 127 far 0 54 0 - 6.9-9.7 HB3 LYS 95 - HG2 GLN 127 far 0 64 0 - 9.2-14.0 HB2 LYS 95 - HG2 GLN 127 far 0 57 0 - 9.3-13.3 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 6 assignments used, quality = 1.00: * HB3 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 127 + HG2 GLN 127 OK 85 85 100 100 2.3-2.8 3.0=100 HB2 GLU 128 - HG2 GLN 127 poor 14 82 40 42 3.0-7.2 3.6/7846=14, 3.0/4081=9...(9) HG3 GLN 134 - HG2 GLN 127 far 0 88 0 - 9.0-11.0 HG3 GLU 91 - HG2 GLN 127 far 0 57 0 - 9.9-16.5 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): 2 out of 9 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 far 0 99 0 - 3.7-4.3 QB ALA 28 - HA ALA 29 far 0 69 0 - 4.1-5.1 HG3 LYS 26 - HA ALA 29 far 0 69 0 - 5.0-8.0 HG3 LYS 26 - HA ALA 28 far 0 100 0 - 5.4-8.4 HG3 LYS 31 - HA ALA 29 far 0 69 0 - 7.7-9.0 HG2 LYS 24 - HA ALA 28 far 0 99 0 - 9.0-15.1 HG2 LYS 36 - HA ALA 29 far 0 68 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 742 from aliabs.peaks (4.24, 1.38, 19.04 ppm; 2.50 A): 2 out of 29 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 LEU 22 - QB ALA 28 far 0 81 0 - 3.6-16.6 HA ALA 28 - QB ALA 29 far 0 98 0 - 3.7-4.3 HA GLN 27 - QB ALA 28 far 0 100 0 - 3.7-5.0 HB THR 115 - QB ALA 109 far 0 61 0 - 3.8-5.6 HA LYS 26 - QB ALA 28 far 0 73 0 - 3.8-7.7 HA GLU 30 - QB ALA 29 far 0 56 0 - 3.8-4.2 HA GLU 30 - QB ALA 28 far 0 60 0 - 3.9-4.7 HA ALA 29 - QB ALA 28 far 0 89 0 - 4.1-5.1 HA PHE 87 - QB ALA 15 far 0 67 0 - 4.5-35.2 HA GLN 27 - QB ALA 29 far 0 97 0 - 5.4-7.9 HA SER 94 - QB ALA 15 far 0 99 0 - 5.5-33.7 HA LYS 31 - QB ALA 29 far 0 64 0 - 5.5-6.6 HA LYS 26 - QB ALA 29 far 0 69 0 - 5.6-9.5 HA LYS 19 - QB ALA 16 far 0 59 0 - 6.1-9.7 HA LYS 31 - QB ALA 28 far 0 68 0 - 6.6-7.7 HA SER 94 - QB ALA 16 far 0 94 0 - 6.6-36.7 HA LYS 19 - QB ALA 15 far 0 64 0 - 6.9-12.4 HA LEU 22 - QB ALA 29 far 0 76 0 - 6.9-18.1 HB THR 115 - QB ALA 110 far 0 58 0 - 7.5-10.1 HA LYS 31 - QB ALA 16 far 0 61 0 - 7.9-25.4 HA PHE 87 - QB ALA 16 far 0 61 0 - 7.9-37.2 HB THR 115 - QB ALA 108 far 0 56 0 - 8.1-10.2 HA ARG 84 - QB ALA 15 far 0 100 0 - 8.2-38.4 HA LYS 19 - QB ALA 28 far 0 65 0 - 8.6-20.2 HA GLN 27 - QB ALA 15 far 0 100 0 - 8.7-23.4 HA LEU 22 - QB ALA 16 far 0 73 0 - 8.7-13.1 HA LEU 22 - QB ALA 15 far 0 80 0 - 9.1-14.5 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): 5 out of 7 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 85 85 100 100 2.9-3.5 3.6=100 H LYS 31 + HA ALA 29 OK 81 90 100 90 4.6-5.1 4.7/10819=54...(9) H ALA 29 + HA ALA 28 OK 69 69 100 100 2.1-3.2 3.6=100 H GLU 30 + HA ALA 28 OK 45 52 100 88 3.8-4.3 6316/2.1=43, 4.6/6310=30...(9) H LYS 31 - HA ALA 28 far 0 57 0 - 6.2-7.6 H ARG 23 - HA ALA 28 far 0 61 0 - 6.3-16.5 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): 2 out of 9 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 far 0 69 0 - 3.7-4.3 QB ALA 28 - HA ALA 29 far 0 99 0 - 4.1-5.1 HG3 LYS 26 - HA ALA 29 far 0 100 0 - 5.0-8.0 HG3 LYS 26 - HA ALA 28 far 0 69 0 - 5.4-8.4 HG3 LYS 31 - HA ALA 29 far 0 99 0 - 7.7-9.0 HG2 LYS 24 - HA ALA 28 far 0 69 0 - 9.0-15.1 HG2 LYS 36 - HA ALA 29 far 0 100 0 - 9.0-11.0 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 5 assignments used, quality = 1.00: * H GLU 30 + HA ALA 29 OK 100 100 100 100 2.9-3.5 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 65 69 100 94 3.8-4.3 6316/2.1=55, 4.6/6310=35...(11) H ALA 29 + HA ALA 28 OK 52 52 100 100 2.1-3.2 3.6=100 H ARG 23 - HA ALA 28 far 0 67 0 - 6.3-16.5 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 15 assignments used, quality = 1.00: * H ALA 29 + QB ALA 29 OK 100 100 100 100 2.1-3.0 2.9=100 H ALA 29 + QB ALA 28 OK 98 98 100 100 1.9-3.7 3.7=100 H GLU 30 + QB ALA 29 OK 85 85 100 100 2.7-3.7 3.7=100 H LYS 31 + QB ALA 28 OK 85 86 100 99 4.2-5.7 6326/10791=74...(10) H LYS 31 + QB ALA 29 OK 82 90 100 91 5.0-5.7 10802/11488=40...(8) H GLU 30 + QB ALA 28 OK 80 80 100 100 2.4-3.3 4.0/10791=80...(11) H ARG 23 - QB ALA 28 far 5 90 5 - 4.6-15.2 H ARG 23 - QB ALA 16 far 0 71 0 - 7.6-12.2 H LYS 31 - QB ALA 12 far 0 47 0 - 7.7-32.8 H LEU 96 - QB ALA 15 far 0 64 0 - 8.2-36.7 H ARG 23 - QB ALA 15 far 0 93 0 - 8.4-13.9 H LYS 31 - QB ALA 16 far 0 66 0 - 8.5-24.5 H LEU 96 - QB ALA 12 far 0 31 0 - 8.6-31.1 H ARG 23 - QB ALA 29 far 0 95 0 - 9.0-16.7 H LEU 96 - QB ALA 16 far 0 45 0 - 10.0-39.8 Violated in 0 structures by 0.00 A. Peak 750 from aliabs.peaks (4.23, 1.38, 19.00 ppm; 2.50 A): 2 out of 23 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 88 - QB ALA 12 far 0 39 0 - 3.1-33.6 HA ALA 28 - QB ALA 29 far 0 89 0 - 3.7-4.3 HA GLN 27 - QB ALA 28 far 0 78 0 - 3.7-5.0 HA GLU 30 - QB ALA 29 far 0 96 0 - 3.8-4.2 HA GLU 30 - QB ALA 28 far 0 91 0 - 3.9-4.7 HA ALA 29 - QB ALA 28 far 0 98 0 - 4.1-5.1 HA GLN 27 - QB ALA 29 far 0 83 0 - 5.4-7.9 HA SER 94 - QB ALA 15 far 0 95 0 - 5.5-33.7 HA HIS 67 - QB ALA 15 far 0 81 0 - 5.7-32.6 HA ARG 84 - QB ALA 12 far 0 43 0 - 6.5-38.3 HA SER 94 - QB ALA 16 far 0 73 0 - 6.6-36.7 HA SER 94 - QB ALA 12 far 0 53 0 - 6.7-27.8 HA ALA 88 - QB ALA 15 far 0 77 0 - 7.2-38.3 HA ALA 34 - QB ALA 29 far 0 95 0 - 7.9-9.5 HA ALA 34 - QB ALA 15 far 0 93 0 - 8.1-26.8 HA ARG 84 - QB ALA 15 far 0 83 0 - 8.2-38.4 HA GLN 27 - QB ALA 15 far 0 81 0 - 8.7-23.4 HA ALA 34 - QB ALA 12 far 0 51 0 - 9.3-32.1 HA HIS 67 - QB ALA 16 far 0 59 0 - 9.5-36.1 HA HIS 67 - QB ALA 12 far 0 42 0 - 9.6-30.0 HA GLU 30 - QB ALA 12 far 0 52 0 - 10.0-35.6 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 2 assignments used, quality = 1.00: * HB2 GLU 30 + HA GLU 30 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 GLN 27 - HA GLU 30 far 0 68 0 - 5.9-10.5 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 1 assignment used, quality = 1.00: * HB3 GLU 30 + HA GLU 30 OK 100 100 100 100 2.3-2.9 3.0=100 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 1 assignment used, quality = 1.00: * HG2 GLU 30 + HA GLU 30 OK 100 100 100 100 2.0-3.9 3.8=100 Violated in 1 structures by 0.00 A. Peak 758 from aliabs.peaks (2.31, 4.21, 56.25 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 30 + HA GLU 30 OK 100 100 100 100 2.1-3.6 3.8=100 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 3.5-3.6 3.6=100 H ALA 29 + HA GLU 30 OK 89 90 100 99 4.8-5.4 10787/3.0=42...(22) H ARG 23 - HA GLU 30 far 0 60 0 - 9.2-20.7 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 6 assignments used, quality = 1.00: * HA GLU 30 + HB2 GLU 30 OK 100 100 100 100 2.8-3.0 3.0=100 HA ALA 28 - HB2 GLU 30 far 0 60 0 - 4.9-5.7 HA ALA 29 - HB2 GLU 30 far 0 96 0 - 4.9-5.3 HA SER 94 - HB3 ARG 90 far 0 46 0 - 5.4-6.1 HA ALA 88 - HB3 ARG 90 far 0 65 0 - 6.7-7.1 HB THR 25 - HB2 GLU 30 far 0 68 0 - 6.8-14.2 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 7 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 93 3.0-3.0 2.9=62, 2787/3.0=21...(17) HB2 GLU 91 - HB3 ARG 90 far 0 58 0 - 5.0-6.1 HB3 MET 11 - HB3 ARG 90 far 0 70 0 - 5.1-37.6 HB3 GLU 91 - HB3 ARG 90 far 0 48 0 - 6.0-6.4 QE MET 11 - HB3 ARG 90 far 0 56 0 - 6.9-33.7 HB VAL 20 - HB3 ARG 90 far 0 65 0 - 8.2-33.9 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 4 assignments used, quality = 1.00: * HG2 GLU 30 + HB2 GLU 30 OK 100 100 100 100 2.2-2.9 3.0=100 HG2 GLU 97 - HB3 ARG 90 far 0 37 0 - 7.4-8.2 HB3 LEU 96 - HB3 ARG 90 far 0 37 0 - 8.7-9.4 HB VAL 132 - HB3 ARG 90 far 0 66 0 - 9.2-9.9 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 2 assignments used, quality = 1.00: * HG3 GLU 30 + HB2 GLU 30 OK 100 100 100 100 2.2-2.8 3.0=100 HB VAL 132 - HB3 ARG 90 far 0 39 0 - 9.2-9.9 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 5 assignments used, quality = 1.00: * HA GLU 30 + HB3 GLU 30 OK 100 100 100 100 2.3-2.9 3.0=100 HA ALA 29 - HB3 GLU 30 far 0 96 0 - 5.7-6.2 HA ALA 28 - HB3 GLU 30 far 0 60 0 - 5.7-7.3 HA SER 51 - HB2 GLU 55 far 0 31 0 - 6.8-7.4 HB THR 25 - HB3 GLU 30 far 0 68 0 - 7.8-15.8 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 4 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 - 3.8-9.7 HG LEU 53 - HB2 GLU 55 far 0 31 0 - 8.6-10.4 HG2 PRO 113 - HB2 GLU 55 far 0 30 0 - 9.5-12.2 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 3 assignments used, quality = 1.00: * HG2 GLU 30 + HB3 GLU 30 OK 100 100 100 100 2.4-2.8 3.0=100 HG2 GLN 61 - HB2 GLU 55 far 0 29 0 - 7.2-9.1 HB3 PRO 113 - HB2 GLU 55 far 0 31 0 - 8.8-11.5 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 1 assignment used, quality = 1.00: * HG3 GLU 30 + HB3 GLU 30 OK 100 100 100 100 2.8-3.0 3.0=100 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 5 assignments used, quality = 1.00: * H GLU 30 + HG2 GLU 30 OK 100 100 100 100 3.0-4.6 5.1=100 H ALA 29 + HG2 GLU 30 OK 85 85 100 100 5.4-7.1 3.7/10743=96...(12) H GLU 40 + HG2 GLU 40 OK 47 47 100 100 1.9-4.5 4.8=100 H LEU 43 + HG2 GLU 40 OK 38 47 100 81 5.8-6.8 6495/3.9=48...(7) H ARG 23 - HG2 GLU 30 far 0 99 0 - 8.8-21.0 Violated in 0 structures by 0.00 A. Peak 775 from aliabs.peaks (4.21, 2.27, 35.39 ppm; 3.66 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 30 + HG2 GLU 30 OK 100 100 100 100 2.0-3.9 3.8=90, 3.0/6320=52...(16) HB3 SER 38 - HG2 GLU 40 far 3 65 5 - 3.8-7.1 HA ALA 28 - HG2 GLU 30 far 0 60 0 - 6.0-7.7 HA ALA 29 - HG2 GLU 30 far 0 96 0 - 6.1-7.5 HB THR 25 - HG2 GLU 30 far 0 68 0 - 8.0-16.6 Violated in 1 structures by 0.01 A. Peak 776 from aliabs.peaks (1.94, 2.27, 35.39 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 30 + HG2 GLU 30 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 GLN 27 - HG2 GLU 30 far 0 68 0 - 5.4-10.3 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 6 assignments used, quality = 1.00: * HB3 GLU 30 + HG2 GLU 30 OK 100 100 100 100 2.4-2.8 3.0=100 HB3 GLU 40 + HG2 GLU 40 OK 59 59 100 100 2.2-3.0 3.0=100 HB2 GLU 44 - HG2 GLU 40 far 0 57 0 - 5.7-9.3 HB2 GLN 134 - HG2 GLU 40 far 0 60 0 - 8.4-13.3 HG2 PRO 81 - HG2 GLU 40 far 0 64 0 - 8.6-15.6 HB2 PRO 81 - HG2 GLU 40 far 0 21 0 - 10.0-15.0 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 3 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 3 62 5 - 3.1-8.0 HB3 GLN 134 - HG2 GLU 40 far 0 45 0 - 6.9-12.7 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 5 assignments used, quality = 1.00: * H GLU 30 + HG3 GLU 30 OK 100 100 100 100 3.0-4.1 5.1=100 H ALA 29 + HG3 GLU 30 OK 85 85 100 100 4.9-6.5 3.7/10744=97...(13) H GLU 40 + HG2 GLU 40 OK 47 47 100 100 1.9-4.5 4.8=100 H LEU 43 + HG2 GLU 40 OK 40 47 100 85 5.8-6.8 6495/3.9=48...(8) H ARG 23 - HG3 GLU 30 far 0 99 0 - 9.6-20.7 Violated in 0 structures by 0.00 A. Peak 782 from aliabs.peaks (4.21, 2.31, 35.39 ppm; 3.56 A): 1 out of 5 assignments used, quality = 0.99: * HA GLU 30 + HG3 GLU 30 OK 99 100 100 99 2.1-3.6 3.8=84, 3.0/6321=49...(14) HB3 SER 38 - HG2 GLU 40 far 3 65 5 - 3.8-7.1 HA ALA 28 - HG3 GLU 30 far 0 60 0 - 5.0-7.9 HA ALA 29 - HG3 GLU 30 far 0 96 0 - 5.9-6.9 HB THR 25 - HG3 GLU 30 far 0 68 0 - 9.3-16.1 Violated in 0 structures by 0.00 A. Peak 783 from aliabs.peaks (1.94, 2.31, 35.39 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 30 + HG3 GLU 30 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 GLN 27 - HG3 GLU 30 far 3 68 5 - 4.0-9.8 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 6 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 HB2 GLU 44 - HG2 GLU 40 far 0 57 0 - 5.7-9.3 HB2 GLN 134 - HG2 GLU 40 far 0 60 0 - 8.4-13.3 HG2 PRO 81 - HG2 GLU 40 far 0 64 0 - 8.6-15.6 HB2 PRO 81 - HG2 GLU 40 far 0 21 0 - 10.0-15.0 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 2 assignments used, quality = 1.00: * HG2 GLU 30 + HG3 GLU 30 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PRO 81 - HG2 GLU 40 far 0 20 0 - 10.0-15.0 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): 4 out of 23 assignments used, quality = 1.00: * HB2 LYS 31 + HA LYS 31 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 19 + HA LYS 19 OK 100 100 100 100 2.3-2.4 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 2.3-3.0 3.0=100 HB2 LYS 24 - HA LYS 19 far 5 100 5 - 4.0-13.5 HB2 LYS 31 - HA LYS 26 far 5 100 5 - 4.3-11.2 HB2 LYS 31 - HA ARG 23 far 3 56 5 - 2.6-16.6 HB2 ARG 23 - HA LYS 19 far 0 98 0 - 4.5-9.3 HB2 LYS 24 - HA ARG 23 far 0 56 0 - 4.6-6.1 HB2 LYS 26 - HA LYS 31 far 0 100 0 - 4.9-11.8 HB2 ARG 23 - HA LYS 31 far 0 98 0 - 5.8-19.1 HB2 LYS 24 - HA LYS 26 far 0 100 0 - 6.2-8.2 HB2 LYS 19 - HA ARG 23 far 0 56 0 - 6.3-11.2 HB2 LYS 31 - HA LYS 19 far 0 100 0 - 6.8-22.9 HB2 ARG 23 - HA LYS 26 far 0 98 0 - 6.9-10.2 HB2 LYS 26 - HA ARG 23 far 0 55 0 - 7.0-10.2 HB2 LYS 19 - HA LYS 31 far 0 100 0 - 7.3-26.4 HB2 LYS 26 - HA LYS 36 far 0 56 0 - 7.9-15.0 HG3 ARG 90 - HA LYS 19 far 0 99 0 - 9.2-34.8 HB2 LYS 19 - HA LYS 26 far 0 100 0 - 9.4-17.1 HB2 LYS 24 - HA LYS 31 far 0 100 0 - 9.6-19.4 HB2 LYS 26 - HA LYS 19 far 0 100 0 - 9.7-17.9 HB ILE 80 - HA LYS 19 far 0 98 0 - 9.9-34.2 Violated in 0 structures by 0.00 A. Peak 791 from aliabs.peaks (1.81, 4.27, 56.29 ppm; 3.62 A): 5 out of 29 assignments used, quality = 1.00: * HB3 LYS 31 + HA LYS 31 OK 100 100 100 100 2.5-2.6 3.0=100 HB3 LYS 26 + HA LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 19 + HA LYS 19 OK 99 99 100 100 2.5-2.7 3.0=100 HB2 LYS 36 + HA LYS 36 OK 55 55 100 100 2.2-2.9 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 ARG 23 far 3 56 5 - 4.2-18.0 HB3 LYS 31 - HA LYS 26 far 0 100 0 - 4.5-12.4 HB3 LYS 26 - HA LYS 31 far 0 100 0 - 4.5-10.2 HB ILE 32 - HA LYS 26 far 0 100 0 - 4.8-10.0 HB ILE 32 - HA LYS 31 far 0 100 0 - 4.8-5.6 HB3 LYS 24 - HA ARG 23 far 0 55 0 - 5.0-6.4 HB3 ARG 23 - HA LYS 26 far 0 99 0 - 5.4-10.0 HB3 LYS 19 - HA ARG 23 far 0 55 0 - 5.5-10.2 HB3 LYS 24 - HA LYS 19 far 0 100 0 - 5.5-13.9 HB3 LYS 19 - HA LYS 31 far 0 100 0 - 5.6-24.7 HB3 LYS 31 - HA LYS 19 far 0 100 0 - 5.7-24.3 HB3 ARG 23 - HA LYS 19 far 0 99 0 - 5.8-10.6 HB ILE 32 - HA LYS 36 far 0 56 0 - 6.4-7.7 HB3 LYS 24 - HA LYS 26 far 0 100 0 - 6.7-8.2 HB3 ARG 23 - HA LYS 31 far 0 99 0 - 7.2-20.2 HB ILE 32 - HA ARG 23 far 0 56 0 - 7.3-15.8 HB2 CYS 79 - HA LYS 36 far 0 43 0 - 7.7-10.1 HB3 LYS 19 - HA LYS 26 far 0 99 0 - 7.7-15.6 HB2 LYS 36 - HA LYS 31 far 0 100 0 - 7.8-9.5 HB2 CYS 79 - HA LYS 19 far 0 86 0 - 8.0-30.8 HB3 LYS 26 - HA ARG 23 far 0 55 0 - 8.1-10.1 HB2 CYS 79 - HA ARG 23 far 0 42 0 - 8.4-22.1 HB3 LYS 26 - HA LYS 36 far 0 56 0 - 8.7-14.1 HB2 LYS 36 - HA LYS 26 far 0 99 0 - 9.4-16.2 Violated in 0 structures by 0.00 A. Peak 792 from aliabs.peaks (1.46, 4.27, 56.29 ppm; 4.38 A): 4 out of 22 assignments used, quality = 1.00: * HG2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.2-3.7 3.8=100 HG3 LYS 19 + HA LYS 19 OK 84 84 100 100 4.2-4.2 4.2=100 HG2 LYS 26 + HA LYS 26 OK 68 68 100 100 2.9-4.2 4.0=100 HG3 LYS 36 + HA LYS 36 OK 56 56 100 100 3.4-3.5 4.1=100 HG3 LYS 24 - HA ARG 23 far 8 52 15 - 4.8-6.7 HG13 ILE 32 - HA LYS 26 far 6 62 10 - 3.1-8.1 HG3 LYS 24 - HA LYS 19 far 5 98 5 - 4.3-12.8 HG13 ILE 32 - HA LYS 31 far 3 63 5 - 5.0-5.6 HG2 LYS 31 - HA ARG 23 far 3 56 5 - 3.0-18.6 HG2 LYS 26 - HA LYS 31 far 0 68 0 - 5.1-11.8 HG3 LYS 19 - HA LYS 31 far 0 85 0 - 6.2-25.0 HG2 LYS 31 - HA LYS 19 far 0 100 0 - 6.3-23.8 HG2 LYS 31 - HA LYS 26 far 0 100 0 - 6.5-13.6 HG2 LYS 26 - HA ARG 23 far 0 31 0 - 6.6-11.4 HG13 ILE 32 - HA ARG 23 far 0 28 0 - 6.6-14.3 HG3 LYS 19 - HA ARG 23 far 0 41 0 - 7.2-11.5 HG3 LYS 19 - HA LYS 26 far 0 84 0 - 7.8-16.3 HG2 LYS 26 - HA LYS 36 far 0 31 0 - 8.1-13.8 HG3 LYS 24 - HA LYS 26 far 0 98 0 - 8.4-9.7 HG13 ILE 32 - HA LYS 36 far 0 28 0 - 8.5-10.0 HG3 LYS 36 - HA LYS 31 far 0 100 0 - 9.3-10.6 HG3 LYS 86 - HA LYS 19 far 0 84 0 - 9.7-34.2 Violated in 0 structures by 0.00 A. Peak 793 from aliabs.peaks (1.39, 4.27, 56.29 ppm; 3.63 A): 4 out of 38 assignments used, quality = 1.00: HG3 LYS 26 + HA LYS 26 OK 99 100 100 99 2.6-3.7 4.0=72, 6253/2.9=57...(31) * HG3 LYS 31 + HA LYS 31 OK 99 100 100 99 2.2-3.7 3.8=86, 1.8/822=29...(21) HG2 LYS 19 + HA LYS 19 OK 91 91 100 99 3.5-3.6 4.2=66, 6151/3.0=50...(39) HG2 LYS 36 + HA LYS 36 OK 55 55 100 99 3.1-3.3 4.1=68, 6394/3.0=52...(29) QB ALA 28 - HA LYS 26 far 15 100 15 - 3.8-7.7 HG2 LYS 24 - HA ARG 23 far 5 52 10 - 4.1-5.3 HG3 LYS 31 - HA ARG 23 far 3 56 5 - 3.3-17.9 QB ALA 28 - HA ARG 23 far 3 56 5 - 3.3-13.3 HG2 LYS 24 - HA LYS 19 far 0 98 0 - 4.8-11.2 HG3 LYS 31 - HA LYS 19 far 0 100 0 - 4.8-25.5 QB ALA 29 - HA LYS 36 far 0 54 0 - 5.2-8.8 QB ALA 29 - HA LYS 31 far 0 99 0 - 5.5-6.6 QB ALA 29 - HA LYS 26 far 0 99 0 - 5.6-9.5 QB ALA 16 - HA LYS 19 far 0 99 0 - 6.1-9.7 QB ALA 12 - HA LYS 31 far 0 68 0 - 6.2-33.7 QB ALA 34 - HA LYS 26 far 0 60 0 - 6.3-10.4 QB ALA 34 - HA LYS 36 far 0 27 0 - 6.3-6.4 QB ALA 28 - HA LYS 31 far 0 100 0 - 6.6-7.7 HG3 LYS 26 - HA LYS 31 far 0 100 0 - 6.6-12.4 HG3 LYS 31 - HA LYS 26 far 0 100 0 - 6.8-12.7 HG2 LYS 19 - HA ARG 23 far 0 46 0 - 6.8-10.5 QB ALA 15 - HA LYS 19 far 0 100 0 - 6.9-12.4 HG3 LYS 26 - HA ARG 23 far 0 55 0 - 6.9-9.9 HG2 LYS 19 - HA LYS 31 far 0 92 0 - 6.9-25.0 QB ALA 34 - HA ARG 23 far 0 27 0 - 7.1-14.0 QB ALA 34 - HA LYS 19 far 0 60 0 - 7.7-21.5 HG3 LYS 26 - HA LYS 36 far 0 55 0 - 7.8-13.9 QB ALA 16 - HA LYS 31 far 0 99 0 - 7.9-25.4 QB ALA 29 - HA ARG 23 far 0 53 0 - 7.9-14.7 HG2 LYS 24 - HA LYS 26 far 0 98 0 - 8.0-9.2 QB ALA 34 - HA LYS 31 far 0 60 0 - 8.5-8.9 QB ALA 28 - HA LYS 19 far 0 100 0 - 8.6-20.2 QB ALA 15 - HA ARG 23 far 0 55 0 - 8.9-15.3 HG2 LYS 19 - HA LYS 26 far 0 91 0 - 8.9-15.8 QB ALA 12 - HA LYS 19 far 0 68 0 - 9.1-20.2 HG2 LYS 24 - HA LYS 31 far 0 98 0 - 9.5-19.9 QB ALA 16 - HA ARG 23 far 0 54 0 - 9.7-14.0 HG3 LYS 26 - HA LYS 19 far 0 100 0 - 9.9-17.8 Violated in 0 structures by 0.00 A. Peak 794 from aliabs.peaks (1.65, 4.27, 56.29 ppm; 4.54 A): 8 out of 39 assignments used, quality = 1.00: * HD2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.0-4.7 5.2=66, ~6332=34...(32) HD3 LYS 31 + HA LYS 31 OK 100 100 100 100 1.9-4.8 5.2=66, ~6332=34...(32) HD2 LYS 26 + HA LYS 26 OK 99 100 100 100 2.0-5.1 5.0=76, ~6253=40...(34) HD2 LYS 19 + HA LYS 19 OK 99 99 100 100 3.5-4.4 5.2=68, ~6151=38...(42) HD3 LYS 19 + HA LYS 19 OK 98 99 100 100 3.8-5.0 5.2=68, ~6151=38...(41) HD3 LYS 26 + HA LYS 26 OK 79 99 80 100 2.0-5.3 5.0=76, ~6253=40...(34) HD2 LYS 36 + HA LYS 36 OK 54 54 100 100 4.6-4.6 5.3=64, 1042/3.0=41...(29) HD3 LYS 36 + HA LYS 36 OK 44 55 80 100 4.9-5.2 5.3=64, 1031/3.0=41...(30) HD3 LYS 26 - HA LYS 31 far 10 99 10 - 4.0-10.4 HD3 LYS 24 - HA ARG 23 far 6 55 10 - 4.0-7.6 HD2 LYS 24 - HA ARG 23 far 5 54 10 - 5.0-7.8 HD3 LYS 31 - HA LYS 19 far 5 100 5 - 4.2-24.3 HD2 LYS 31 - HA LYS 19 far 5 100 5 - 5.1-24.1 HD2 LYS 26 - HA LYS 31 far 5 100 5 - 5.1-10.1 HD3 LYS 31 - HA ARG 23 far 0 55 0 - 5.4-17.9 HD2 LYS 31 - HA ARG 23 far 0 56 0 - 5.5-19.1 HD2 LYS 26 - HA LYS 36 far 0 55 0 - 5.9-11.4 HD3 LYS 26 - HA LYS 36 far 0 54 0 - 6.0-12.7 HD3 LYS 26 - HA ARG 23 far 0 53 0 - 6.4-12.1 HD2 LYS 31 - HA LYS 26 far 0 100 0 - 6.5-14.6 HD2 LYS 24 - HA LYS 19 far 0 99 0 - 6.5-12.9 HD3 LYS 24 - HA LYS 19 far 0 100 0 - 6.6-13.2 HD3 LYS 24 - HA LYS 26 far 0 100 0 - 6.8-10.5 HD2 LYS 36 - HA LYS 31 far 0 99 0 - 7.5-8.1 HD3 LYS 31 - HA LYS 26 far 0 100 0 - 7.8-13.5 HD2 LYS 24 - HA LYS 26 far 0 99 0 - 7.8-10.9 HD2 LYS 26 - HA ARG 23 far 0 55 0 - 7.9-11.1 HD3 LYS 19 - HA LYS 31 far 0 99 0 - 8.3-27.0 HD3 LYS 19 - HA ARG 23 far 0 53 0 - 8.4-12.6 HD2 LYS 86 - HA LYS 19 far 0 100 0 - 8.6-32.1 HD2 LYS 19 - HA ARG 23 far 0 55 0 - 8.7-12.2 HD2 LYS 19 - HA LYS 31 far 0 100 0 - 8.9-27.5 HD3 LYS 36 - HA LYS 31 far 0 99 0 - 9.1-9.5 HD2 LYS 86 - HA ARG 23 far 0 56 0 - 9.1-23.7 HD3 LYS 86 - HA LYS 19 far 0 100 0 - 9.3-32.9 HD2 LYS 36 - HA ARG 23 far 0 53 0 - 9.5-19.6 HD3 LYS 26 - HA LYS 19 far 0 99 0 - 9.7-20.2 HD3 LYS 86 - HA ARG 23 far 0 55 0 - 9.9-24.8 HD3 LYS 19 - HA LYS 26 far 0 99 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 795 from aliabs.peaks (1.66, 4.27, 56.29 ppm; 4.54 A): 8 out of 39 assignments used, quality = 1.00: HD2 LYS 26 + HA LYS 26 OK 100 100 100 100 2.0-5.1 5.0=76, ~6253=40...(34) * HD3 LYS 31 + HA LYS 31 OK 100 100 100 100 1.9-4.8 5.2=66, ~6332=34...(32) HD2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.0-4.7 5.2=66, ~6332=34...(32) HD2 LYS 19 + HA LYS 19 OK 98 98 100 100 3.5-4.4 5.2=68, ~6151=38...(42) HD3 LYS 19 + HA LYS 19 OK 97 97 100 100 3.8-5.0 5.2=68, ~6151=38...(41) HD3 LYS 26 + HA LYS 26 OK 80 100 80 100 2.0-5.3 5.0=76, ~6253=40...(34) HD2 LYS 36 + HA LYS 36 OK 55 55 100 100 4.6-4.6 5.3=64, 1042/3.0=41...(29) HD3 LYS 36 + HA LYS 36 OK 45 56 80 100 4.9-5.2 5.3=64, 1031/3.0=41...(30) HD3 LYS 26 - HA LYS 31 far 10 100 10 - 4.0-10.4 HD2 LYS 24 - HA ARG 23 far 6 55 10 - 5.0-7.8 HD3 LYS 24 - HA ARG 23 far 5 55 10 - 4.0-7.6 HD3 LYS 31 - HA LYS 19 far 5 100 5 - 4.2-24.3 HD2 LYS 26 - HA LYS 31 far 5 100 5 - 5.1-10.1 HD2 LYS 31 - HA LYS 19 far 5 100 5 - 5.1-24.1 HD3 LYS 31 - HA ARG 23 far 0 56 0 - 5.4-17.9 HD2 LYS 31 - HA ARG 23 far 0 55 0 - 5.5-19.1 HD2 LYS 26 - HA LYS 36 far 0 56 0 - 5.9-11.4 HD3 LYS 26 - HA LYS 36 far 0 55 0 - 6.0-12.7 HD3 LYS 26 - HA ARG 23 far 0 55 0 - 6.4-12.1 HD2 LYS 31 - HA LYS 26 far 0 100 0 - 6.5-14.6 HD2 LYS 24 - HA LYS 19 far 0 100 0 - 6.5-12.9 HD3 LYS 24 - HA LYS 19 far 0 99 0 - 6.6-13.2 HD3 LYS 24 - HA LYS 26 far 0 99 0 - 6.8-10.5 HD2 LYS 36 - HA LYS 31 far 0 100 0 - 7.5-8.1 HD3 LYS 31 - HA LYS 26 far 0 100 0 - 7.8-13.5 HD2 LYS 24 - HA LYS 26 far 0 100 0 - 7.8-10.9 HD2 LYS 26 - HA ARG 23 far 0 56 0 - 7.9-11.1 HD3 LYS 19 - HA LYS 31 far 0 97 0 - 8.3-27.0 HD3 LYS 19 - HA ARG 23 far 0 51 0 - 8.4-12.6 HD2 LYS 86 - HA LYS 19 far 0 100 0 - 8.6-32.1 HD2 LYS 19 - HA ARG 23 far 0 53 0 - 8.7-12.2 HD2 LYS 19 - HA LYS 31 far 0 99 0 - 8.9-27.5 HD3 LYS 36 - HA LYS 31 far 0 100 0 - 9.1-9.5 HD2 LYS 86 - HA ARG 23 far 0 55 0 - 9.1-23.7 HD3 LYS 86 - HA LYS 19 far 0 99 0 - 9.3-32.9 HD2 LYS 36 - HA ARG 23 far 0 55 0 - 9.5-19.6 HD3 LYS 26 - HA LYS 19 far 0 100 0 - 9.7-20.2 HD3 LYS 86 - HA ARG 23 far 0 55 0 - 9.9-24.8 HD3 LYS 19 - HA LYS 26 far 0 97 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 798 from aliabs.peaks (8.14, 4.27, 56.29 ppm; 5.34 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 32 + HA LYS 31 OK 100 100 100 100 2.9-3.2 3.6=100 H ILE 32 - HA LYS 26 far 10 100 10 - 4.6-9.8 H ILE 32 - HA ARG 23 far 3 56 5 - 5.6-15.9 H ILE 32 - HA LYS 36 far 0 56 0 - 8.3-9.6 H ILE 32 - HA LYS 19 far 0 100 0 - 9.9-24.1 Violated in 0 structures by 0.00 A. Peak 800 from aliabs.peaks (4.27, 1.74, 32.63 ppm; 3.91 A): 4 out of 44 assignments used, quality = 1.00: * HA LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.3-2.4 3.0=100 HA LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HA THR 25 + HB2 LYS 24 OK 37 82 45 99 4.2-5.0 3.0/6232=67...(14) HA LEU 22 - HB2 LYS 24 far 10 99 10 - 4.2-7.1 HA GLN 27 - HB2 LYS 26 far 7 75 10 - 4.2-5.8 HA ALA 28 - HB2 LYS 26 far 7 67 10 - 4.3-8.0 HA LYS 26 - HB2 LYS 31 far 5 100 5 - 4.3-11.2 HA LYS 19 - HB2 LYS 24 far 5 100 5 - 4.0-13.5 HA ARG 23 - HB2 LYS 31 far 5 99 5 - 2.6-16.6 HA THR 25 - HB2 LYS 26 far 4 82 5 - 4.5-5.6 HA ALA 21 - HB2 LYS 24 far 4 70 5 - 3.2-10.2 HA ARG 23 - HB2 LYS 24 far 0 98 0 - 4.6-6.1 HA LYS 31 - HB2 LYS 26 far 0 100 0 - 4.9-11.8 HA SER 74 - HB2 LYS 19 far 0 86 0 - 5.6-34.6 HA THR 18 - HB2 LYS 19 far 0 96 0 - 6.0-6.2 HA LYS 26 - HB2 LYS 24 far 0 100 0 - 6.2-8.2 HA ALA 16 - HB2 LYS 19 far 0 99 0 - 6.3-10.0 HA ARG 23 - HB2 LYS 19 far 0 98 0 - 6.3-11.2 HA LEU 22 - HB2 LYS 31 far 0 100 0 - 6.8-20.4 HA LYS 19 - HB2 LYS 31 far 0 100 0 - 6.8-22.9 HA GLN 27 - HB2 LYS 31 far 0 76 0 - 6.8-10.6 HA ALA 15 - HB2 LYS 19 far 0 98 0 - 6.9-13.3 HA ARG 23 - HB2 LYS 26 far 0 98 0 - 7.0-10.2 HA THR 25 - HB2 LYS 31 far 0 83 0 - 7.1-15.0 HA THR 18 - HB2 LYS 24 far 0 96 0 - 7.3-14.1 HA LYS 31 - HB2 LYS 19 far 0 100 0 - 7.3-26.4 HA ALA 12 - HB2 LYS 19 far 0 91 0 - 7.3-22.3 HA THR 25 - HB2 LYS 19 far 0 82 0 - 7.6-17.0 HA LYS 36 - HB2 LYS 26 far 0 92 0 - 7.9-15.0 HA LEU 22 - HB2 LYS 19 far 0 99 0 - 7.9-10.4 HA ALA 21 - HB2 LYS 31 far 0 71 0 - 8.0-21.9 HA ALA 21 - HB2 LYS 19 far 0 70 0 - 8.1-8.5 HA GLN 27 - HB2 LYS 24 far 0 75 0 - 8.3-10.8 HA ALA 28 - HB2 LYS 24 far 0 68 0 - 8.4-13.7 HA ALA 28 - HB2 LYS 31 far 0 68 0 - 8.5-9.9 HA SER 74 - HB2 LYS 24 far 0 86 0 - 8.6-21.9 HA LEU 22 - HB2 LYS 26 far 0 99 0 - 8.7-13.8 HA ALA 12 - HB2 LYS 31 far 0 92 0 - 9.0-37.5 HA LYS 26 - HB2 LYS 19 far 0 100 0 - 9.4-17.1 HA LYS 31 - HB2 LYS 24 far 0 100 0 - 9.6-19.4 HA GLN 27 - HB2 LYS 19 far 0 75 0 - 9.7-21.0 HA LYS 19 - HB2 LYS 26 far 0 100 0 - 9.7-17.9 HA ALA 16 - HB2 LYS 31 far 0 99 0 - 9.8-27.0 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 28 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 26 - HB2 LYS 31 far 5 100 5 - 2.8-9.8 HB3 LYS 31 - HB2 LYS 26 far 0 100 0 - 3.3-12.5 HB3 LYS 19 - HB2 LYS 24 far 0 99 0 - 4.2-14.4 HB3 ARG 23 - HB2 LYS 31 far 0 99 0 - 5.4-19.6 HB ILE 32 - HB2 LYS 26 far 0 100 0 - 5.4-8.5 HB ILE 32 - HB2 LYS 31 far 0 100 0 - 6.0-6.4 HB3 ARG 23 - HB2 LYS 24 far 0 99 0 - 6.1-7.3 HB3 LYS 19 - HB2 LYS 31 far 0 100 0 - 6.3-22.1 HB3 ARG 23 - HB2 LYS 26 far 0 99 0 - 6.4-12.2 HB3 LYS 31 - HB2 LYS 19 far 0 100 0 - 6.5-25.3 HB3 ARG 23 - HB2 LYS 19 far 0 99 0 - 6.5-12.1 HB3 LYS 24 - HB2 LYS 19 far 0 100 0 - 6.6-15.6 HB2 CYS 79 - HB2 LYS 39 far 0 38 0 - 6.8-9.6 HB2 CYS 79 - HB2 LYS 19 far 0 86 0 - 7.0-32.6 HB3 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.9-19.1 HB3 LYS 24 - HB2 LYS 31 far 0 100 0 - 7.9-18.7 HB3 LYS 24 - HB2 LYS 26 far 0 100 0 - 8.1-9.9 HB2 LYS 36 - HB2 LYS 26 far 0 99 0 - 8.3-14.6 HB3 ARG 135 - HB2 LYS 39 far 0 49 0 - 8.3-11.2 HB3 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.6-10.2 HB2 LYS 36 - HB2 LYS 31 far 0 100 0 - 9.1-11.4 HB2 CYS 79 - HB2 LYS 24 far 0 86 0 - 9.4-22.1 HB2 LYS 86 - HB2 LYS 19 far 0 86 0 - 9.5-37.3 HB3 LYS 19 - HB2 LYS 26 far 0 99 0 - 9.7-17.7 Violated in 0 structures by 0.00 A. Peak 803 from aliabs.peaks (1.46, 1.74, 32.63 ppm; 4.39 A): 4 out of 19 assignments used, quality = 1.00: * HG2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.2-2.9 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 2.7-2.8 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 26 poor 19 62 30 - 4.5-7.0 HG2 LYS 26 - HB2 LYS 31 poor 14 68 20 - 2.4-11.6 HG2 LYS 31 - HB2 LYS 26 far 5 100 5 - 4.5-14.0 HG13 ILE 32 - HB2 LYS 31 far 3 63 5 - 4.6-6.1 HG3 LYS 24 - HB2 LYS 19 far 0 98 0 - 6.1-14.5 HG3 LYS 19 - HB2 LYS 24 far 0 84 0 - 6.3-15.3 HG3 LYS 19 - HB2 LYS 31 far 0 85 0 - 6.6-22.5 HG2 LYS 31 - HB2 LYS 19 far 0 100 0 - 7.2-24.6 HG2 LYS 26 - HB2 LYS 24 far 0 68 0 - 7.3-9.8 HG3 LYS 24 - HB2 LYS 31 far 0 98 0 - 7.4-19.6 HG3 LYS 86 - HB2 LYS 19 far 0 84 0 - 7.5-36.2 HG2 LYS 31 - HB2 LYS 24 far 0 100 0 - 8.1-20.1 HG13 ILE 32 - HB2 LYS 24 far 0 62 0 - 9.1-14.3 HG3 LYS 19 - HB2 LYS 26 far 0 84 0 - 9.5-17.7 HG3 LYS 24 - HB2 LYS 26 far 0 97 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 804 from aliabs.peaks (1.39, 1.74, 32.63 ppm; 4.05 A): 4 out of 33 assignments used, quality = 1.00: * HG3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.5-3.0 3.0=100 HG2 LYS 24 + HB2 LYS 24 OK 98 98 100 100 2.3-3.0 2.9=100 HG2 LYS 19 + HB2 LYS 19 OK 91 91 100 100 2.9-2.9 3.0=100 HG3 LYS 26 - HB2 LYS 31 far 10 100 10 - 4.0-11.8 QB ALA 28 - HB2 LYS 26 far 10 100 10 - 4.3-7.9 QB ALA 29 - HB2 LYS 26 far 0 99 0 - 4.8-8.9 HG3 LYS 31 - HB2 LYS 26 far 0 100 0 - 5.1-12.9 HB2 LEU 42 - HB2 LYS 39 far 0 45 0 - 5.3-6.0 QB ALA 34 - HB2 LYS 26 far 0 59 0 - 5.3-9.6 QB ALA 15 - HB2 LYS 19 far 0 100 0 - 5.5-12.4 QB ALA 16 - HB2 LYS 19 far 0 99 0 - 5.7-9.3 QB ALA 12 - HB2 LYS 31 far 0 68 0 - 5.8-31.3 QB ALA 28 - HB2 LYS 24 far 0 100 0 - 5.9-13.1 HG3 LYS 31 - HB2 LYS 19 far 0 100 0 - 6.0-26.3 QB ALA 28 - HB2 LYS 31 far 0 100 0 - 6.3-7.9 HG2 LYS 19 - HB2 LYS 24 far 0 91 0 - 6.4-14.3 HG2 LYS 24 - HB2 LYS 31 far 0 98 0 - 6.6-18.9 HG2 LYS 24 - HB2 LYS 19 far 0 98 0 - 6.7-13.0 QB ALA 16 - HB2 LYS 31 far 0 99 0 - 6.8-23.1 QB ALA 34 - HB2 LYS 19 far 0 59 0 - 7.0-22.9 QB ALA 29 - HB2 LYS 31 far 0 99 0 - 7.0-7.5 HG3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.1-8.9 QB ALA 34 - HB2 LYS 24 far 0 60 0 - 7.6-13.6 HG2 LYS 19 - HB2 LYS 31 far 0 92 0 - 7.6-22.5 QB ALA 12 - HB2 LYS 19 far 0 67 0 - 7.7-19.6 HG3 LYS 31 - HB2 LYS 24 far 0 100 0 - 7.7-20.6 QB ALA 29 - HB2 LYS 24 far 0 99 0 - 7.9-14.1 QB ALA 34 - HB2 LYS 31 far 0 60 0 - 8.0-8.8 HG2 LYS 86 - HB2 LYS 19 far 0 62 0 - 8.6-36.3 QB ALA 15 - HB2 LYS 24 far 0 100 0 - 9.2-18.3 HG2 LYS 24 - HB2 LYS 26 far 0 97 0 - 9.2-11.0 HG3 LYS 26 - HB2 LYS 19 far 0 100 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 805 from aliabs.peaks (1.65, 1.74, 32.63 ppm; 4.74 A): 10 out of 34 assignments used, quality = 1.00: * HD2 LYS 31 + HB2 LYS 31 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 HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.6-3.7 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.1-4.0 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.2-3.2 3.9=100 HD2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.6-4.2 3.5=100 HD3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.0-3.5 3.9=100 HD3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.3-3.9 3.5=100 HG LEU 43 + HB2 LYS 39 OK 45 45 100 100 3.4-5.3 ~11901=55, ~11073=44...(23) HD2 LYS 39 + HB2 LYS 39 OK 31 31 100 100 2.6-3.7 3.6=100 HD2 LYS 26 - HB2 LYS 31 poor 20 100 20 - 3.7-10.0 HD3 LYS 26 - HB2 LYS 31 poor 20 99 20 - 2.1-9.6 HD2 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.2-25.0 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.6-25.0 HD2 LYS 31 - HB2 LYS 26 far 0 100 0 - 5.4-13.3 HD3 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.1-13.8 HD2 LYS 86 - HB2 LYS 19 far 0 100 0 - 6.5-34.1 HD3 LYS 86 - HB2 LYS 19 far 0 100 0 - 7.1-35.0 HD2 LYS 19 - HB2 LYS 24 far 0 99 0 - 7.3-16.3 HD3 LYS 24 - HB2 LYS 19 far 0 100 0 - 7.9-15.5 HD3 LYS 26 - HB2 LYS 24 far 0 99 0 - 7.9-11.0 HD3 LYS 19 - HB2 LYS 31 far 0 99 0 - 8.2-24.6 HD2 LYS 24 - HB2 LYS 19 far 0 99 0 - 8.2-15.2 HD3 LYS 19 - HB2 LYS 24 far 0 99 0 - 8.2-16.3 HD2 LYS 36 - HB2 LYS 31 far 0 99 0 - 8.4-9.8 HD3 LYS 24 - HB2 LYS 26 far 0 100 0 - 8.4-11.9 HD2 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.6-11.1 HD2 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.8-21.3 HD2 LYS 19 - HB2 LYS 31 far 0 100 0 - 9.2-25.0 HD3 LYS 24 - HB2 LYS 31 far 0 100 0 - 9.4-20.4 HD2 LYS 24 - HB2 LYS 26 far 0 99 0 - 9.6-12.5 HD3 LYS 36 - HB2 LYS 31 far 0 99 0 - 9.7-11.4 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.2 HD2 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 806 from aliabs.peaks (1.66, 1.74, 32.63 ppm; 4.74 A): 10 out of 34 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 2.1-4.2 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.6-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.1-4.0 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.3-3.9 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.6-3.7 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 98 98 100 100 2.2-3.2 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.0-3.5 3.9=100 HG LEU 43 + HB2 LYS 39 OK 42 42 100 100 3.4-5.3 ~11901=55, ~11073=44...(23) HD2 LYS 39 + HB2 LYS 39 OK 35 35 100 100 2.6-3.7 3.6=100 HD2 LYS 26 - HB2 LYS 31 poor 20 100 20 - 3.7-10.0 HD3 LYS 26 - HB2 LYS 31 poor 20 100 20 - 2.1-9.6 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.6-25.0 HD2 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.2-25.0 HD2 LYS 31 - HB2 LYS 26 far 0 100 0 - 5.4-13.3 HD3 LYS 31 - HB2 LYS 26 far 0 100 0 - 6.1-13.8 HD2 LYS 86 - HB2 LYS 19 far 0 100 0 - 6.5-34.1 HD3 LYS 86 - HB2 LYS 19 far 0 99 0 - 7.1-35.0 HD2 LYS 19 - HB2 LYS 24 far 0 98 0 - 7.3-16.3 HD3 LYS 24 - HB2 LYS 19 far 0 99 0 - 7.9-15.5 HD3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.9-11.0 HD3 LYS 19 - HB2 LYS 31 far 0 97 0 - 8.2-24.6 HD2 LYS 24 - HB2 LYS 19 far 0 100 0 - 8.2-15.2 HD3 LYS 19 - HB2 LYS 24 far 0 97 0 - 8.2-16.3 HD2 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.4-9.8 HD3 LYS 24 - HB2 LYS 26 far 0 99 0 - 8.4-11.9 HD2 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.6-11.1 HD2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.8-21.3 HD2 LYS 19 - HB2 LYS 31 far 0 99 0 - 9.2-25.0 HD3 LYS 24 - HB2 LYS 31 far 0 100 0 - 9.4-20.4 HD2 LYS 24 - HB2 LYS 26 far 0 100 0 - 9.6-12.5 HD3 LYS 36 - HB2 LYS 31 far 0 100 0 - 9.7-11.4 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.2 HD2 LYS 31 - HB2 LYS 24 far 0 100 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 807 from aliabs.peaks (2.96, 1.74, 32.63 ppm; 6.80 A): 10 out of 31 assignments used, quality = 1.00: * HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.4-5.5 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 4.2-5.5 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.5-4.5 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.9-4.6 5.1=100 HE3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 3.5-5.0 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 3.0-5.1 4.8=100 HE2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 3.6-5.5 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 95 95 100 100 2.2-5.4 5.1=100 HE2 LYS 39 + HB2 LYS 39 OK 23 23 100 100 2.1-4.7 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 23 23 100 100 3.6-5.2 4.9=100 HE2 LYS 31 - HB2 LYS 26 far 5 100 5 - 6.8-15.8 HE2 LYS 31 - HB2 LYS 19 far 5 100 5 - 7.3-27.4 HE3 LYS 31 - HB2 LYS 19 far 5 99 5 - 6.4-27.0 HE3 LYS 31 - HB2 LYS 26 far 5 99 5 - 6.6-15.7 HE3 LYS 24 - HB2 LYS 19 far 5 95 5 - 6.8-15.7 HE3 LYS 26 - HB2 LYS 31 lone 2 100 25 8 4.4-12.1 6337/6331=2, 3.0/294=1 HE2 LYS 26 - HB2 LYS 31 lone 2 100 25 8 4.9-11.4 6338/6331=2, 3.0/294=1 HE3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.4-9.9 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.5-17.7 HE2 LYS 24 - HB2 LYS 19 far 0 99 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.8-17.5 HE3 LYS 19 - HB2 LYS 31 far 0 100 0 - 7.9-25.8 HE3 LYS 86 - HB2 LYS 19 far 0 100 0 - 8.3-35.8 HE2 LYS 26 - HB2 LYS 24 far 0 100 0 - 8.3-10.9 HE2 LYS 24 - HB2 LYS 31 far 0 99 0 - 8.4-21.1 HE2 LYS 19 - HB2 LYS 31 far 0 100 0 - 8.4-24.2 HE3 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.4-11.9 HE3 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.5-20.9 HE2 LYS 36 - HB2 LYS 31 far 0 100 0 - 8.8-11.9 HE2 LYS 26 - HB2 LYS 19 far 0 100 0 - 9.3-21.9 HE3 LYS 24 - HB2 LYS 31 far 0 96 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 808 from aliabs.peaks (2.95, 1.74, 32.63 ppm; 6.80 A): 10 out of 31 assignments used, quality = 1.00: * HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 3.0-5.1 4.8=100 HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 3.6-5.5 5.1=100 HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.5-4.5 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.9-4.6 5.1=100 HE2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.4-5.5 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.2-5.4 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 99 99 100 100 4.2-5.5 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 97 97 100 100 3.5-5.0 4.8=100 HE2 LYS 39 + HB2 LYS 39 OK 31 31 100 100 2.1-4.7 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 31 31 100 100 3.6-5.2 4.9=100 HE3 LYS 31 - HB2 LYS 19 far 5 100 5 - 6.4-27.0 HE3 LYS 31 - HB2 LYS 26 far 5 100 5 - 6.6-15.7 HE3 LYS 24 - HB2 LYS 19 far 5 99 5 - 6.8-15.7 HE2 LYS 31 - HB2 LYS 19 far 5 99 5 - 7.3-27.4 HE2 LYS 31 - HB2 LYS 26 far 5 99 5 - 6.8-15.8 HE3 LYS 26 - HB2 LYS 31 lone 2 98 25 8 4.4-12.1 6337/6331=2, 3.0/294=1 HE2 LYS 26 - HB2 LYS 31 lone 2 99 25 8 4.9-11.4 6338/6331=2, 3.0/294=1 HE3 LYS 26 - HB2 LYS 24 far 0 98 0 - 7.4-9.9 HE3 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.5-17.7 HE2 LYS 24 - HB2 LYS 19 far 0 100 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 100 0 - 7.8-17.5 HE3 LYS 19 - HB2 LYS 31 far 0 100 0 - 7.9-25.8 HE3 LYS 86 - HB2 LYS 19 far 0 100 0 - 8.3-35.8 HE2 LYS 26 - HB2 LYS 24 far 0 99 0 - 8.3-10.9 HE2 LYS 24 - HB2 LYS 31 far 0 100 0 - 8.4-21.1 HE2 LYS 19 - HB2 LYS 31 far 0 100 0 - 8.4-24.2 HE3 LYS 36 - HB2 LYS 31 far 0 99 0 - 8.4-11.9 HE3 LYS 26 - HB2 LYS 19 far 0 98 0 - 8.5-20.9 HE2 LYS 36 - HB2 LYS 31 far 0 99 0 - 8.8-11.9 HE2 LYS 26 - HB2 LYS 19 far 0 99 0 - 9.3-21.9 HE3 LYS 24 - HB2 LYS 31 far 0 99 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 811 from aliabs.peaks (4.27, 1.81, 32.63 ppm; 3.71 A): 6 out of 57 assignments used, quality = 1.00: * HA LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.5-2.6 3.0=100 HA LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.3-3.0 3.0=100 HA LYS 19 + HB3 LYS 19 OK 98 98 100 100 2.5-2.7 3.0=100 HA LYS 36 + HB2 LYS 36 OK 74 74 100 100 2.2-2.9 3.0=100 HA PHE 87 + HB2 LYS 86 OK 50 60 85 97 3.8-5.6 2.9/7156=44, ~7157=35...(17) HA GLN 27 + HB3 LYS 26 OK 29 74 40 96 4.1-5.2 3.0/6263=65, ~6262=37...(20) HA THR 25 - HB3 LYS 24 far 8 82 10 - 4.0-5.1 HA ARG 23 - HB3 LYS 31 far 5 99 5 - 4.2-18.0 HA ALA 28 - HB3 LYS 26 far 3 67 5 - 4.0-7.0 HA LYS 26 - HB3 LYS 31 far 0 100 0 - 4.5-12.4 HA LYS 31 - HB3 LYS 26 far 0 100 0 - 4.5-10.2 HA ALA 21 - HB3 LYS 24 far 0 70 0 - 4.9-10.5 HA ARG 23 - HB3 LYS 24 far 0 98 0 - 5.0-6.4 HA THR 25 - HB3 LYS 26 far 0 81 0 - 5.0-5.9 HA LEU 22 - HB3 LYS 24 far 0 99 0 - 5.3-7.5 HA ARG 23 - HB3 LYS 19 far 0 96 0 - 5.5-10.2 HA LYS 19 - HB3 LYS 24 far 0 100 0 - 5.5-13.9 HA LYS 31 - HB3 LYS 19 far 0 98 0 - 5.6-24.7 HA ARG 84 - HB2 LYS 86 far 0 37 0 - 5.6-6.3 HA LYS 19 - HB3 LYS 31 far 0 100 0 - 5.7-24.3 HA ALA 16 - HB3 LYS 19 far 0 97 0 - 5.7-10.7 HA SER 74 - HB3 LYS 19 far 0 83 0 - 5.9-33.4 HA THR 25 - HB3 LYS 19 far 0 79 0 - 6.3-15.9 HA ALA 12 - HB3 LYS 19 far 0 88 0 - 6.3-23.2 HA THR 18 - HB3 LYS 19 far 0 94 0 - 6.4-6.6 HA ALA 15 - HB3 LYS 19 far 0 95 0 - 6.5-13.8 HA LYS 26 - HB3 LYS 24 far 0 100 0 - 6.7-8.2 HA GLN 27 - HB3 LYS 31 far 0 76 0 - 7.1-11.4 HA ALA 21 - HB2 LYS 86 far 0 36 0 - 7.1-31.4 HA ALA 21 - HB3 LYS 19 far 0 67 0 - 7.2-8.0 HA SER 74 - HB3 LYS 24 far 0 86 0 - 7.3-23.2 HA THR 18 - HB2 LYS 86 far 0 55 0 - 7.4-35.1 HA LEU 22 - HB3 LYS 31 far 0 100 0 - 7.4-21.9 HA THR 25 - HB3 LYS 31 far 0 83 0 - 7.6-16.2 HA LEU 22 - HB3 LYS 19 far 0 98 0 - 7.6-9.6 HA LYS 26 - HB3 LYS 19 far 0 98 0 - 7.7-15.6 HA LYS 31 - HB2 LYS 36 far 0 85 0 - 7.8-9.5 HA GLN 27 - HB3 LYS 19 far 0 72 0 - 8.1-19.6 HA ARG 23 - HB3 LYS 26 far 0 98 0 - 8.1-10.1 HA LEU 22 - HB3 LYS 26 far 0 99 0 - 8.2-13.9 HA ALA 16 - HB2 LYS 86 far 0 59 0 - 8.3-40.6 HA ALA 21 - HB3 LYS 31 far 0 71 0 - 8.4-23.5 HA SER 74 - HB2 LYS 86 far 0 46 0 - 8.4-10.0 HA LYS 36 - HB3 LYS 26 far 0 92 0 - 8.7-14.1 HA THR 25 - HB2 LYS 36 far 0 64 0 - 9.0-16.2 HA ALA 28 - HB3 LYS 31 far 0 68 0 - 9.0-10.2 HA ALA 15 - HB2 LYS 86 far 0 57 0 - 9.0-41.5 HA THR 18 - HB3 LYS 24 far 0 96 0 - 9.0-14.7 HA GLN 27 - HB3 LYS 24 far 0 75 0 - 9.2-10.6 HA ALA 28 - HB3 LYS 24 far 0 67 0 - 9.3-14.5 HA ALA 12 - HB3 LYS 31 far 0 92 0 - 9.4-38.7 HA LYS 26 - HB2 LYS 36 far 0 85 0 - 9.4-16.2 HA THR 18 - HB3 LYS 31 far 0 97 0 - 9.5-26.0 HA ALA 16 - HB3 LYS 31 far 0 99 0 - 9.6-28.5 HA ALA 12 - HB2 LYS 86 far 0 50 0 - 9.6-40.8 HA PHE 87 - HB3 LYS 19 far 0 98 0 - 9.8-38.8 HA LEU 22 - HB2 LYS 86 far 0 59 0 - 9.9-28.1 Violated in 0 structures by 0.00 A. Peak 812 from aliabs.peaks (1.74, 1.81, 32.63 ppm; 2.50 A): 4 out of 28 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 far 6 57 10 - 3.0-5.2 HB2 LYS 31 - HB3 LYS 26 far 5 100 5 - 2.8-9.8 HB2 LYS 26 - HB3 LYS 31 far 0 100 0 - 3.3-12.5 HB2 ARG 23 - HB3 LYS 19 far 0 95 0 - 4.0-9.5 HB2 LYS 24 - HB3 LYS 19 far 0 98 0 - 4.2-14.4 HG3 ARG 90 - HB2 LYS 86 far 0 59 0 - 4.4-7.4 HB2 ARG 23 - HB3 LYS 31 far 0 98 0 - 5.4-20.0 HB2 LYS 31 - HB3 LYS 19 far 0 98 0 - 6.3-22.1 HB2 ARG 23 - HB3 LYS 24 far 0 97 0 - 6.3-7.9 HB2 LYS 19 - HB3 LYS 31 far 0 100 0 - 6.5-25.3 HB2 LYS 19 - HB3 LYS 24 far 0 100 0 - 6.6-15.6 HG3 ARG 90 - HB3 LYS 19 far 0 97 0 - 7.1-35.7 HB2 LYS 24 - HB3 LYS 31 far 0 100 0 - 7.9-19.1 HB2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.9-18.7 HB2 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.1-9.9 HB ILE 80 - HB3 LYS 19 far 0 96 0 - 8.3-34.8 HB2 LYS 26 - HB2 LYS 36 far 0 85 0 - 8.3-14.6 HB2 LYS 24 - HB3 LYS 26 far 0 100 0 - 8.6-10.2 HB2 ARG 23 - HB3 LYS 26 far 0 97 0 - 8.8-12.3 HB3 LEU 70 - HB3 LYS 24 far 0 59 0 - 9.0-28.8 HB2 LYS 31 - HB2 LYS 36 far 0 85 0 - 9.1-11.4 HB2 ARG 23 - HB2 LYS 86 far 0 57 0 - 9.5-29.3 HB2 LYS 19 - HB2 LYS 86 far 0 60 0 - 9.5-37.3 HB2 LYS 26 - HB3 LYS 19 far 0 98 0 - 9.7-17.7 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): 7 out of 26 assignments used, quality = 1.00: * HG2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.4-2.7 2.9=100 HG3 LYS 36 + HB2 LYS 36 OK 85 85 100 100 2.2-2.9 3.0=100 HG3 LYS 19 + HB3 LYS 19 OK 81 81 100 100 2.2-2.2 3.0=100 HG2 LYS 26 + HB3 LYS 26 OK 67 67 100 100 2.3-3.0 3.0=100 HG3 LYS 86 + HB2 LYS 86 OK 45 45 100 100 2.9-3.0 3.0=100 HG13 ILE 32 + HB3 LYS 26 OK 38 61 70 89 3.2-5.7 2.1/10751=31, 1.8/913=29...(22) HG2 LYS 26 - HB3 LYS 31 far 7 68 10 - 3.5-12.8 HG2 LYS 31 - HB3 LYS 26 far 0 100 0 - 5.1-12.2 HG13 ILE 32 - HB3 LYS 31 far 0 63 0 - 5.5-6.8 HG2 LYS 31 - HB3 LYS 19 far 0 98 0 - 5.6-22.9 HG3 LYS 24 - HB3 LYS 19 far 0 95 0 - 5.6-13.8 HG3 LYS 19 - HB3 LYS 31 far 0 85 0 - 6.3-24.1 HG13 ILE 32 - HB2 LYS 36 far 0 47 0 - 7.2-9.3 HG2 LYS 26 - HB3 LYS 24 far 0 67 0 - 7.5-10.2 HG3 LYS 19 - HB2 LYS 86 far 0 45 0 - 7.6-37.3 HG3 LYS 19 - HB3 LYS 24 far 0 84 0 - 7.9-15.5 HG3 LYS 86 - HB3 LYS 19 far 0 81 0 - 8.1-35.0 HG2 LYS 26 - HB2 LYS 36 far 0 51 0 - 8.3-12.6 HG3 LYS 24 - HB3 LYS 31 far 0 98 0 - 8.8-21.0 HG2 LYS 31 - HB2 LYS 36 far 0 85 0 - 9.0-11.1 QB ALA 92 - HB2 LYS 86 far 0 32 0 - 9.0-9.9 HG2 LYS 31 - HB3 LYS 24 far 0 100 0 - 9.1-21.2 HG2 LYS 26 - HB3 LYS 19 far 0 65 0 - 9.5-18.7 HG3 LYS 19 - HB3 LYS 26 far 0 83 0 - 9.9-18.0 HG13 ILE 32 - HB3 LYS 24 far 0 62 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 815 from aliabs.peaks (1.39, 1.81, 32.63 ppm; 3.87 A): 6 out of 42 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 2.5-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.4-3.0 2.9=100 HG2 LYS 19 + HB3 LYS 19 OK 88 88 100 100 2.7-2.8 3.0=100 HG2 LYS 36 + HB2 LYS 36 OK 83 83 100 100 2.7-2.9 3.0=100 HG2 LYS 86 + HB2 LYS 86 OK 31 31 100 100 2.3-2.7 3.0=100 QB ALA 28 - HB3 LYS 26 far 15 100 15 - 3.7-6.5 QB ALA 29 - HB3 LYS 26 far 10 98 10 - 4.0-7.6 HG3 LYS 31 - HB3 LYS 19 far 0 98 0 - 4.5-24.5 QB ALA 29 - HB2 LYS 36 far 0 82 0 - 5.0-8.1 HG3 LYS 31 - HB3 LYS 26 far 0 100 0 - 5.1-11.5 QB ALA 15 - HB3 LYS 19 far 0 98 0 - 5.1-12.8 HG3 LYS 26 - HB3 LYS 31 far 0 100 0 - 5.2-13.1 QB ALA 34 - HB2 LYS 36 far 0 44 0 - 5.4-6.8 HG2 LYS 24 - HB3 LYS 19 far 0 95 0 - 5.9-12.2 QB ALA 34 - HB3 LYS 26 far 0 59 0 - 6.0-8.6 QB ALA 12 - HB3 LYS 31 far 0 68 0 - 6.1-32.3 QB ALA 28 - HB3 LYS 31 far 0 100 0 - 6.3-7.6 QB ALA 28 - HB3 LYS 24 far 0 100 0 - 6.4-12.7 QB ALA 16 - HB3 LYS 31 far 0 99 0 - 6.4-24.2 QB ALA 16 - HB3 LYS 19 far 0 97 0 - 6.6-10.0 QB ALA 15 - HB2 LYS 86 far 0 60 0 - 6.7-33.6 HG2 LYS 19 - HB3 LYS 31 far 0 92 0 - 6.7-24.1 QB ALA 34 - HB3 LYS 19 far 0 57 0 - 6.8-21.7 QB ALA 12 - HB3 LYS 19 far 0 65 0 - 6.9-20.3 QB ALA 29 - HB3 LYS 31 far 0 99 0 - 7.0-7.7 QB ALA 34 - HB3 LYS 24 far 0 59 0 - 7.1-14.4 HG3 LYS 31 - HB2 LYS 36 far 0 85 0 - 7.5-12.4 HG3 LYS 26 - HB3 LYS 24 far 0 99 0 - 7.5-8.6 QB ALA 12 - HB2 LYS 86 far 0 34 0 - 7.7-34.0 HG2 LYS 24 - HB3 LYS 31 far 0 98 0 - 7.8-20.3 QB ALA 29 - HB3 LYS 24 far 0 99 0 - 7.8-14.9 HG3 LYS 26 - HB3 LYS 19 far 0 98 0 - 7.9-18.0 HG2 LYS 19 - HB3 LYS 24 far 0 91 0 - 8.1-14.8 HG2 LYS 86 - HB3 LYS 19 far 0 59 0 - 8.2-35.0 HG3 LYS 26 - HB2 LYS 36 far 0 84 0 - 8.6-13.7 HG2 LYS 19 - HB2 LYS 86 far 0 50 0 - 8.6-36.4 HG3 LYS 31 - HB3 LYS 24 far 0 100 0 - 8.9-20.1 QB ALA 16 - HB2 LYS 86 far 0 59 0 - 8.9-35.5 QB ALA 34 - HB3 LYS 31 far 0 60 0 - 9.3-10.0 QB ALA 12 - HB2 LYS 36 far 0 51 0 - 9.6-35.7 QB ALA 28 - HB2 LYS 36 far 0 85 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 816 from aliabs.peaks (1.65, 1.81, 32.63 ppm; 4.91 A): 12 out of 43 assignments used, quality = 1.00: * HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-3.8 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-4.1 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.1-3.7 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.0-3.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.5-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 98 98 100 100 2.0-3.3 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 98 98 100 100 3.5-4.1 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 97 97 100 100 3.3-4.2 3.9=100 HD3 LYS 36 + HB2 LYS 36 OK 83 83 100 100 3.0-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 82 82 100 100 2.0-3.2 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 60 60 100 100 3.5-3.8 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 60 60 100 100 2.5-2.9 3.5=100 HD2 LYS 26 - HB3 LYS 31 poor 20 100 20 - 4.7-11.2 HD3 LYS 26 - HB3 LYS 31 far 10 99 10 - 3.5-10.7 HD2 LYS 31 - HB3 LYS 19 far 5 98 5 - 3.4-23.3 HD3 LYS 31 - HB3 LYS 19 far 5 98 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 26 far 0 100 0 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 82 0 - 6.1-12.6 QB ALA 88 - HB2 LYS 86 far 0 57 0 - 6.3-6.9 HD2 LYS 26 - HB2 LYS 36 far 0 84 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 98 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 97 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 98 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 99 0 - 6.8-12.2 HG2 ARG 84 - HB2 LYS 86 far 0 46 0 - 7.2-8.5 HD3 LYS 86 - HB3 LYS 19 far 0 98 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 99 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 84 0 - 8.1-12.5 HG3 ARG 84 - HB2 LYS 86 far 0 50 0 - 8.2-9.7 HD2 LYS 31 - HB2 LYS 36 far 0 85 0 - 8.3-12.3 HD3 LYS 19 - HB2 LYS 86 far 0 58 0 - 8.4-38.5 HD2 LYS 19 - HB3 LYS 31 far 0 100 0 - 8.4-26.6 HD3 LYS 26 - HB3 LYS 24 far 0 99 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 99 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 99 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.3-10.5 HD2 LYS 19 - HB2 LYS 86 far 0 59 0 - 9.3-38.4 HD3 LYS 24 - HB3 LYS 26 far 0 99 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 97 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 98 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 98 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 99 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 99 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 817 from aliabs.peaks (1.66, 1.81, 32.63 ppm; 4.91 A): 12 out of 43 assignments used, quality = 1.00: * HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-4.1 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-3.8 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-3.2 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.1-3.7 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.0-3.3 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 96 96 100 100 3.5-4.1 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 94 94 100 100 3.3-4.2 3.9=100 HD3 LYS 36 + HB2 LYS 36 OK 84 84 100 100 3.0-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 84 84 100 100 2.0-3.2 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 60 60 100 100 3.5-3.8 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 59 59 100 100 2.5-2.9 3.5=100 HD2 LYS 26 - HB3 LYS 31 poor 20 100 20 - 4.7-11.2 HD3 LYS 26 - HB3 LYS 31 far 10 100 10 - 3.5-10.7 HD3 LYS 31 - HB3 LYS 19 far 5 98 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 19 far 5 98 5 - 3.4-23.3 HD2 LYS 31 - HB3 LYS 26 far 0 99 0 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 84 0 - 6.1-12.6 QB ALA 88 - HB2 LYS 86 far 0 59 0 - 6.3-6.9 HD2 LYS 26 - HB2 LYS 36 far 0 85 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 98 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 98 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 98 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 100 0 - 6.8-12.2 HG2 ARG 84 - HB2 LYS 86 far 0 42 0 - 7.2-8.5 HD3 LYS 86 - HB3 LYS 19 far 0 98 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 97 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 85 0 - 8.1-12.5 HG3 ARG 84 - HB2 LYS 86 far 0 46 0 - 8.2-9.7 HD2 LYS 31 - HB2 LYS 36 far 0 84 0 - 8.3-12.3 HD3 LYS 19 - HB2 LYS 86 far 0 56 0 - 8.4-38.5 HD2 LYS 19 - HB3 LYS 31 far 0 99 0 - 8.4-26.6 HD3 LYS 26 - HB3 LYS 24 far 0 99 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 98 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 100 0 - 9.3-10.5 HD2 LYS 19 - HB2 LYS 86 far 0 57 0 - 9.3-38.4 HD3 LYS 24 - HB3 LYS 26 far 0 99 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 98 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 98 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 99 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 97 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 818 from aliabs.peaks (2.96, 1.81, 32.63 ppm; 6.80 A): 11 out of 37 assignments used, quality = 1.00: * HE2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-5.3 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.6-5.0 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.2-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 99 99 100 100 3.7-4.6 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.0-5.0 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 98 98 100 100 3.2-5.4 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 98 98 100 100 3.3-5.4 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 95 95 100 100 2.4-4.6 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 85 85 100 100 2.8-4.2 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 85 85 100 100 3.5-4.5 4.9=100 HE3 LYS 86 + HB2 LYS 86 OK 60 60 100 100 1.8-3.6 4.9=100 HE2 LYS 26 - HB3 LYS 31 far 15 100 15 - 6.3-12.4 HE3 LYS 26 - HB3 LYS 31 far 15 100 15 - 6.0-13.3 HE2 LYS 26 - HB2 LYS 36 far 8 85 10 - 5.4-11.8 HE2 LYS 31 - HB3 LYS 26 far 5 100 5 - 6.8-14.2 HE2 LYS 31 - HB3 LYS 19 far 5 98 5 - 5.6-25.7 HE3 LYS 31 - HB3 LYS 26 far 5 99 5 - 6.5-14.0 HE3 LYS 26 - HB3 LYS 19 far 5 98 5 - 7.3-19.5 HE3 LYS 86 - HB3 LYS 19 far 5 98 5 - 6.9-34.7 HE3 LYS 31 - HB3 LYS 19 far 5 97 5 - 4.9-25.2 HE2 LYS 24 - HB3 LYS 19 far 5 97 5 - 6.7-14.4 HE3 LYS 24 - HB3 LYS 19 far 5 92 5 - 5.6-14.9 HE3 LYS 26 - HB2 LYS 36 far 4 84 5 - 7.1-12.9 HE3 LYS 19 - HB2 LYS 86 far 3 60 5 - 7.1-39.5 HE3 LYS 26 - HB3 LYS 24 far 0 100 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 85 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 98 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 100 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 100 0 - 8.2-25.8 HE2 LYS 19 - HB2 LYS 86 far 0 60 0 - 8.2-39.5 HE2 LYS 26 - HB3 LYS 24 far 0 100 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 83 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 100 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 100 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 99 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 100 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 819 from aliabs.peaks (2.95, 1.81, 32.63 ppm; 6.80 A): 11 out of 37 assignments used, quality = 1.00: * HE3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-5.0 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.0-5.0 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.0-5.3 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.4-4.6 5.1=100 HE2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 3.6-5.0 4.8=100 HE3 LYS 19 + HB3 LYS 19 OK 98 98 100 100 3.2-5.4 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 98 98 100 100 3.3-5.4 5.1=100 HE3 LYS 26 + HB3 LYS 26 OK 97 97 100 100 3.7-4.6 4.8=100 HE3 LYS 36 + HB2 LYS 36 OK 82 82 100 100 2.8-4.2 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 82 82 100 100 3.5-4.5 4.9=100 HE3 LYS 86 + HB2 LYS 86 OK 60 60 100 100 1.8-3.6 4.9=100 HE2 LYS 26 - HB3 LYS 31 far 15 99 15 - 6.3-12.4 HE3 LYS 26 - HB3 LYS 31 far 15 98 15 - 6.0-13.3 HE2 LYS 26 - HB2 LYS 36 far 8 83 10 - 5.4-11.8 HE3 LYS 31 - HB3 LYS 26 far 5 100 5 - 6.5-14.0 HE3 LYS 31 - HB3 LYS 19 far 5 98 5 - 4.9-25.2 HE2 LYS 31 - HB3 LYS 26 far 5 99 5 - 6.8-14.2 HE2 LYS 24 - HB3 LYS 19 far 5 98 5 - 6.7-14.4 HE3 LYS 86 - HB3 LYS 19 far 5 98 5 - 6.9-34.7 HE3 LYS 24 - HB3 LYS 19 far 5 97 5 - 5.6-14.9 HE2 LYS 31 - HB3 LYS 19 far 5 97 5 - 5.6-25.7 HE3 LYS 26 - HB3 LYS 19 far 5 95 5 - 7.3-19.5 HE3 LYS 26 - HB2 LYS 36 far 4 80 5 - 7.1-12.9 HE3 LYS 19 - HB2 LYS 86 far 3 60 5 - 7.1-39.5 HE3 LYS 26 - HB3 LYS 24 far 0 97 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 83 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 97 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 100 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 100 0 - 8.2-25.8 HE2 LYS 19 - HB2 LYS 86 far 0 60 0 - 8.2-39.5 HE2 LYS 26 - HB3 LYS 24 far 0 99 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 85 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 100 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 100 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 100 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 99 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 822 from aliabs.peaks (4.27, 1.46, 24.57 ppm; 3.72 A): 4 out of 36 assignments used, quality = 1.00: * HA LYS 31 + HG2 LYS 31 OK 99 100 100 99 2.2-3.7 3.8=93, 793/1.8=25...(21) HA LYS 19 + HG3 LYS 19 OK 60 61 100 99 4.2-4.2 4.2=72, ~6151=35...(39) HA LYS 36 + HG3 LYS 36 OK 57 58 100 99 3.4-3.5 4.1=73, 3.6/6407=38...(27) HA LEU 22 + HG3 LYS 24 OK 22 92 45 54 3.6-7.2 6212/6223=13, ~1309=11...(12) HA ARG 23 - HG2 LYS 31 far 5 99 5 - 3.0-18.6 HA ALA 16 - HG3 LYS 19 far 3 59 5 - 4.0-9.6 HA LYS 19 - HG3 LYS 24 far 0 93 0 - 4.3-12.8 HA ALA 15 - HG3 LYS 19 far 0 57 0 - 4.4-13.1 HA ARG 23 - HG3 LYS 24 far 0 90 0 - 4.8-6.7 HA ALA 21 - HG3 LYS 24 far 0 61 0 - 5.0-10.5 HA SER 74 - HG3 LYS 19 far 0 47 0 - 5.1-34.0 HA ALA 12 - HG3 LYS 19 far 0 51 0 - 5.5-22.9 HA LYS 31 - HG3 LYS 19 far 0 61 0 - 6.2-25.0 HA LYS 19 - HG2 LYS 31 far 0 100 0 - 6.3-23.8 HA THR 25 - HG3 LYS 24 far 0 73 0 - 6.4-6.9 HA THR 18 - HG3 LYS 19 far 0 55 0 - 6.4-6.9 HA LYS 26 - HG2 LYS 31 far 0 100 0 - 6.5-13.6 HA ALA 21 - HG2 LYS 31 far 0 71 0 - 6.7-24.0 HA LEU 22 - HG2 LYS 31 far 0 100 0 - 7.0-21.4 HA ALA 12 - HG2 LYS 31 far 0 92 0 - 7.1-37.0 HA ARG 23 - HG3 LYS 19 far 0 58 0 - 7.2-11.5 HA THR 25 - HG3 LYS 19 far 0 44 0 - 7.7-16.4 HA GLN 27 - HG3 LYS 19 far 0 39 0 - 7.7-20.5 HA ALA 21 - HG3 LYS 19 far 0 36 0 - 7.8-8.4 HA LYS 26 - HG3 LYS 19 far 0 61 0 - 7.8-16.3 HA PHE 87 - HG3 LYS 19 far 0 61 0 - 8.0-39.9 HA THR 18 - HG3 LYS 24 far 0 87 0 - 8.1-14.4 HA LYS 26 - HG3 LYS 24 far 0 93 0 - 8.4-9.7 HA THR 25 - HG2 LYS 31 far 0 83 0 - 8.5-17.3 HA THR 18 - HG2 LYS 31 far 0 97 0 - 8.8-25.6 HA LEU 22 - HG3 LYS 19 far 0 60 0 - 9.1-10.5 HA GLN 27 - HG2 LYS 31 far 0 76 0 - 9.1-13.1 HA ALA 16 - HG2 LYS 31 far 0 99 0 - 9.2-27.3 HA ALA 28 - HG3 LYS 24 far 0 59 0 - 9.2-16.3 HA LYS 31 - HG3 LYS 36 far 0 67 0 - 9.3-10.6 HA SER 74 - HG3 LYS 24 far 0 77 0 - 9.4-24.1 Violated in 0 structures by 0.00 A. Peak 823 from aliabs.peaks (1.74, 1.46, 24.57 ppm; 3.79 A): 3 out of 18 assignments used, quality = 1.00: * HB2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-2.9 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 2.7-2.8 3.0=100 HB2 ARG 23 - HG2 LYS 31 far 5 98 5 - 3.0-20.5 HB2 LYS 26 - HG2 LYS 31 far 0 100 0 - 4.5-14.0 HB2 ARG 23 - HG3 LYS 24 far 0 90 0 - 4.8-8.2 HG3 ARG 90 - HG3 LYS 19 far 0 59 0 - 5.3-36.6 HB2 ARG 23 - HG3 LYS 19 far 0 57 0 - 5.8-11.0 HB2 LYS 19 - HG3 LYS 24 far 0 93 0 - 6.1-14.5 HB2 LYS 24 - HG3 LYS 19 far 0 61 0 - 6.3-15.3 HB2 LYS 31 - HG3 LYS 19 far 0 61 0 - 6.6-22.5 HB2 LYS 19 - HG2 LYS 31 far 0 100 0 - 7.2-24.6 HB2 LYS 31 - HG3 LYS 24 far 0 93 0 - 7.4-19.6 HB2 LYS 24 - HG2 LYS 31 far 0 100 0 - 8.1-20.1 HB ILE 80 - HG3 LYS 19 far 0 58 0 - 8.2-35.9 HB2 LYS 26 - HG3 LYS 19 far 0 61 0 - 9.5-17.7 HB3 LEU 70 - HG3 LYS 24 far 0 51 0 - 10.0-29.7 HB2 LYS 26 - HG3 LYS 24 far 0 93 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 824 from aliabs.peaks (1.81, 1.46, 24.57 ppm; 3.47 A): 4 out of 22 assignments used, quality = 1.00: * HB3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 93 93 100 100 2.4-2.7 2.9=100 HB2 LYS 36 + HG3 LYS 36 OK 66 66 100 100 2.2-2.9 3.0=100 HB3 LYS 19 + HG3 LYS 19 OK 60 60 100 100 2.2-2.2 3.0=100 HB3 ARG 23 - HG3 LYS 24 far 0 92 0 - 4.3-7.9 HB3 ARG 23 - HG2 LYS 31 far 0 99 0 - 4.5-21.6 HB3 LYS 26 - HG2 LYS 31 far 0 100 0 - 5.1-12.2 HB3 LYS 19 - HG2 LYS 31 far 0 100 0 - 5.6-22.9 HB3 LYS 19 - HG3 LYS 24 far 0 92 0 - 5.6-13.8 HB3 LYS 31 - HG3 LYS 19 far 0 61 0 - 6.3-24.1 HB ILE 32 - HG2 LYS 31 far 0 100 0 - 6.8-8.1 HB3 ARG 23 - HG3 LYS 19 far 0 59 0 - 7.1-11.4 HB ILE 32 - HG3 LYS 36 far 0 67 0 - 7.4-8.7 HB2 LYS 86 - HG3 LYS 19 far 0 47 0 - 7.6-37.3 HB3 LYS 24 - HG3 LYS 19 far 0 61 0 - 7.9-15.5 HB2 CYS 79 - HG3 LYS 24 far 0 77 0 - 8.1-24.5 HB2 CYS 79 - HG3 LYS 19 far 0 47 0 - 8.4-32.1 HB VAL 93 - HG3 LYS 19 far 0 50 0 - 8.6-39.5 HB3 LYS 31 - HG3 LYS 24 far 0 93 0 - 8.8-21.0 HB2 LYS 36 - HG2 LYS 31 far 0 100 0 - 9.0-11.1 HB3 LYS 24 - HG2 LYS 31 far 0 100 0 - 9.1-21.2 HB3 LYS 26 - HG3 LYS 19 far 0 61 0 - 9.9-18.0 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 30 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 15 - HG3 LYS 19 far 0 60 0 - 3.8-11.7 QB ALA 12 - HG2 LYS 31 far 0 68 0 - 4.3-31.0 QB ALA 16 - HG3 LYS 19 far 0 59 0 - 4.9-8.8 HG3 LYS 31 - HG3 LYS 19 far 0 61 0 - 5.7-24.8 HG3 LYS 26 - HG2 LYS 31 far 0 100 0 - 5.9-14.2 QB ALA 16 - HG2 LYS 31 far 0 99 0 - 6.1-23.6 HG2 LYS 19 - HG2 LYS 31 far 0 92 0 - 6.2-23.2 QB ALA 12 - HG3 LYS 19 far 0 34 0 - 6.3-19.8 QB ALA 28 - HG3 LYS 24 far 0 93 0 - 6.3-14.2 QB ALA 29 - HG3 LYS 36 far 0 65 0 - 6.3-10.1 QB ALA 34 - HG3 LYS 36 far 0 33 0 - 7.4-7.6 HG2 LYS 24 - HG2 LYS 31 far 0 98 0 - 7.5-21.3 HG2 LYS 86 - HG3 LYS 19 far 0 31 0 - 7.5-36.1 HG2 LYS 19 - HG3 LYS 24 far 0 82 0 - 7.6-13.9 HG3 LYS 31 - HG3 LYS 24 far 0 93 0 - 7.7-21.4 QB ALA 34 - HG3 LYS 24 far 0 51 0 - 7.8-15.6 QB ALA 29 - HG2 LYS 31 far 0 99 0 - 7.9-9.1 QB ALA 34 - HG3 LYS 19 far 0 30 0 - 7.9-22.3 HG2 LYS 24 - HG3 LYS 19 far 0 57 0 - 8.0-13.2 QB ALA 34 - HG2 LYS 31 far 0 60 0 - 8.1-9.8 QB ALA 28 - HG2 LYS 31 far 0 100 0 - 8.2-9.6 HG3 LYS 26 - HG3 LYS 19 far 0 60 0 - 8.4-18.3 HG3 LYS 31 - HG3 LYS 36 far 0 67 0 - 8.7-13.1 HG3 LYS 26 - HG3 LYS 24 far 0 93 0 - 9.1-10.6 QB ALA 29 - HG3 LYS 24 far 0 91 0 - 9.9-16.2 HB2 LEU 42 - HG3 LYS 36 far 0 60 0 - 10.0-11.5 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 31 assignments used, quality = 1.00: * HD2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HG3 LYS 24 OK 93 93 100 100 2.3-3.0 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 2.7-2.9 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 65 65 100 100 2.8-3.0 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 60 60 100 100 2.9-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 59 59 100 100 2.3-2.8 3.0=100 HD3 LYS 31 - HG3 LYS 19 far 3 61 5 - 3.5-23.9 HD3 LYS 26 - HG2 LYS 31 far 0 99 0 - 4.0-11.7 HD2 LYS 31 - HG3 LYS 19 far 0 61 0 - 4.2-23.7 HD2 LYS 26 - HG2 LYS 31 far 0 100 0 - 5.7-12.1 HD2 LYS 86 - HG3 LYS 19 far 0 61 0 - 6.6-34.0 HD3 LYS 86 - HG3 LYS 19 far 0 61 0 - 7.2-35.0 HD3 LYS 24 - HG3 LYS 19 far 0 61 0 - 7.6-15.9 HD2 LYS 19 - HG3 LYS 24 far 0 92 0 - 8.0-16.0 HD2 LYS 36 - HG2 LYS 31 far 0 99 0 - 8.0-10.5 HD3 LYS 26 - HG3 LYS 36 far 0 65 0 - 8.3-14.1 HD2 LYS 24 - HG3 LYS 19 far 0 59 0 - 8.4-15.6 HD3 LYS 19 - HG2 LYS 31 far 0 99 0 - 8.5-25.2 HD2 LYS 19 - HG2 LYS 31 far 0 100 0 - 8.5-25.7 HD2 LYS 26 - HG3 LYS 36 far 0 66 0 - 8.6-12.6 HD3 LYS 26 - HG3 LYS 19 far 0 59 0 - 9.0-20.4 HD3 LYS 36 - HG2 LYS 31 far 0 99 0 - 9.2-11.8 HD3 LYS 19 - HG3 LYS 24 far 0 91 0 - 9.2-16.2 HD3 LYS 31 - HG3 LYS 36 far 0 67 0 - 9.4-14.3 HD2 LYS 26 - HG3 LYS 19 far 0 60 0 - 9.5-19.8 HD2 LYS 31 - HG3 LYS 36 far 0 67 0 - 9.5-14.0 HD2 LYS 86 - HG3 LYS 24 far 0 93 0 - 9.7-25.0 HD3 LYS 31 - HG3 LYS 24 far 0 93 0 - 9.8-22.2 HD2 LYS 24 - HG2 LYS 31 far 0 99 0 - 10.0-23.6 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 31 assignments used, quality = 1.00: * HD3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 67 67 100 100 2.7-2.9 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 66 66 100 100 2.8-3.0 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 58 58 100 100 2.9-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 56 56 100 100 2.3-2.8 3.0=100 HD3 LYS 31 - HG3 LYS 19 far 3 61 5 - 3.5-23.9 HD3 LYS 26 - HG2 LYS 31 far 0 100 0 - 4.0-11.7 HD2 LYS 31 - HG3 LYS 19 far 0 61 0 - 4.2-23.7 HD2 LYS 26 - HG2 LYS 31 far 0 100 0 - 5.7-12.1 HD2 LYS 86 - HG3 LYS 19 far 0 61 0 - 6.6-34.0 HD3 LYS 86 - HG3 LYS 19 far 0 60 0 - 7.2-35.0 HD3 LYS 24 - HG3 LYS 19 far 0 60 0 - 7.6-15.9 HD2 LYS 19 - HG3 LYS 24 far 0 90 0 - 8.0-16.0 HD2 LYS 36 - HG2 LYS 31 far 0 100 0 - 8.0-10.5 HD3 LYS 26 - HG3 LYS 36 far 0 66 0 - 8.3-14.1 HD2 LYS 24 - HG3 LYS 19 far 0 61 0 - 8.4-15.6 HD3 LYS 19 - HG2 LYS 31 far 0 97 0 - 8.5-25.2 HD2 LYS 19 - HG2 LYS 31 far 0 99 0 - 8.5-25.7 HD2 LYS 26 - HG3 LYS 36 far 0 67 0 - 8.6-12.6 HD3 LYS 26 - HG3 LYS 19 far 0 60 0 - 9.0-20.4 HD3 LYS 36 - HG2 LYS 31 far 0 100 0 - 9.2-11.8 HD3 LYS 19 - HG3 LYS 24 far 0 89 0 - 9.2-16.2 HD3 LYS 31 - HG3 LYS 36 far 0 67 0 - 9.4-14.3 HD2 LYS 26 - HG3 LYS 19 far 0 61 0 - 9.5-19.8 HD2 LYS 31 - HG3 LYS 36 far 0 67 0 - 9.5-14.0 HD2 LYS 86 - HG3 LYS 24 far 0 93 0 - 9.7-25.0 HD3 LYS 31 - HG3 LYS 24 far 0 93 0 - 9.8-22.2 HD2 LYS 24 - HG2 LYS 31 far 0 100 0 - 10.0-23.6 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 31 assignments used, quality = 1.00: * HE2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.1-4.0 3.7=100 HE3 LYS 31 + HG2 LYS 31 OK 99 99 100 100 2.0-4.2 3.7=100 HE2 LYS 24 + HG3 LYS 24 OK 92 92 100 100 2.3-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 86 86 100 100 2.3-3.9 4.0=100 HE3 LYS 36 + HG3 LYS 36 OK 67 67 100 100 2.0-3.5 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 67 67 100 100 2.0-3.5 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 61 61 100 100 2.1-3.9 3.8=100 HE3 LYS 19 + HG3 LYS 19 OK 61 61 100 100 2.2-3.7 3.8=100 HE3 LYS 31 - HG3 LYS 19 far 3 59 5 - 4.4-25.7 HE2 LYS 31 - HG3 LYS 19 far 0 61 0 - 5.6-26.1 HE3 LYS 86 - HG3 LYS 19 far 0 60 0 - 5.8-35.8 HE3 LYS 26 - HG2 LYS 31 far 0 100 0 - 5.9-14.3 HE2 LYS 26 - HG2 LYS 31 far 0 100 0 - 6.5-13.4 HE3 LYS 24 - HG3 LYS 19 far 0 54 0 - 7.0-15.8 HE2 LYS 26 - HG3 LYS 36 far 0 67 0 - 7.1-13.4 HE3 LYS 26 - HG3 LYS 19 far 0 61 0 - 7.3-20.0 HE3 LYS 36 - HG2 LYS 31 far 0 100 0 - 7.4-12.4 HE2 LYS 26 - HG3 LYS 19 far 0 61 0 - 7.6-21.0 HE3 LYS 19 - HG2 LYS 31 far 0 100 0 - 7.7-26.4 HE2 LYS 36 - HG2 LYS 31 far 0 100 0 - 8.0-11.8 HE2 LYS 19 - HG2 LYS 31 far 0 100 0 - 8.4-24.8 HE2 LYS 24 - HG3 LYS 19 far 0 59 0 - 8.4-15.9 HE3 LYS 19 - HG3 LYS 24 far 0 93 0 - 8.6-17.0 HE3 LYS 26 - HG3 LYS 36 far 0 67 0 - 8.8-14.3 HE2 LYS 31 - HG3 LYS 36 far 0 67 0 - 8.9-14.6 HE2 LYS 24 - HG2 LYS 31 far 0 99 0 - 9.0-23.6 HE2 LYS 19 - HG3 LYS 24 far 0 93 0 - 9.3-16.7 HE3 LYS 26 - HG3 LYS 24 far 0 93 0 - 9.3-11.4 HE2 LYS 26 - HG3 LYS 24 far 0 93 0 - 9.7-13.1 HE3 LYS 31 - HG3 LYS 36 far 0 65 0 - 9.7-14.5 HE3 LYS 86 - HG3 LYS 24 far 0 93 0 - 9.8-26.1 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 31 assignments used, quality = 1.00: * HE3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG2 LYS 31 OK 99 99 100 100 2.1-4.0 3.7=100 HE2 LYS 24 + HG3 LYS 24 OK 93 93 100 100 2.3-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 92 92 100 100 2.3-3.9 4.0=100 HE3 LYS 36 + HG3 LYS 36 OK 65 65 100 100 2.0-3.5 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 65 65 100 100 2.0-3.5 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 61 61 100 100 2.1-3.9 3.8=100 HE3 LYS 19 + HG3 LYS 19 OK 61 61 100 100 2.2-3.7 3.8=100 HE3 LYS 31 - HG3 LYS 19 far 3 61 5 - 4.4-25.7 HE2 LYS 31 - HG3 LYS 19 far 0 59 0 - 5.6-26.1 HE3 LYS 86 - HG3 LYS 19 far 0 61 0 - 5.8-35.8 HE3 LYS 26 - HG2 LYS 31 far 0 98 0 - 5.9-14.3 HE2 LYS 26 - HG2 LYS 31 far 0 99 0 - 6.5-13.4 HE3 LYS 24 - HG3 LYS 19 far 0 59 0 - 7.0-15.8 HE2 LYS 26 - HG3 LYS 36 far 0 65 0 - 7.1-13.4 HE3 LYS 26 - HG3 LYS 19 far 0 57 0 - 7.3-20.0 HE3 LYS 36 - HG2 LYS 31 far 0 99 0 - 7.4-12.4 HE2 LYS 26 - HG3 LYS 19 far 0 59 0 - 7.6-21.0 HE3 LYS 19 - HG2 LYS 31 far 0 100 0 - 7.7-26.4 HE2 LYS 36 - HG2 LYS 31 far 0 99 0 - 8.0-11.8 HE2 LYS 19 - HG2 LYS 31 far 0 100 0 - 8.4-24.8 HE2 LYS 24 - HG3 LYS 19 far 0 61 0 - 8.4-15.9 HE3 LYS 19 - HG3 LYS 24 far 0 93 0 - 8.6-17.0 HE3 LYS 26 - HG3 LYS 36 far 0 63 0 - 8.8-14.3 HE2 LYS 31 - HG3 LYS 36 far 0 65 0 - 8.9-14.6 HE2 LYS 24 - HG2 LYS 31 far 0 100 0 - 9.0-23.6 HE2 LYS 19 - HG3 LYS 24 far 0 93 0 - 9.3-16.7 HE3 LYS 26 - HG3 LYS 24 far 0 90 0 - 9.3-11.4 HE2 LYS 26 - HG3 LYS 24 far 0 92 0 - 9.7-13.1 HE3 LYS 31 - HG3 LYS 36 far 0 67 0 - 9.7-14.5 HE3 LYS 86 - HG3 LYS 24 far 0 93 0 - 9.8-26.1 Violated in 0 structures by 0.00 A. Peak 833 from aliabs.peaks (4.27, 1.39, 24.57 ppm; 3.59 A): 6 out of 47 assignments used, quality = 1.00: * HA LYS 31 + HG3 LYS 31 OK 98 100 100 98 2.2-3.7 3.8=84, 822/1.8=29...(21) HA LYS 26 + HG3 LYS 26 OK 98 99 100 99 2.6-3.7 4.0=70, 2.9/6253=56...(31) HA LYS 19 + HG2 LYS 19 OK 76 77 100 99 3.5-3.6 4.2=64, 3.0/6151=47...(39) HA THR 25 + HG3 LYS 26 OK 73 80 100 90 3.1-4.0 11150=60, 3.6/6253=48...(10) HA LYS 36 + HG2 LYS 36 OK 55 56 100 99 3.1-3.3 4.1=66, 3.0/6394=50...(29) HA LEU 22 + HG2 LYS 24 OK 34 92 60 61 2.7-6.3 374/10703=20...(12) HA ARG 23 - HG3 LYS 31 far 5 99 5 - 3.3-17.9 HA ARG 23 - HG2 LYS 24 far 5 90 5 - 4.1-5.3 HA ALA 16 - HG2 LYS 19 far 4 75 5 - 3.4-8.5 HA ALA 21 - HG2 LYS 24 far 3 61 5 - 3.3-8.9 HA GLN 27 - HG3 LYS 26 far 0 74 0 - 4.4-6.6 HA THR 18 - HG2 LYS 19 far 0 70 0 - 4.7-5.2 HA LYS 19 - HG2 LYS 24 far 0 93 0 - 4.8-11.2 HA LYS 19 - HG3 LYS 31 far 0 100 0 - 4.8-25.5 HA ALA 28 - HG3 LYS 26 far 0 66 0 - 5.4-8.4 HA ALA 15 - HG2 LYS 19 far 0 72 0 - 5.5-11.6 HA LEU 22 - HG3 LYS 31 far 0 100 0 - 6.0-22.9 HA ALA 21 - HG3 LYS 31 far 0 71 0 - 6.0-24.0 HA ALA 21 - HG2 LYS 19 far 0 47 0 - 6.3-6.9 HA THR 25 - HG2 LYS 24 far 0 73 0 - 6.3-6.5 HA LYS 31 - HG3 LYS 26 far 0 99 0 - 6.6-12.4 HA SER 74 - HG2 LYS 19 far 0 60 0 - 6.7-33.1 HA LYS 26 - HG3 LYS 31 far 0 100 0 - 6.8-12.7 HA ARG 23 - HG2 LYS 19 far 0 73 0 - 6.8-10.5 HA ARG 23 - HG3 LYS 26 far 0 97 0 - 6.9-9.9 HA ALA 12 - HG3 LYS 31 far 0 92 0 - 6.9-38.6 HA LYS 31 - HG2 LYS 19 far 0 77 0 - 6.9-25.0 HA ALA 12 - HG2 LYS 19 far 0 65 0 - 7.0-21.6 HA LEU 22 - HG3 LYS 26 far 0 98 0 - 7.5-13.1 HA THR 18 - HG2 LYS 24 far 0 87 0 - 7.5-12.7 HA THR 18 - HG3 LYS 31 far 0 97 0 - 7.6-27.1 HA LYS 36 - HG3 LYS 26 far 0 91 0 - 7.8-13.9 HA LEU 22 - HG2 LYS 19 far 0 75 0 - 7.9-9.4 HA LYS 26 - HG2 LYS 24 far 0 93 0 - 8.0-9.2 HA GLN 27 - HG2 LYS 19 far 0 51 0 - 8.7-19.9 HA THR 25 - HG2 LYS 19 far 0 57 0 - 8.7-15.3 HA PHE 87 - HG2 LYS 19 far 0 77 0 - 8.7-38.9 HA ALA 21 - HG3 LYS 26 far 0 69 0 - 8.9-15.7 HA GLN 27 - HG3 LYS 31 far 0 76 0 - 8.9-12.5 HA LYS 26 - HG2 LYS 19 far 0 76 0 - 8.9-15.8 HA ALA 28 - HG2 LYS 24 far 0 59 0 - 9.0-15.1 HA THR 25 - HG3 LYS 31 far 0 83 0 - 9.2-16.6 HA THR 18 - HG3 LYS 26 far 0 95 0 - 9.4-18.6 HA ALA 16 - HG3 LYS 31 far 0 99 0 - 9.4-28.3 HA LYS 31 - HG2 LYS 24 far 0 93 0 - 9.5-19.9 HA LYS 19 - HG3 LYS 26 far 0 99 0 - 9.9-17.8 HA GLN 27 - HG2 LYS 24 far 0 66 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 834 from aliabs.peaks (1.74, 1.39, 24.57 ppm; 3.63 A): 4 out of 21 assignments used, quality = 1.00: * HB2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.5-3.0 3.0=100 HB2 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.3-3.0 2.9=100 HB2 LYS 19 + HG2 LYS 19 OK 77 77 100 100 2.9-2.9 3.0=100 HB2 LYS 31 - HG3 LYS 26 far 10 99 10 - 4.0-11.8 HB2 ARG 23 - HG3 LYS 31 far 5 98 5 - 3.4-19.1 HB2 ARG 23 - HG2 LYS 24 far 0 90 0 - 4.9-6.7 HB2 LYS 26 - HG3 LYS 31 far 0 100 0 - 5.1-12.9 HB2 ARG 23 - HG2 LYS 19 far 0 72 0 - 5.8-10.2 HB2 LYS 19 - HG3 LYS 31 far 0 100 0 - 6.0-26.3 HB2 LYS 24 - HG2 LYS 19 far 0 77 0 - 6.4-14.3 HG3 ARG 90 - HG2 LYS 19 far 0 75 0 - 6.6-35.6 HB2 LYS 31 - HG2 LYS 24 far 0 93 0 - 6.6-18.9 HB2 LYS 19 - HG2 LYS 24 far 0 93 0 - 6.7-13.0 HB2 ARG 23 - HG3 LYS 26 far 0 96 0 - 6.8-11.8 HB2 LYS 24 - HG3 LYS 26 far 0 99 0 - 7.1-8.9 HB2 LYS 31 - HG2 LYS 19 far 0 77 0 - 7.6-22.5 HB2 LYS 24 - HG3 LYS 31 far 0 100 0 - 7.7-20.6 HB2 LYS 26 - HG2 LYS 24 far 0 93 0 - 9.2-11.0 HB2 LYS 19 - HG3 LYS 26 far 0 99 0 - 9.3-19.3 HB ILE 80 - HG2 LYS 19 far 0 73 0 - 9.7-35.2 Violated in 0 structures by 0.00 A. Peak 835 from aliabs.peaks (1.81, 1.39, 24.57 ppm; 3.38 A): 5 out of 30 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 2.5-3.0 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.4-3.0 2.9=100 HB3 LYS 19 + HG2 LYS 19 OK 75 75 100 100 2.7-2.8 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 64 64 100 100 2.7-2.9 3.0=100 HB3 LYS 19 - HG3 LYS 31 far 0 100 0 - 4.5-24.5 HB3 ARG 23 - HG2 LYS 24 far 0 92 0 - 4.5-6.6 HB3 ARG 23 - HG3 LYS 31 far 0 99 0 - 5.0-20.1 HB3 LYS 26 - HG3 LYS 31 far 0 100 0 - 5.1-11.5 HB3 LYS 31 - HG3 LYS 26 far 0 99 0 - 5.2-13.1 HB3 ARG 23 - HG3 LYS 26 far 0 98 0 - 5.2-11.9 HB ILE 32 - HG3 LYS 26 far 0 99 0 - 5.4-7.7 HB3 LYS 19 - HG2 LYS 24 far 0 92 0 - 5.9-12.2 HB ILE 32 - HG3 LYS 31 far 0 100 0 - 6.3-8.2 HB3 LYS 31 - HG2 LYS 19 far 0 77 0 - 6.7-24.1 HB3 ARG 23 - HG2 LYS 19 far 0 75 0 - 7.0-10.5 HB2 LYS 36 - HG3 LYS 31 far 0 100 0 - 7.5-12.4 HB3 LYS 24 - HG3 LYS 26 far 0 99 0 - 7.5-8.6 HB ILE 32 - HG2 LYS 36 far 0 65 0 - 7.6-8.8 HB3 LYS 31 - HG2 LYS 24 far 0 93 0 - 7.8-20.3 HB3 LYS 19 - HG3 LYS 26 far 0 98 0 - 7.9-18.0 HB3 LYS 24 - HG2 LYS 19 far 0 76 0 - 8.1-14.8 HB2 LYS 36 - HG3 LYS 26 far 0 98 0 - 8.6-13.7 HB2 LYS 86 - HG2 LYS 19 far 0 60 0 - 8.6-36.4 HB2 CYS 79 - HG2 LYS 36 far 0 50 0 - 8.7-10.3 HB3 LYS 24 - HG3 LYS 31 far 0 100 0 - 8.9-20.1 HB2 CYS 79 - HG2 LYS 19 far 0 60 0 - 9.5-31.5 HB2 CYS 79 - HG3 LYS 26 far 0 85 0 - 9.7-15.8 HB2 CYS 79 - HG2 LYS 24 far 0 77 0 - 9.7-23.7 HB VAL 93 - HG2 LYS 19 far 0 63 0 - 9.8-38.5 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 21 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 HG2 LYS 26 - HG3 LYS 31 far 0 68 0 - 4.7-13.7 HG13 ILE 32 - HG3 LYS 26 far 0 61 0 - 4.7-7.3 HG3 LYS 19 - HG3 LYS 31 far 0 85 0 - 5.7-24.8 HG2 LYS 31 - HG3 LYS 26 far 0 99 0 - 5.9-14.2 HG2 LYS 31 - HG2 LYS 19 far 0 77 0 - 6.2-23.2 HG13 ILE 32 - HG3 LYS 31 far 0 63 0 - 6.4-7.6 HG2 LYS 31 - HG2 LYS 24 far 0 93 0 - 7.5-21.3 HG3 LYS 24 - HG2 LYS 19 far 0 72 0 - 7.6-13.9 HG3 LYS 24 - HG3 LYS 31 far 0 98 0 - 7.7-21.4 HG3 LYS 19 - HG2 LYS 24 far 0 75 0 - 8.0-13.2 HG3 LYS 19 - HG3 LYS 26 far 0 83 0 - 8.4-18.3 HG3 LYS 36 - HG3 LYS 31 far 0 100 0 - 8.7-13.1 HG3 LYS 86 - HG2 LYS 19 far 0 58 0 - 8.9-35.4 HG2 LYS 26 - HG2 LYS 24 far 0 59 0 - 9.0-11.7 HG3 LYS 24 - HG3 LYS 26 far 0 96 0 - 9.1-10.6 HG13 ILE 32 - HG2 LYS 36 far 0 34 0 - 9.9-10.8 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 37 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 2.2-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.3-3.0 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.6-3.0 2.9=100 HD3 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.4-3.0 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 2.2-2.7 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 74 74 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 63 63 100 100 2.2-2.3 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 62 62 100 100 2.7-2.9 3.0=100 HD3 LYS 31 - HG2 LYS 19 far 4 76 5 - 3.6-23.8 HD3 LYS 26 - HG3 LYS 31 far 0 99 0 - 4.1-12.0 HD2 LYS 31 - HG2 LYS 19 far 0 77 0 - 4.9-23.9 HD2 LYS 26 - HG3 LYS 31 far 0 100 0 - 5.4-12.2 HD2 LYS 36 - HG3 LYS 31 far 0 99 0 - 6.6-10.5 HD3 LYS 31 - HG3 LYS 26 far 0 99 0 - 6.8-14.4 HD2 LYS 31 - HG3 LYS 26 far 0 99 0 - 6.9-14.3 HD2 LYS 19 - HG3 LYS 31 far 0 100 0 - 7.5-27.4 HD3 LYS 24 - HG2 LYS 19 far 0 76 0 - 7.5-14.7 HD3 LYS 19 - HG3 LYS 31 far 0 99 0 - 7.7-26.9 HD2 LYS 86 - HG2 LYS 19 far 0 77 0 - 7.8-33.2 HD3 LYS 36 - HG3 LYS 31 far 0 99 0 - 7.9-11.7 HD3 LYS 86 - HG2 LYS 19 far 0 76 0 - 8.2-34.2 HD2 LYS 24 - HG2 LYS 19 far 0 75 0 - 8.4-14.5 HD2 LYS 19 - HG2 LYS 24 far 0 92 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 62 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 64 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 99 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 93 0 - 9.0-21.0 HD2 LYS 36 - HG3 LYS 26 far 0 98 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 91 0 - 9.3-12.6 HD2 LYS 24 - HG3 LYS 31 far 0 99 0 - 9.3-22.5 HD2 LYS 31 - HG2 LYS 24 far 0 93 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 91 0 - 9.5-14.5 HD3 LYS 24 - HG3 LYS 31 far 0 100 0 - 9.8-21.7 HD3 LYS 26 - HG2 LYS 19 far 0 74 0 - 9.8-19.7 HD2 LYS 24 - HG3 LYS 26 far 0 98 0 - 9.8-11.8 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 37 assignments used, quality = 1.00: * HD3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.6-3.0 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 2.4-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 73 73 100 100 2.2-2.7 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 71 71 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 64 64 100 100 2.2-2.3 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 64 64 100 100 2.7-2.9 3.0=100 HD3 LYS 31 - HG2 LYS 19 far 4 77 5 - 3.6-23.8 HD3 LYS 26 - HG3 LYS 31 far 0 100 0 - 4.1-12.0 HD2 LYS 31 - HG2 LYS 19 far 0 76 0 - 4.9-23.9 HD2 LYS 26 - HG3 LYS 31 far 0 100 0 - 5.4-12.2 HD2 LYS 36 - HG3 LYS 31 far 0 100 0 - 6.6-10.5 HD3 LYS 31 - HG3 LYS 26 far 0 99 0 - 6.8-14.4 HD2 LYS 31 - HG3 LYS 26 far 0 99 0 - 6.9-14.3 HD2 LYS 19 - HG3 LYS 31 far 0 99 0 - 7.5-27.4 HD3 LYS 24 - HG2 LYS 19 far 0 75 0 - 7.5-14.7 HD3 LYS 19 - HG3 LYS 31 far 0 97 0 - 7.7-26.9 HD2 LYS 86 - HG2 LYS 19 far 0 76 0 - 7.8-33.2 HD3 LYS 36 - HG3 LYS 31 far 0 100 0 - 7.9-11.7 HD3 LYS 86 - HG2 LYS 19 far 0 75 0 - 8.2-34.2 HD2 LYS 24 - HG2 LYS 19 far 0 76 0 - 8.4-14.5 HD2 LYS 19 - HG2 LYS 24 far 0 90 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 64 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 65 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 98 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 93 0 - 9.0-21.0 HD2 LYS 36 - HG3 LYS 26 far 0 99 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 93 0 - 9.3-12.6 HD2 LYS 24 - HG3 LYS 31 far 0 100 0 - 9.3-22.5 HD2 LYS 31 - HG2 LYS 24 far 0 93 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 89 0 - 9.5-14.5 HD3 LYS 24 - HG3 LYS 31 far 0 100 0 - 9.8-21.7 HD3 LYS 26 - HG2 LYS 19 far 0 76 0 - 9.8-19.7 HD2 LYS 24 - HG3 LYS 26 far 0 99 0 - 9.8-11.8 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 41 assignments used, quality = 1.00: * HE2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.1-4.2 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.0-4.0 3.7=100 HE2 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.3-3.8 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.0-3.4 3.6=100 HE2 LYS 24 + HG2 LYS 24 OK 92 92 100 100 2.1-4.1 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 86 86 100 100 2.0-4.2 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 76 76 100 100 2.1-4.1 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 76 76 100 100 2.8-3.7 3.8=100 HE3 LYS 36 + HG2 LYS 36 OK 65 65 100 100 3.1-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 65 65 100 100 3.1-4.1 4.0=100 HE3 LYS 31 - HG2 LYS 19 far 4 75 5 - 4.6-26.0 HE2 LYS 26 - HG3 LYS 31 far 0 100 0 - 6.1-13.8 HE2 LYS 31 - HG2 LYS 19 far 0 77 0 - 6.1-26.2 HE3 LYS 26 - HG3 LYS 31 far 0 100 0 - 6.1-14.7 HE3 LYS 36 - HG3 LYS 31 far 0 100 0 - 6.3-11.5 HE3 LYS 24 - HG2 LYS 19 far 0 69 0 - 6.5-14.6 HE2 LYS 36 - HG3 LYS 31 far 0 100 0 - 6.5-12.0 HE3 LYS 86 - HG2 LYS 19 far 0 76 0 - 6.8-34.9 HE2 LYS 26 - HG2 LYS 36 far 0 65 0 - 7.3-12.6 HE3 LYS 19 - HG3 LYS 31 far 0 100 0 - 7.7-28.1 HE2 LYS 24 - HG2 LYS 19 far 0 75 0 - 8.0-15.1 HE2 LYS 24 - HG3 LYS 31 far 0 99 0 - 8.1-23.8 HE2 LYS 31 - HG3 LYS 26 far 0 99 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 98 0 - 8.6-15.9 HE2 LYS 19 - HG3 LYS 31 far 0 100 0 - 8.6-26.5 HE3 LYS 26 - HG2 LYS 24 far 0 93 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 19 far 0 76 0 - 8.8-19.2 HE3 LYS 26 - HG2 LYS 36 far 0 64 0 - 8.9-13.8 HE2 LYS 26 - HG2 LYS 19 far 0 77 0 - 9.0-20.5 HE2 LYS 19 - HG3 LYS 26 far 0 99 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 93 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 40 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 65 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 93 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 93 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 99 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 99 0 - 9.8-15.3 HE3 LYS 24 - HG3 LYS 31 far 0 96 0 - 9.8-23.3 HE2 LYS 26 - HG2 LYS 24 far 0 93 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 98 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 92 0 - 10.0-22.2 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 41 assignments used, quality = 1.00: * HE3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.0-4.0 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.1-4.2 3.7=100 HE2 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.3-3.8 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 96 96 100 100 2.0-3.4 3.6=100 HE2 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.1-4.1 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 92 92 100 100 2.0-4.2 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 76 76 100 100 2.1-4.1 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 76 76 100 100 2.8-3.7 3.8=100 HE3 LYS 36 + HG2 LYS 36 OK 62 62 100 100 3.1-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 62 62 100 100 3.1-4.1 4.0=100 HE3 LYS 31 - HG2 LYS 19 far 4 77 5 - 4.6-26.0 HE2 LYS 26 - HG3 LYS 31 far 0 99 0 - 6.1-13.8 HE2 LYS 31 - HG2 LYS 19 far 0 75 0 - 6.1-26.2 HE3 LYS 26 - HG3 LYS 31 far 0 98 0 - 6.1-14.7 HE3 LYS 36 - HG3 LYS 31 far 0 99 0 - 6.3-11.5 HE3 LYS 24 - HG2 LYS 19 far 0 75 0 - 6.5-14.6 HE2 LYS 36 - HG3 LYS 31 far 0 99 0 - 6.5-12.0 HE3 LYS 86 - HG2 LYS 19 far 0 76 0 - 6.8-34.9 HE2 LYS 26 - HG2 LYS 36 far 0 63 0 - 7.3-12.6 HE3 LYS 19 - HG3 LYS 31 far 0 100 0 - 7.7-28.1 HE2 LYS 24 - HG2 LYS 19 far 0 77 0 - 8.0-15.1 HE2 LYS 24 - HG3 LYS 31 far 0 100 0 - 8.1-23.8 HE2 LYS 31 - HG3 LYS 26 far 0 98 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 99 0 - 8.6-15.9 HE2 LYS 19 - HG3 LYS 31 far 0 100 0 - 8.6-26.5 HE3 LYS 26 - HG2 LYS 24 far 0 90 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 19 far 0 72 0 - 8.8-19.2 HE3 LYS 26 - HG2 LYS 36 far 0 61 0 - 8.9-13.8 HE2 LYS 26 - HG2 LYS 19 far 0 75 0 - 9.0-20.5 HE2 LYS 19 - HG3 LYS 26 far 0 99 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 93 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 50 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 63 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 92 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 93 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 99 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 98 0 - 9.8-15.3 HE3 LYS 24 - HG3 LYS 31 far 0 99 0 - 9.8-23.3 HE2 LYS 26 - HG2 LYS 24 far 0 92 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 99 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 93 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 844 from aliabs.peaks (4.27, 1.65, 28.90 ppm; 6.80 A): 22 out of 91 assignments used, quality = 1.00: * HA LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.0-4.7 5.2=100 HA LYS 31 + HD3 LYS 31 OK 100 100 100 100 1.9-4.8 5.2=100 HA LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.0-5.1 5.0=100 HA LYS 26 + HD3 LYS 26 OK 97 97 100 100 2.0-5.3 5.0=100 HA LYS 19 + HD2 LYS 19 OK 84 84 100 100 3.5-4.4 5.2=100 HA LYS 36 + HD3 LYS 36 OK 82 82 100 100 4.9-5.2 5.3=100 HA LYS 19 + HD3 LYS 19 OK 81 81 100 100 3.8-5.0 5.2=100 HA THR 25 + HD2 LYS 26 OK 80 81 100 99 4.9-6.7 11150/2.9=75, 582/5.7=68...(10) HA ARG 23 + HD3 LYS 24 OK 80 92 90 97 4.0-7.6 424/5.9=84, ~832=28...(17) HA LYS 36 + HD2 LYS 36 OK 80 80 100 100 4.6-4.6 5.3=100 HA THR 18 + HD2 LYS 19 OK 78 78 100 100 5.0-5.5 3.2/10696=91...(15) HA LEU 22 + HD3 LYS 24 OK 76 94 95 86 3.7-8.5 ~1309=29, 11967/3.0=28...(11) HA THR 25 + HD3 LYS 26 OK 76 77 100 99 5.2-6.8 11150/2.9=75, 582/5.7=68...(10) HA THR 18 + HD3 LYS 19 OK 75 75 100 100 5.6-7.0 ~10696=86, ~10692=83...(15) HA THR 25 + HD3 LYS 24 OK 74 75 100 100 5.8-7.0 ~6234=78, ~522=70...(10) HA LEU 22 + HD2 LYS 24 OK 74 91 95 86 3.2-9.0 ~1309=29, 11967/3.0=28...(11) HA GLN 27 + HD2 LYS 26 OK 70 74 95 99 3.5-7.5 3.0/6267=47, ~6264=46...(21) HA ARG 23 + HD2 LYS 24 OK 68 89 80 97 5.0-7.8 424/5.9=84, ~832=28...(20) HA GLN 27 + HD3 LYS 26 OK 66 70 95 99 3.1-7.9 3.0/6267=47, ~6264=46...(21) HA ALA 28 + HD2 LYS 26 OK 41 66 85 72 4.2-7.8 3.0/10771=38, ~10771=32...(10) HA ALA 28 + HD3 LYS 26 OK 35 63 80 70 3.9-9.2 ~10771=34, 3.0/10771=32...(10) HA THR 25 + HD2 LYS 24 OK 35 71 50 100 6.5-8.0 ~6234=78, ~522=70...(10) HA ALA 15 - HD2 LYS 19 poor 16 80 20 - 5.7-11.6 HA LYS 31 - HD2 LYS 26 poor 10 99 25 39 5.1-10.1 6342/6348=18...(7) HA LYS 19 - HD3 LYS 24 far 10 95 10 - 6.6-13.2 HA LYS 31 - HD3 LYS 26 poor 9 97 25 39 4.0-10.4 6342/6348=16...(9) HA ARG 23 - HD3 LYS 26 far 9 94 10 - 6.4-12.1 HA LYS 19 - HD2 LYS 24 far 9 92 10 - 6.5-12.9 HA LYS 36 - HD2 LYS 26 far 9 92 10 - 5.9-11.4 HA ALA 16 - HD2 LYS 19 lone 9 82 85 12 4.1-8.2 7131/6.2=3, 3.6/292=2 HA ALA 16 - HD3 LYS 19 lone 6 79 65 12 4.7-9.2 7131/6.2=3, 3.6/292=2 HA LYS 19 - HD2 LYS 31 far 5 100 5 - 5.1-24.1 HA LYS 19 - HD3 LYS 31 far 5 100 5 - 4.2-24.3 HA LYS 26 - HD2 LYS 31 far 5 100 5 - 6.5-14.6 HA ALA 16 - HD2 LYS 31 far 5 99 5 - 7.3-28.5 HA ARG 23 - HD2 LYS 31 far 5 99 5 - 5.5-19.1 HA ALA 16 - HD3 LYS 31 far 5 99 5 - 7.0-28.5 HA ARG 23 - HD3 LYS 31 far 5 98 5 - 5.4-17.9 HA THR 18 - HD3 LYS 31 far 5 96 5 - 7.1-26.4 HA LYS 26 - HD3 LYS 24 far 5 95 5 - 6.8-10.5 HA ALA 12 - HD2 LYS 95 far 5 90 5 - 6.9-40.4 HA ALA 12 - HD3 LYS 95 far 4 89 5 - 7.1-39.3 HA LYS 36 - HD3 LYS 26 far 4 88 5 - 6.0-12.7 HA ALA 21 - HD3 LYS 31 far 3 70 5 - 6.6-23.8 HA ALA 12 - HD3 LYS 19 far 3 69 5 - 6.5-20.5 HA SER 74 - HD2 LYS 19 far 3 67 5 - 6.2-35.4 HA SER 74 - HD3 LYS 19 far 3 64 5 - 4.6-35.1 HA ALA 21 - HD2 LYS 24 lone 1 59 40 4 5.2-10.9 HA ALA 21 - HD3 LYS 24 lone 1 63 35 4 5.0-11.3 HA ALA 15 - HD3 LYS 19 lone 1 77 30 3 6.2-11.9 HA LYS 31 - HD2 LYS 36 far 0 90 0 - 7.5-8.1 HA ALA 12 - HD2 LYS 19 far 0 72 0 - 7.6-20.3 HA SER 74 - HD3 LYS 24 far 0 79 0 - 7.6-23.3 HA ALA 21 - HD3 LYS 19 far 0 50 0 - 7.7-9.8 HA ALA 12 - HD2 LYS 31 far 0 92 0 - 7.7-38.2 HA LEU 22 - HD3 LYS 31 far 0 99 0 - 7.8-22.1 HA LYS 26 - HD3 LYS 31 far 0 100 0 - 7.8-13.5 HA LYS 26 - HD2 LYS 24 far 0 92 0 - 7.8-10.9 HA ALA 21 - HD2 LYS 19 far 0 53 0 - 7.8-8.6 HA ARG 23 - HD2 LYS 26 far 0 97 0 - 7.9-11.1 HA ALA 21 - HD2 LYS 31 far 0 71 0 - 8.2-24.8 HA LYS 31 - HD3 LYS 19 far 0 81 0 - 8.3-27.0 HA LEU 22 - HD2 LYS 26 far 0 99 0 - 8.4-15.7 HA SER 74 - HD2 LYS 24 far 0 75 0 - 8.4-24.9 HA ARG 23 - HD3 LYS 19 far 0 78 0 - 8.4-12.6 HA ALA 12 - HD3 LYS 31 far 0 91 0 - 8.4-38.1 HA LEU 22 - HD3 LYS 26 far 0 96 0 - 8.5-15.5 HA LEU 22 - HD2 LYS 19 far 0 83 0 - 8.6-11.0 HA LEU 22 - HD2 LYS 31 far 0 100 0 - 8.6-22.9 HA ARG 23 - HD2 LYS 19 far 0 81 0 - 8.7-12.2 HA THR 18 - HD2 LYS 24 far 0 86 0 - 8.7-12.7 HA THR 18 - HD2 LYS 31 far 0 97 0 - 8.7-26.2 HA THR 25 - HD3 LYS 31 far 0 82 0 - 8.7-17.7 HA SER 124 - HD3 LYS 95 far 0 62 0 - 8.8-12.3 HA SER 124 - HD2 LYS 95 far 0 64 0 - 8.8-12.6 HA LYS 31 - HD2 LYS 19 far 0 84 0 - 8.9-27.5 HA LYS 31 - HD3 LYS 36 far 0 92 0 - 9.1-9.5 HA THR 18 - HD3 LYS 24 far 0 89 0 - 9.1-13.3 HA THR 25 - HD2 LYS 31 far 0 83 0 - 9.2-17.6 HA ALA 15 - HD3 LYS 31 far 0 97 0 - 9.4-29.3 HA GLN 27 - HD3 LYS 31 far 0 75 0 - 9.4-13.4 HA GLN 27 - HD2 LYS 31 far 0 76 0 - 9.5-14.5 HA LEU 22 - HD3 LYS 19 far 0 80 0 - 9.5-12.1 HA ARG 23 - HD2 LYS 36 far 0 87 0 - 9.5-19.6 HA GLN 27 - HD3 LYS 24 far 0 68 0 - 9.6-12.5 HA THR 25 - HD2 LYS 19 far 0 63 0 - 9.6-17.8 HA LYS 19 - HD3 LYS 26 far 0 97 0 - 9.7-20.2 HA PHE 87 - HD3 LYS 95 far 0 99 0 - 9.7-12.5 HA PHE 87 - HD3 LYS 19 far 0 81 0 - 9.9-41.0 HA PHE 87 - HD2 LYS 19 far 0 84 0 - 10.0-40.9 HA LYS 26 - HD3 LYS 19 far 0 81 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 845 from aliabs.peaks (1.74, 1.65, 28.90 ppm; 4.74 A): 8 out of 48 assignments used, quality = 1.00: * HB2 LYS 31 + HD2 LYS 31 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 + HD2 LYS 26 OK 99 99 100 100 2.1-4.0 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 97 97 100 100 2.3-3.9 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.6-3.7 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 92 92 100 100 2.6-4.2 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-3.2 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.0-3.5 3.9=100 HB2 LYS 31 - HD2 LYS 26 poor 20 99 20 - 3.7-10.0 HB2 LYS 31 - HD3 LYS 26 poor 19 97 20 - 2.1-9.6 HB2 LYS 19 - HD2 LYS 31 far 5 100 5 - 5.2-25.0 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.6-25.0 HB2 ARG 23 - HD3 LYS 31 far 5 97 5 - 4.8-19.6 HB2 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.4-13.3 HG3 ARG 90 - HD3 LYS 19 far 0 79 0 - 5.6-37.6 HB2 ARG 23 - HD3 LYS 24 far 0 91 0 - 5.6-9.0 HB2 ARG 23 - HD2 LYS 31 far 0 98 0 - 5.7-20.8 HB2 ARG 23 - HD2 LYS 24 far 0 88 0 - 6.0-9.1 HB2 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.1-13.8 HG3 ARG 90 - HD2 LYS 19 far 0 82 0 - 6.5-37.7 HG13 ILE 129 - HD3 LYS 95 far 0 99 0 - 7.1-11.4 HB2 ARG 23 - HD3 LYS 19 far 0 77 0 - 7.3-12.6 HB2 LYS 24 - HD2 LYS 19 far 0 84 0 - 7.3-16.3 HG13 ILE 129 - HD2 LYS 95 far 0 100 0 - 7.3-11.5 HB2 ARG 23 - HD2 LYS 19 far 0 80 0 - 7.5-11.9 HB2 ARG 23 - HD3 LYS 26 far 0 94 0 - 7.5-14.0 HB ILE 80 - HD3 LYS 19 far 0 78 0 - 7.8-37.4 HB2 ARG 23 - HD2 LYS 26 far 0 97 0 - 7.8-13.1 HB2 LYS 19 - HD3 LYS 24 far 0 95 0 - 7.9-15.5 HB2 LYS 24 - HD3 LYS 26 far 0 97 0 - 7.9-11.0 HB2 LYS 31 - HD3 LYS 19 far 0 81 0 - 8.2-24.6 HB2 LYS 19 - HD2 LYS 24 far 0 92 0 - 8.2-15.2 HB2 LYS 24 - HD3 LYS 19 far 0 81 0 - 8.2-16.3 HB2 LYS 31 - HD2 LYS 36 far 0 90 0 - 8.4-9.8 HB2 LYS 26 - HD3 LYS 24 far 0 95 0 - 8.4-11.9 HG3 ARG 90 - HD3 LYS 95 far 0 97 0 - 8.5-12.5 HB2 LYS 24 - HD2 LYS 26 far 0 99 0 - 8.6-11.1 HB2 LYS 31 - HD2 LYS 24 far 0 92 0 - 8.8-21.3 HG3 ARG 90 - HD2 LYS 95 far 0 99 0 - 9.2-11.8 HB ILE 80 - HD2 LYS 19 far 0 81 0 - 9.2-37.4 HB2 LYS 31 - HD2 LYS 19 far 0 84 0 - 9.2-25.0 HB2 LYS 31 - HD3 LYS 24 far 0 95 0 - 9.4-20.4 HB2 ARG 23 - HD2 LYS 36 far 0 86 0 - 9.5-21.1 HB2 LYS 26 - HD2 LYS 24 far 0 92 0 - 9.6-12.5 HB2 LYS 31 - HD3 LYS 36 far 0 92 0 - 9.7-11.4 HG3 ARG 90 - HD3 LYS 24 far 0 94 0 - 9.8-25.6 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 9.9-20.2 HB2 LYS 24 - HD2 LYS 31 far 0 100 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 846 from aliabs.peaks (1.81, 1.65, 28.90 ppm; 5.74 A): 14 out of 64 assignments used, quality = 1.00: * HB3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.0-3.8 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.1-4.1 3.5=100 HB ILE 32 + HD2 LYS 26 OK 99 99 100 100 4.2-5.1 ~10767=66, ~10766=57...(58) HB3 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.0-3.2 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 97 97 100 100 2.0-3.3 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.1-3.7 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 92 92 100 100 2.5-4.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 91 91 100 100 3.0-4.0 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 89 89 100 100 2.0-3.2 3.5=100 HB3 LYS 19 + HD2 LYS 19 OK 83 83 100 100 3.5-4.1 3.9=100 HB3 LYS 19 + HD3 LYS 19 OK 80 80 100 100 3.3-4.2 3.9=100 HB ILE 32 + HD3 LYS 26 OK 78 97 80 100 3.4-6.5 10833/1.8=65, ~10766=57...(63) HB ILE 32 + HD2 LYS 36 OK 41 90 60 75 5.9-6.8 6361/10855=43...(7) HB3 ARG 23 + HD3 LYS 24 OK 21 94 40 57 4.2-8.9 ~833=8, 3.0/3938=8...(21) HB3 LYS 31 - HD2 LYS 26 poor 20 99 20 - 4.7-11.2 HB3 LYS 31 - HD3 LYS 26 far 15 97 15 - 3.5-10.7 HB3 ARG 23 - HD2 LYS 24 far 14 90 15 - 5.3-8.9 HB VAL 93 - HD3 LYS 95 far 9 87 10 - 5.6-8.6 HB3 LYS 19 - HD2 LYS 31 far 5 100 5 - 3.4-23.3 HB3 LYS 26 - HD2 LYS 31 far 5 100 5 - 5.9-12.3 HB3 LYS 19 - HD3 LYS 31 far 5 99 5 - 3.0-23.2 HB2 LYS 36 - HD2 LYS 26 far 5 99 5 - 6.3-11.2 HB2 LYS 36 - HD3 LYS 26 far 5 96 5 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 26 far 5 96 5 - 6.3-14.3 HB3 LEU 98 - HD2 LYS 95 far 3 59 5 - 6.3-9.1 HB3 LYS 19 - HD3 LYS 24 far 0 94 0 - 6.4-14.8 HB VAL 93 - HD2 LYS 95 far 0 89 0 - 6.4-8.7 HB ILE 32 - HD3 LYS 31 far 0 100 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 99 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 98 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 100 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 91 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.8-12.2 HB3 LEU 98 - HD3 LYS 95 far 0 57 0 - 7.0-9.0 HB3 ARG 23 - HD2 LYS 31 far 0 99 0 - 7.3-22.1 HB ILE 32 - HD3 LYS 36 far 0 92 0 - 7.6-8.5 HB3 LYS 31 - HD3 LYS 19 far 0 81 0 - 8.1-26.2 HB2 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.1-12.5 HB2 CYS 79 - HD3 LYS 19 far 0 64 0 - 8.3-33.8 HB2 LYS 36 - HD2 LYS 31 far 0 100 0 - 8.3-12.3 HB2 LYS 86 - HD3 LYS 19 far 0 64 0 - 8.4-38.5 HB3 LYS 31 - HD2 LYS 19 far 0 84 0 - 8.4-26.6 HB VAL 93 - HD3 LYS 19 far 0 68 0 - 8.4-40.5 HB3 ARG 23 - HD3 LYS 19 far 0 79 0 - 8.5-12.9 HB2 CYS 79 - HD2 LYS 24 far 0 75 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 85 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 97 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 19 far 0 84 0 - 8.8-16.9 HB3 LYS 24 - HD2 LYS 26 far 0 99 0 - 8.8-11.0 HB3 ARG 23 - HD2 LYS 19 far 0 82 0 - 8.9-12.7 HB VAL 93 - HD2 LYS 19 far 0 71 0 - 9.3-40.8 HB3 LYS 31 - HD2 LYS 36 far 0 90 0 - 9.3-10.5 HB2 LYS 86 - HD2 LYS 19 far 0 67 0 - 9.3-38.4 HB3 LYS 26 - HD3 LYS 24 far 0 95 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 96 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 99 0 - 9.5-19.2 HB3 LYS 26 - HD2 LYS 36 far 0 90 0 - 9.7-12.7 HB2 CYS 79 - HD3 LYS 36 far 0 75 0 - 9.8-11.3 HB2 CYS 79 - HD2 LYS 36 far 0 73 0 - 9.8-11.7 HB3 LYS 24 - HD3 LYS 19 far 0 81 0 - 9.8-17.0 HB3 ARG 23 - HD2 LYS 36 far 0 89 0 - 9.9-20.6 HB2 CYS 79 - HD3 LYS 24 far 0 79 0 - 9.9-24.7 HB2 CYS 79 - HD2 LYS 19 far 0 67 0 - 9.9-33.8 HB3 LYS 31 - HD2 LYS 24 far 0 92 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 847 from aliabs.peaks (1.46, 1.65, 28.90 ppm; 5.64 A): 14 out of 45 assignments used, quality = 1.00: * HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.7-2.9 3.0=100 HG3 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.3-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 90 90 100 100 2.8-3.0 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 2.9-3.0 3.0=100 HG2 LYS 26 + HD3 LYS 26 OK 63 63 100 100 2.2-3.0 2.9=100 HG3 LYS 19 + HD3 LYS 19 OK 62 62 100 100 2.3-2.8 3.0=100 QB ALA 92 + HD3 LYS 95 OK 62 62 100 100 4.5-5.9 2.1/9941=55, 9948/3.7=43...(21) HG13 ILE 32 + HD2 LYS 26 OK 61 61 100 100 2.3-5.4 ~10767=77, 4.1/10763=47...(69) QB ALA 92 + HD2 LYS 95 OK 58 64 90 100 3.1-6.5 ~9941=54, 9948/3.7=43...(21) HG13 ILE 32 + HD3 LYS 26 OK 58 58 100 100 3.4-5.5 ~10766=44, ~10840=44...(67) HG2 LYS 31 - HD2 LYS 26 far 15 99 15 - 5.7-12.1 HG2 LYS 31 - HD3 LYS 26 far 15 97 15 - 4.0-11.7 HG3 LYS 19 - HD2 LYS 31 far 8 85 10 - 4.2-23.7 HG2 LYS 26 - HD2 LYS 31 far 7 68 10 - 5.2-13.9 HG2 LYS 26 - HD3 LYS 31 far 7 67 10 - 5.1-14.0 HG3 LYS 19 - HD3 LYS 31 far 4 84 5 - 3.5-23.9 HG13 ILE 32 - HD2 LYS 31 far 3 63 5 - 6.0-8.4 HG13 ILE 32 - HD3 LYS 31 far 3 62 5 - 6.2-9.0 HG3 LYS 86 - HD3 LYS 19 far 0 62 0 - 6.8-37.6 HG3 LYS 19 - HD3 LYS 24 far 0 77 0 - 7.6-15.9 HG3 LYS 86 - HD2 LYS 19 far 0 65 0 - 8.0-37.5 HG3 LYS 24 - HD2 LYS 19 far 0 80 0 - 8.0-16.0 HG2 LYS 31 - HD2 LYS 36 far 0 90 0 - 8.0-10.5 HG13 ILE 32 - HD2 LYS 36 far 0 51 0 - 8.1-8.6 HG3 LYS 36 - HD3 LYS 26 far 0 97 0 - 8.3-14.1 HG2 LYS 26 - HD3 LYS 24 far 0 60 0 - 8.3-12.6 HG3 LYS 19 - HD2 LYS 24 far 0 73 0 - 8.4-15.6 HG2 LYS 31 - HD3 LYS 19 far 0 81 0 - 8.5-25.2 HG2 LYS 31 - HD2 LYS 19 far 0 84 0 - 8.5-25.7 HG3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.6-12.6 HG3 LYS 19 - HD3 LYS 26 far 0 79 0 - 9.0-20.4 HG2 LYS 31 - HD3 LYS 36 far 0 92 0 - 9.2-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 56 0 - 9.2-12.8 HG3 LYS 24 - HD3 LYS 19 far 0 77 0 - 9.2-16.2 HG3 LYS 36 - HD3 LYS 31 far 0 100 0 - 9.4-14.3 HG2 LYS 26 - HD2 LYS 24 far 0 57 0 - 9.4-13.2 HG3 LYS 19 - HD2 LYS 26 far 0 83 0 - 9.5-19.8 HG3 LYS 36 - HD2 LYS 31 far 0 100 0 - 9.5-14.0 HG3 LYS 24 - HD3 LYS 31 far 0 97 0 - 9.8-22.2 HG13 ILE 32 - HD3 LYS 36 far 0 52 0 - 9.8-10.3 HG2 LYS 31 - HD2 LYS 24 far 0 92 0 - 10.0-23.6 Violated in 0 structures by 0.00 A. Peak 848 from aliabs.peaks (1.39, 1.65, 28.90 ppm; 4.99 A): 15 out of 92 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 2.2-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.3-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 98 98 100 100 2.5-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 96 96 100 100 2.6-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.4-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 91 91 100 100 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 89 89 100 100 2.7-2.9 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 2.2-2.7 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 69 69 100 100 2.3-3.0 3.0=100 QB ALA 29 + HD2 LYS 26 OK 27 98 45 60 2.5-6.4 10790/10833=24...(14) QB ALA 28 - HD3 LYS 26 poor 19 97 20 - 4.7-8.5 QB ALA 29 - HD3 LYS 26 poor 15 95 30 52 2.3-7.8 10739/10829=17...(14) QB ALA 28 - HD2 LYS 26 poor 13 99 25 54 4.9-7.9 6304/10771=21, ~10771=17...(9) HG3 LYS 31 - HD3 LYS 26 far 10 97 10 - 4.1-12.0 QB ALA 34 - HD3 LYS 26 poor 9 55 40 39 4.4-7.4 10885/10800=37, 3.6/659=2 QB ALA 16 - HD2 LYS 31 far 5 99 5 - 4.6-24.2 HG3 LYS 31 - HD2 LYS 26 far 5 99 5 - 5.4-12.2 QB ALA 16 - HD3 LYS 31 far 5 99 5 - 4.2-24.3 HG2 LYS 19 - HD2 LYS 31 far 5 92 5 - 4.9-23.9 HG2 LYS 19 - HD3 LYS 31 far 5 91 5 - 3.6-23.8 QB ALA 15 - HD2 LYS 19 far 4 83 5 - 3.8-10.9 QB ALA 15 - HD3 LYS 19 far 4 80 5 - 3.7-10.4 QB ALA 16 - HD2 LYS 19 lone 4 82 55 8 3.5-7.5 7141/6.2=1...(3) QB ALA 12 - HD2 LYS 31 far 3 68 5 - 4.5-32.1 QB ALA 12 - HD3 LYS 31 far 3 67 5 - 5.2-32.1 QB ALA 12 - HD2 LYS 95 far 3 67 5 - 5.6-32.8 QB ALA 12 - HD3 LYS 95 far 3 65 5 - 5.5-31.9 QB ALA 16 - HD3 LYS 19 lone 3 79 55 7 4.2-7.8 7141/6.2=1 QB ALA 34 - HD2 LYS 26 lone 1 58 45 4 4.2-7.0 3.6/648=3 QB ALA 34 - HD2 LYS 36 far 0 49 0 - 5.8-6.1 QB ALA 29 - HD2 LYS 36 far 0 88 0 - 6.1-9.0 QB ALA 34 - HD3 LYS 36 far 0 50 0 - 6.3-6.6 HG3 LYS 31 - HD2 LYS 36 far 0 90 0 - 6.6-10.5 HB2 LEU 96 - HD2 LYS 95 far 0 99 0 - 6.7-9.2 HG3 LYS 26 - HD3 LYS 31 far 0 99 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.9-14.3 HB2 LEU 96 - HD3 LYS 95 far 0 98 0 - 7.1-8.9 QB ALA 12 - HD3 LYS 19 far 0 48 0 - 7.4-17.7 HG LEU 96 - HD3 LYS 95 far 0 93 0 - 7.4-9.8 QB ALA 29 - HD3 LYS 36 far 0 89 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 99 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 98 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 84 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 84 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 81 0 - 7.7-26.9 QB ALA 15 - HD3 LYS 95 far 0 98 0 - 7.8-38.1 QB ALA 34 - HD3 LYS 19 far 0 42 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 59 0 - 7.9-10.9 QB ALA 28 - HD3 LYS 31 far 0 100 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 95 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 92 0 - 7.9-11.7 HG2 LYS 86 - HD3 LYS 19 far 0 44 0 - 8.0-37.5 HG LEU 96 - HD2 LYS 95 far 0 94 0 - 8.0-10.0 QB ALA 15 - HD2 LYS 95 far 0 99 0 - 8.0-39.2 QB ALA 34 - HD2 LYS 31 far 0 60 0 - 8.0-10.8 QB ALA 28 - HD2 LYS 24 far 0 92 0 - 8.1-15.1 QB ALA 28 - HD2 LYS 31 far 0 100 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 51 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 80 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 80 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 96 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 56 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 96 0 - 8.6-22.7 QB ALA 34 - HD2 LYS 24 far 0 50 0 - 8.8-16.8 QB ALA 16 - HD2 LYS 24 far 0 90 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 94 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 97 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 84 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 90 0 - 9.1-12.8 QB ALA 34 - HD2 LYS 19 far 0 44 0 - 9.1-23.8 QB ALA 12 - HD3 LYS 36 far 0 57 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 93 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 99 0 - 9.2-24.7 QB ALA 34 - HD3 LYS 24 far 0 53 0 - 9.2-15.8 HG2 LYS 24 - HD3 LYS 26 far 0 94 0 - 9.3-12.6 HG2 LYS 86 - HD2 LYS 19 far 0 46 0 - 9.3-37.4 HG3 LYS 31 - HD2 LYS 24 far 0 92 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 98 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 77 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 99 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 89 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 95 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 86 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 91 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 100 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 94 0 - 9.9-17.6 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): 20 out of 66 assignments used, quality = 1.00: * HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.2-2.9 3.0=100 HE3 LYS 31 + HD2 LYS 31 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 2.3-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 97 97 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 97 97 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.5-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 90 90 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 90 90 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 84 84 100 100 2.3-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD3 LYS 31 far 10 100 10 - 5.7-26.7 HE3 LYS 19 - HD2 LYS 31 far 5 100 5 - 5.6-26.9 HE2 LYS 19 - HD2 LYS 31 far 5 100 5 - 6.1-25.3 HE3 LYS 26 - HD2 LYS 31 far 5 100 5 - 6.6-14.7 HE2 LYS 19 - HD3 LYS 31 far 5 100 5 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 5 100 5 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 5 96 5 - 6.5-13.3 HE2 LYS 26 - HD2 LYS 36 far 5 90 5 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 97 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 79 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 90 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 82 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 81 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 89 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 100 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 99 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 92 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 98 0 - 7.7-13.6 HB3 ASN 121 - HD3 LYS 95 far 0 84 0 - 7.9-10.8 HE2 LYS 31 - HD3 LYS 36 far 0 92 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 84 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 90 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 80 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 76 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 90 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 83 0 - 8.6-36.9 HB3 ASN 121 - HD2 LYS 95 far 0 85 0 - 8.7-10.6 HE3 LYS 24 - HD3 LYS 19 far 0 74 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 91 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 62 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 95 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 99 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 91 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 97 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 82 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 95 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 97 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 81 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 84 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 79 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 852 from aliabs.peaks (2.95, 1.65, 28.90 ppm; 6.06 A): 20 out of 66 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 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.3-3.0 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 2.2-2.9 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 2.2-3.0 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 2.3-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 89 89 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 89 89 100 100 2.5-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 88 88 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 88 88 100 100 2.4-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD3 LYS 31 far 10 100 10 - 5.7-26.7 HE3 LYS 19 - HD2 LYS 31 far 5 100 5 - 5.6-26.9 HE2 LYS 19 - HD2 LYS 31 far 5 100 5 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 5 100 5 - 6.4-25.6 HE3 LYS 26 - HD2 LYS 31 far 5 98 5 - 6.6-14.7 HE3 LYS 26 - HD3 LYS 31 far 5 97 5 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 5 97 5 - 6.5-13.3 HE2 LYS 26 - HD2 LYS 36 far 4 89 5 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 96 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 81 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 89 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 84 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 79 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 90 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 98 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 98 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 90 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 99 0 - 7.7-13.6 HB3 ASN 121 - HD3 LYS 95 far 0 70 0 - 7.9-10.8 HE2 LYS 31 - HD3 LYS 36 far 0 90 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 82 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 99 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 86 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 81 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 99 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 82 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 98 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 92 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 84 0 - 8.6-36.9 HB3 ASN 121 - HD2 LYS 95 far 0 72 0 - 8.7-10.6 HE3 LYS 24 - HD3 LYS 19 far 0 79 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 98 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 88 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 75 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 91 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 98 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 88 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 95 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 84 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 95 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 95 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 77 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 80 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 81 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 855 from aliabs.peaks (4.27, 1.66, 28.90 ppm; 6.80 A): 22 out of 91 assignments used, quality = 1.00: * HA LYS 31 + HD3 LYS 31 OK 100 100 100 100 1.9-4.8 5.2=100 HA LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.0-5.1 5.0=100 HA LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.0-4.7 5.2=100 HA LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.0-5.3 5.0=100 HA LYS 36 + HD3 LYS 36 OK 85 85 100 100 4.9-5.2 5.3=100 HA LYS 36 + HD2 LYS 36 OK 84 84 100 100 4.6-4.6 5.3=100 HA THR 25 + HD2 LYS 26 OK 82 83 100 99 4.9-6.7 11150/2.9=75, 582/5.7=68...(10) HA THR 25 + HD3 LYS 26 OK 80 81 100 99 5.2-6.8 11150/2.9=75, 582/5.7=68...(10) HA LYS 19 + HD2 LYS 19 OK 79 79 100 100 3.5-4.4 5.2=100 HA ARG 23 + HD3 LYS 24 OK 78 90 90 97 4.0-7.6 424/5.9=84, ~832=28...(17) HA LEU 22 + HD2 LYS 24 OK 77 94 95 86 3.2-9.0 ~1309=29, 11967/3.0=28...(11) HA LYS 19 + HD3 LYS 19 OK 75 75 100 100 3.8-5.0 5.2=100 HA LEU 22 + HD3 LYS 24 OK 75 92 95 86 3.7-8.5 ~1309=29, 11967/3.0=28...(11) HA THR 18 + HD2 LYS 19 OK 73 73 100 100 5.0-5.5 3.2/10696=88...(15) HA THR 25 + HD3 LYS 24 OK 72 72 100 100 5.8-7.0 ~6234=78, ~522=70...(10) HA GLN 27 + HD2 LYS 26 OK 72 76 95 100 3.5-7.5 3.0/6266=47, ~6264=46...(21) HA ARG 23 + HD2 LYS 24 OK 71 92 80 97 5.0-7.8 424/5.9=84, ~832=28...(20) HA GLN 27 + HD3 LYS 26 OK 70 74 95 99 3.1-7.9 3.0/6267=47, ~6264=46...(21) HA THR 18 + HD3 LYS 19 OK 69 69 100 100 5.6-7.0 ~10696=86, ~10692=83...(15) HA ALA 28 + HD2 LYS 26 OK 43 68 85 74 4.2-7.8 3.0/10771=40, ~10771=32...(11) HA ALA 28 + HD3 LYS 26 OK 38 66 80 72 3.9-9.2 3.0/10771=34, ~10771=34...(10) HA THR 25 + HD2 LYS 24 OK 37 74 50 100 6.5-8.0 ~6234=78, ~522=70...(10) HA ALA 15 - HD2 LYS 19 poor 15 75 20 - 5.7-11.6 HA LYS 31 - HD3 LYS 26 poor 10 99 25 41 4.0-10.4 6342/6348=17...(9) HA LYS 31 - HD2 LYS 26 poor 10 100 25 40 5.1-10.1 6342/6348=18...(7) HA ARG 23 - HD3 LYS 26 far 10 97 10 - 6.4-12.1 HA LYS 19 - HD2 LYS 24 far 9 95 10 - 6.5-12.9 HA LYS 36 - HD2 LYS 26 far 9 93 10 - 5.9-11.4 HA LYS 19 - HD3 LYS 24 far 9 93 10 - 6.6-13.2 HA ALA 16 - HD2 LYS 19 lone 8 78 85 12 4.1-8.2 7131/6.2=3, 3.6/292=2 HA ALA 16 - HD3 LYS 19 lone 6 73 65 12 4.7-9.2 7131/6.2=3, 3.6/292=2 HA LYS 19 - HD3 LYS 31 far 5 100 5 - 4.2-24.3 HA LYS 19 - HD2 LYS 31 far 5 100 5 - 5.1-24.1 HA LYS 26 - HD2 LYS 31 far 5 100 5 - 6.5-14.6 HA ALA 16 - HD3 LYS 31 far 5 99 5 - 7.0-28.5 HA ARG 23 - HD3 LYS 31 far 5 99 5 - 5.4-17.9 HA ALA 16 - HD2 LYS 31 far 5 99 5 - 7.3-28.5 HA ARG 23 - HD2 LYS 31 far 5 98 5 - 5.5-19.1 HA THR 18 - HD3 LYS 31 far 5 97 5 - 7.1-26.4 HA LYS 26 - HD3 LYS 24 far 5 93 5 - 6.8-10.5 HA LYS 36 - HD3 LYS 26 far 5 92 5 - 6.0-12.7 HA ALA 12 - HD3 LYS 95 far 5 90 5 - 7.1-39.3 HA ALA 12 - HD2 LYS 95 far 4 89 5 - 6.9-40.4 HA ALA 21 - HD3 LYS 31 far 4 71 5 - 6.6-23.8 HA ALA 12 - HD3 LYS 19 far 3 64 5 - 6.5-20.5 HA SER 74 - HD2 LYS 19 far 3 63 5 - 6.2-35.4 HA SER 74 - HD3 LYS 19 far 3 59 5 - 4.6-35.1 HA ALA 21 - HD2 LYS 24 lone 1 62 40 4 5.2-10.9 HA ALA 21 - HD3 LYS 24 lone 1 61 35 4 5.0-11.3 HA ALA 15 - HD3 LYS 19 lone 1 71 30 3 6.2-11.9 HA LYS 31 - HD2 LYS 36 far 0 94 0 - 7.5-8.1 HA ALA 12 - HD2 LYS 19 far 0 68 0 - 7.6-20.3 HA SER 74 - HD3 LYS 24 far 0 76 0 - 7.6-23.3 HA ALA 21 - HD3 LYS 19 far 0 46 0 - 7.7-9.8 HA ALA 12 - HD2 LYS 31 far 0 91 0 - 7.7-38.2 HA LEU 22 - HD3 LYS 31 far 0 100 0 - 7.8-22.1 HA LYS 26 - HD3 LYS 31 far 0 100 0 - 7.8-13.5 HA LYS 26 - HD2 LYS 24 far 0 94 0 - 7.8-10.9 HA ALA 21 - HD2 LYS 19 far 0 49 0 - 7.8-8.6 HA ARG 23 - HD2 LYS 26 far 0 99 0 - 7.9-11.1 HA ALA 21 - HD2 LYS 31 far 0 70 0 - 8.2-24.8 HA LYS 31 - HD3 LYS 19 far 0 75 0 - 8.3-27.0 HA LEU 22 - HD2 LYS 26 far 0 100 0 - 8.4-15.7 HA SER 74 - HD2 LYS 24 far 0 78 0 - 8.4-24.9 HA ARG 23 - HD3 LYS 19 far 0 72 0 - 8.4-12.6 HA ALA 12 - HD3 LYS 31 far 0 92 0 - 8.4-38.1 HA LEU 22 - HD3 LYS 26 far 0 99 0 - 8.5-15.5 HA LEU 22 - HD2 LYS 19 far 0 78 0 - 8.6-11.0 HA LEU 22 - HD2 LYS 31 far 0 99 0 - 8.6-22.9 HA ARG 23 - HD2 LYS 19 far 0 76 0 - 8.7-12.2 HA THR 18 - HD2 LYS 24 far 0 89 0 - 8.7-12.7 HA THR 18 - HD2 LYS 31 far 0 96 0 - 8.7-26.2 HA THR 25 - HD3 LYS 31 far 0 83 0 - 8.7-17.7 HA SER 124 - HD3 LYS 95 far 0 64 0 - 8.8-12.3 HA SER 124 - HD2 LYS 95 far 0 62 0 - 8.8-12.6 HA LYS 31 - HD2 LYS 19 far 0 79 0 - 8.9-27.5 HA LYS 31 - HD3 LYS 36 far 0 95 0 - 9.1-9.5 HA THR 18 - HD3 LYS 24 far 0 87 0 - 9.1-13.3 HA THR 25 - HD2 LYS 31 far 0 82 0 - 9.2-17.6 HA ALA 15 - HD3 LYS 31 far 0 98 0 - 9.4-29.3 HA GLN 27 - HD3 LYS 31 far 0 76 0 - 9.4-13.4 HA GLN 27 - HD2 LYS 31 far 0 75 0 - 9.5-14.5 HA LEU 22 - HD3 LYS 19 far 0 74 0 - 9.5-12.1 HA ARG 23 - HD2 LYS 36 far 0 91 0 - 9.5-19.6 HA GLN 27 - HD3 LYS 24 far 0 65 0 - 9.6-12.5 HA THR 25 - HD2 LYS 19 far 0 59 0 - 9.6-17.8 HA LYS 19 - HD3 LYS 26 far 0 99 0 - 9.7-20.2 HA PHE 87 - HD3 LYS 95 far 0 100 0 - 9.7-12.5 HA PHE 87 - HD3 LYS 19 far 0 75 0 - 9.9-41.0 HA PHE 87 - HD2 LYS 19 far 0 79 0 - 10.0-40.9 HA LYS 26 - HD3 LYS 19 far 0 75 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 856 from aliabs.peaks (1.74, 1.66, 28.90 ppm; 4.74 A): 8 out of 48 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 2.1-4.0 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.3-3.9 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.6-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 93 93 100 100 2.6-3.7 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 79 79 100 100 2.2-3.2 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.0-3.5 3.9=100 HB2 LYS 31 - HD2 LYS 26 poor 20 100 20 - 3.7-10.0 HB2 LYS 31 - HD3 LYS 26 poor 20 99 20 - 2.1-9.6 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.6-25.0 HB2 LYS 19 - HD2 LYS 31 far 5 100 5 - 5.2-25.0 HB2 ARG 23 - HD3 LYS 31 far 5 98 5 - 4.8-19.6 HB2 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.4-13.3 HG3 ARG 90 - HD3 LYS 19 far 0 73 0 - 5.6-37.6 HB2 ARG 23 - HD3 LYS 24 far 0 89 0 - 5.6-9.0 HB2 ARG 23 - HD2 LYS 31 far 0 97 0 - 5.7-20.8 HB2 ARG 23 - HD2 LYS 24 far 0 91 0 - 6.0-9.1 HB2 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.1-13.8 HG3 ARG 90 - HD2 LYS 19 far 0 78 0 - 6.5-37.7 HG13 ILE 129 - HD3 LYS 95 far 0 100 0 - 7.1-11.4 HB2 ARG 23 - HD3 LYS 19 far 0 71 0 - 7.3-12.6 HB2 LYS 24 - HD2 LYS 19 far 0 79 0 - 7.3-16.3 HG13 ILE 129 - HD2 LYS 95 far 0 99 0 - 7.3-11.5 HB2 ARG 23 - HD2 LYS 19 far 0 75 0 - 7.5-11.9 HB2 ARG 23 - HD3 LYS 26 far 0 97 0 - 7.5-14.0 HB ILE 80 - HD3 LYS 19 far 0 72 0 - 7.8-37.4 HB2 ARG 23 - HD2 LYS 26 far 0 98 0 - 7.8-13.1 HB2 LYS 19 - HD3 LYS 24 far 0 93 0 - 7.9-15.5 HB2 LYS 24 - HD3 LYS 26 far 0 99 0 - 7.9-11.0 HB2 LYS 31 - HD3 LYS 19 far 0 75 0 - 8.2-24.6 HB2 LYS 19 - HD2 LYS 24 far 0 95 0 - 8.2-15.2 HB2 LYS 24 - HD3 LYS 19 far 0 75 0 - 8.2-16.3 HB2 LYS 31 - HD2 LYS 36 far 0 94 0 - 8.4-9.8 HB2 LYS 26 - HD3 LYS 24 far 0 93 0 - 8.4-11.9 HG3 ARG 90 - HD3 LYS 95 far 0 99 0 - 8.5-12.5 HB2 LYS 24 - HD2 LYS 26 far 0 100 0 - 8.6-11.1 HB2 LYS 31 - HD2 LYS 24 far 0 95 0 - 8.8-21.3 HG3 ARG 90 - HD2 LYS 95 far 0 97 0 - 9.2-11.8 HB ILE 80 - HD2 LYS 19 far 0 76 0 - 9.2-37.4 HB2 LYS 31 - HD2 LYS 19 far 0 79 0 - 9.2-25.0 HB2 LYS 31 - HD3 LYS 24 far 0 93 0 - 9.4-20.4 HB2 ARG 23 - HD2 LYS 36 far 0 90 0 - 9.5-21.1 HB2 LYS 26 - HD2 LYS 24 far 0 94 0 - 9.6-12.5 HB2 LYS 31 - HD3 LYS 36 far 0 95 0 - 9.7-11.4 HG3 ARG 90 - HD3 LYS 24 far 0 91 0 - 9.8-25.6 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 9.9-20.2 HB2 LYS 24 - HD2 LYS 31 far 0 100 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 857 from aliabs.peaks (1.81, 1.66, 28.90 ppm; 5.73 A): 14 out of 64 assignments used, quality = 1.00: * HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.1-4.1 3.5=100 HB ILE 32 + HD2 LYS 26 OK 100 100 100 100 4.2-5.1 ~10767=66, 3.0/10763=57...(58) HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.0-3.2 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.0-3.8 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.0-3.3 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.5-4.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 94 94 100 100 3.0-4.0 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 93 93 100 100 2.1-3.7 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 93 93 100 100 2.0-3.2 3.5=100 HB ILE 32 + HD3 LYS 26 OK 80 99 80 100 3.4-6.5 10833/1.8=65, ~10766=56...(63) HB3 LYS 19 + HD2 LYS 19 OK 78 78 100 100 3.5-4.1 3.9=100 HB3 LYS 19 + HD3 LYS 19 OK 74 74 100 100 3.3-4.2 3.9=100 HB ILE 32 + HD2 LYS 36 OK 43 94 60 76 5.9-6.8 6361/10855=45...(7) HB3 ARG 23 + HD3 LYS 24 OK 21 91 40 56 4.2-8.9 ~833=8, 3.0/3938=8...(21) HB3 LYS 31 - HD2 LYS 26 poor 20 100 20 - 4.7-11.2 HB3 LYS 31 - HD3 LYS 26 far 15 99 15 - 3.5-10.7 HB3 ARG 23 - HD2 LYS 24 far 14 93 15 - 5.3-8.9 HB VAL 93 - HD3 LYS 95 far 9 89 10 - 5.6-8.6 HB3 LYS 19 - HD3 LYS 31 far 5 100 5 - 3.0-23.2 HB3 LYS 19 - HD2 LYS 31 far 5 99 5 - 3.4-23.3 HB3 LYS 26 - HD2 LYS 31 far 5 100 5 - 5.9-12.3 HB2 LYS 36 - HD3 LYS 26 far 5 99 5 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 26 far 5 98 5 - 6.3-14.3 HB3 LEU 98 - HD2 LYS 95 far 3 57 5 - 6.3-9.1 HB2 LYS 36 - HD2 LYS 26 far 0 100 0 - 6.3-11.2 HB3 LYS 19 - HD3 LYS 24 far 0 92 0 - 6.4-14.8 HB VAL 93 - HD2 LYS 95 far 0 87 0 - 6.4-8.7 HB ILE 32 - HD3 LYS 31 far 0 100 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 99 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 99 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 100 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 94 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.8-12.2 HB3 LEU 98 - HD3 LYS 95 far 0 59 0 - 7.0-9.0 HB3 ARG 23 - HD2 LYS 31 far 0 99 0 - 7.3-22.1 HB ILE 32 - HD3 LYS 36 far 0 95 0 - 7.6-8.5 HB3 LYS 31 - HD3 LYS 19 far 0 75 0 - 8.1-26.2 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.1-12.5 HB2 CYS 79 - HD3 LYS 19 far 0 59 0 - 8.3-33.8 HB2 LYS 36 - HD2 LYS 31 far 0 99 0 - 8.3-12.3 HB2 LYS 86 - HD3 LYS 19 far 0 59 0 - 8.4-38.5 HB3 LYS 31 - HD2 LYS 19 far 0 79 0 - 8.4-26.6 HB VAL 93 - HD3 LYS 19 far 0 62 0 - 8.4-40.5 HB3 ARG 23 - HD3 LYS 19 far 0 73 0 - 8.5-12.9 HB2 CYS 79 - HD2 LYS 24 far 0 78 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 87 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 99 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 19 far 0 79 0 - 8.8-16.9 HB3 LYS 24 - HD2 LYS 26 far 0 100 0 - 8.8-11.0 HB3 ARG 23 - HD2 LYS 19 far 0 78 0 - 8.9-12.7 HB VAL 93 - HD2 LYS 19 far 0 66 0 - 9.3-40.8 HB3 LYS 31 - HD2 LYS 36 far 0 94 0 - 9.3-10.5 HB2 LYS 86 - HD2 LYS 19 far 0 63 0 - 9.3-38.4 HB3 LYS 26 - HD3 LYS 24 far 0 93 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 99 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 100 0 - 9.5-19.2 HB3 LYS 26 - HD2 LYS 36 far 0 94 0 - 9.7-12.7 HB2 CYS 79 - HD3 LYS 36 far 0 78 0 - 9.8-11.3 HB2 CYS 79 - HD2 LYS 36 far 0 77 0 - 9.8-11.7 HB3 LYS 24 - HD3 LYS 19 far 0 75 0 - 9.8-17.0 HB3 ARG 23 - HD2 LYS 36 far 0 92 0 - 9.9-20.6 HB2 CYS 79 - HD3 LYS 24 far 0 76 0 - 9.9-24.7 HB2 CYS 79 - HD2 LYS 19 far 0 63 0 - 9.9-33.8 HB3 LYS 31 - HD2 LYS 24 far 0 95 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 858 from aliabs.peaks (1.46, 1.66, 28.90 ppm; 5.63 A): 14 out of 45 assignments used, quality = 1.00: * HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.7-2.9 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.8-3.0 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 2.3-3.0 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 2.2-3.0 2.9=100 QB ALA 92 + HD3 LYS 95 OK 64 64 100 100 4.5-5.9 2.1/9941=51, 9948/3.7=43...(21) HG13 ILE 32 + HD2 LYS 26 OK 63 63 100 100 2.3-5.4 ~10767=77, 4.1/10763=48...(69) HG13 ILE 32 + HD3 LYS 26 OK 61 61 100 100 3.4-5.5 ~10766=44, ~10840=44...(67) HG3 LYS 19 + HD2 LYS 19 OK 61 61 100 100 2.9-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 57 57 100 100 2.3-2.8 3.0=100 QB ALA 92 + HD2 LYS 95 OK 56 62 90 100 3.1-6.5 ~9941=54, 9948/3.7=43...(21) HG2 LYS 31 - HD2 LYS 26 far 15 100 15 - 5.7-12.1 HG2 LYS 31 - HD3 LYS 26 far 15 99 15 - 4.0-11.7 HG3 LYS 19 - HD2 LYS 31 far 8 84 10 - 4.2-23.7 HG2 LYS 26 - HD3 LYS 31 far 7 68 10 - 5.1-14.0 HG3 LYS 19 - HD3 LYS 31 far 4 85 5 - 3.5-23.9 HG2 LYS 26 - HD2 LYS 31 far 3 67 5 - 5.2-13.9 HG13 ILE 32 - HD3 LYS 31 far 3 63 5 - 6.2-9.0 HG13 ILE 32 - HD2 LYS 31 far 3 62 5 - 6.0-8.4 HG3 LYS 86 - HD3 LYS 19 far 0 57 0 - 6.8-37.6 HG3 LYS 19 - HD3 LYS 24 far 0 74 0 - 7.6-15.9 HG3 LYS 86 - HD2 LYS 19 far 0 61 0 - 8.0-37.5 HG3 LYS 24 - HD2 LYS 19 far 0 75 0 - 8.0-16.0 HG2 LYS 31 - HD2 LYS 36 far 0 94 0 - 8.0-10.5 HG13 ILE 32 - HD2 LYS 36 far 0 54 0 - 8.1-8.6 HG3 LYS 36 - HD3 LYS 26 far 0 99 0 - 8.3-14.1 HG2 LYS 26 - HD3 LYS 24 far 0 58 0 - 8.3-12.6 HG3 LYS 19 - HD2 LYS 24 far 0 76 0 - 8.4-15.6 HG2 LYS 31 - HD3 LYS 19 far 0 75 0 - 8.5-25.2 HG2 LYS 31 - HD2 LYS 19 far 0 79 0 - 8.5-25.7 HG3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.6-12.6 HG3 LYS 19 - HD3 LYS 26 far 0 83 0 - 9.0-20.4 HG2 LYS 31 - HD3 LYS 36 far 0 95 0 - 9.2-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 59 0 - 9.2-12.8 HG3 LYS 24 - HD3 LYS 19 far 0 71 0 - 9.2-16.2 HG3 LYS 36 - HD3 LYS 31 far 0 100 0 - 9.4-14.3 HG2 LYS 26 - HD2 LYS 24 far 0 60 0 - 9.4-13.2 HG3 LYS 19 - HD2 LYS 26 far 0 85 0 - 9.5-19.8 HG3 LYS 36 - HD2 LYS 31 far 0 100 0 - 9.5-14.0 HG3 LYS 24 - HD3 LYS 31 far 0 98 0 - 9.8-22.2 HG13 ILE 32 - HD3 LYS 36 far 0 55 0 - 9.8-10.3 HG2 LYS 31 - HD2 LYS 24 far 0 95 0 - 10.0-23.6 Violated in 0 structures by 0.00 A. Peak 859 from aliabs.peaks (1.39, 1.66, 28.90 ppm; 4.98 A): 15 out of 92 assignments used, quality = 1.00: * HG3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 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 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.5-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.6-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 98 98 100 100 2.3-3.0 2.9=100 HG2 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 93 93 100 100 2.7-2.9 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 2.4-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 68 68 100 100 2.2-2.7 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 64 64 100 100 2.3-3.0 3.0=100 QB ALA 29 + HD2 LYS 26 OK 28 99 45 62 2.5-6.4 10790/10833=27...(14) QB ALA 28 - HD3 LYS 26 poor 20 99 20 - 4.7-8.5 QB ALA 29 - HD3 LYS 26 poor 16 98 30 53 2.3-7.8 10739/10829=17...(14) QB ALA 28 - HD2 LYS 26 poor 14 100 25 54 4.9-7.9 6304/10771=22, ~10771=17...(9) HG3 LYS 31 - HD3 LYS 26 far 10 99 10 - 4.1-12.0 QB ALA 34 - HD3 LYS 26 poor 9 58 40 39 4.4-7.4 10885/10800=37, 3.6/659=2 HG3 LYS 31 - HD2 LYS 26 far 5 100 5 - 5.4-12.2 QB ALA 16 - HD3 LYS 31 far 5 99 5 - 4.2-24.3 QB ALA 16 - HD2 LYS 31 far 5 99 5 - 4.6-24.2 HG2 LYS 19 - HD3 LYS 31 far 5 92 5 - 3.6-23.8 HG2 LYS 19 - HD2 LYS 31 far 5 91 5 - 4.9-23.9 QB ALA 15 - HD2 LYS 19 far 4 79 5 - 3.8-10.9 QB ALA 15 - HD3 LYS 19 far 4 74 5 - 3.7-10.4 QB ALA 12 - HD3 LYS 31 far 3 68 5 - 5.2-32.1 QB ALA 16 - HD2 LYS 19 lone 3 78 55 8 3.5-7.5 7141/6.2=1 QB ALA 12 - HD2 LYS 31 far 3 67 5 - 4.5-32.1 QB ALA 12 - HD3 LYS 95 far 3 67 5 - 5.5-31.9 QB ALA 16 - HD3 LYS 19 lone 3 73 55 7 4.2-7.8 7141/6.2=1 QB ALA 34 - HD2 LYS 26 lone 1 60 45 4 4.2-7.0 3.6/648=3 QB ALA 12 - HD2 LYS 95 far 0 65 0 - 5.6-32.8 QB ALA 34 - HD2 LYS 36 far 0 52 0 - 5.8-6.1 QB ALA 29 - HD2 LYS 36 far 0 92 0 - 6.1-9.0 QB ALA 34 - HD3 LYS 36 far 0 52 0 - 6.3-6.6 HG3 LYS 31 - HD2 LYS 36 far 0 94 0 - 6.6-10.5 HB2 LEU 96 - HD2 LYS 95 far 0 98 0 - 6.7-9.2 HG3 LYS 26 - HD3 LYS 31 far 0 100 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 99 0 - 6.9-14.3 HB2 LEU 96 - HD3 LYS 95 far 0 99 0 - 7.1-8.9 QB ALA 12 - HD3 LYS 19 far 0 44 0 - 7.4-17.7 HG LEU 96 - HD3 LYS 95 far 0 94 0 - 7.4-9.8 QB ALA 29 - HD3 LYS 36 far 0 92 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 98 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 99 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 79 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 81 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 75 0 - 7.7-26.9 QB ALA 15 - HD3 LYS 95 far 0 99 0 - 7.8-38.1 QB ALA 34 - HD3 LYS 19 far 0 38 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 60 0 - 7.9-10.9 QB ALA 28 - HD3 LYS 31 far 0 100 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 93 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 95 0 - 7.9-11.7 HG2 LYS 86 - HD3 LYS 19 far 0 40 0 - 8.0-37.5 HG LEU 96 - HD2 LYS 95 far 0 93 0 - 8.0-10.0 QB ALA 15 - HD2 LYS 95 far 0 98 0 - 8.0-39.2 QB ALA 34 - HD2 LYS 31 far 0 59 0 - 8.0-10.8 QB ALA 28 - HD2 LYS 24 far 0 95 0 - 8.1-15.1 QB ALA 28 - HD2 LYS 31 far 0 100 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 47 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 83 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 75 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 99 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 59 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 99 0 - 8.6-22.7 QB ALA 34 - HD2 LYS 24 far 0 52 0 - 8.8-16.8 QB ALA 16 - HD2 LYS 24 far 0 93 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 92 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 98 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 88 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 93 0 - 9.1-12.8 QB ALA 34 - HD2 LYS 19 far 0 41 0 - 9.1-23.8 QB ALA 12 - HD3 LYS 36 far 0 60 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 91 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 100 0 - 9.2-24.7 QB ALA 34 - HD3 LYS 24 far 0 51 0 - 9.2-15.8 HG2 LYS 24 - HD3 LYS 26 far 0 97 0 - 9.3-12.6 HG2 LYS 86 - HD2 LYS 19 far 0 43 0 - 9.3-37.4 HG3 LYS 31 - HD2 LYS 24 far 0 95 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 97 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 71 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 100 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 92 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 93 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 90 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 94 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 99 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 91 0 - 9.9-17.6 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): 20 out of 66 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 2.2-2.9 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 2.3-3.0 3.0=100 HE2 LYS 26 + HD3 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 2.3-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.5-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 86 86 100 100 2.3-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 79 79 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 79 79 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD3 LYS 31 far 10 100 10 - 5.7-26.7 HE2 LYS 19 - HD3 LYS 31 far 5 100 5 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 5 100 5 - 6.4-15.3 HE3 LYS 19 - HD2 LYS 31 far 5 100 5 - 5.6-26.9 HE2 LYS 19 - HD2 LYS 31 far 5 100 5 - 6.1-25.3 HE3 LYS 26 - HD2 LYS 31 far 5 100 5 - 6.6-14.7 HE3 LYS 31 - HD3 LYS 26 far 5 98 5 - 6.5-13.3 HE2 LYS 26 - HD2 LYS 36 far 5 94 5 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 99 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 73 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 94 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 78 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 75 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 92 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 100 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 100 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 95 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 99 0 - 7.7-13.6 HB3 ASN 121 - HD3 LYS 95 far 0 85 0 - 7.9-10.8 HE2 LYS 31 - HD3 LYS 36 far 0 95 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 79 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 94 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 74 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 100 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 72 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 93 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 79 0 - 8.6-36.9 HB3 ASN 121 - HD2 LYS 95 far 0 84 0 - 8.7-10.6 HE3 LYS 24 - HD3 LYS 19 far 0 68 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 100 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 94 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 65 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 93 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 100 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 94 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 78 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 93 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 99 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 75 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 79 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 73 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 863 from aliabs.peaks (2.95, 1.66, 28.90 ppm; 6.06 A): 20 out of 66 assignments used, quality = 1.00: * HE3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 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 2.2-2.9 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 98 98 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 93 93 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.5-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.4-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.3-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 79 79 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 79 79 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD3 LYS 31 far 10 100 10 - 5.7-26.7 HE2 LYS 19 - HD3 LYS 31 far 5 100 5 - 6.4-25.6 HE3 LYS 19 - HD2 LYS 31 far 5 100 5 - 5.6-26.9 HE2 LYS 19 - HD2 LYS 31 far 5 100 5 - 6.1-25.3 HE3 LYS 31 - HD3 LYS 26 far 5 99 5 - 6.5-13.3 HE3 LYS 26 - HD3 LYS 31 far 5 98 5 - 6.4-15.3 HE3 LYS 26 - HD2 LYS 31 far 5 97 5 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 5 92 5 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 98 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 75 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 92 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 79 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 73 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 98 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 94 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 98 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 99 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 99 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 93 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 100 0 - 7.7-13.6 HB3 ASN 121 - HD3 LYS 95 far 0 72 0 - 7.9-10.8 HE2 LYS 31 - HD3 LYS 36 far 0 93 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 78 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 99 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 90 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 75 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 99 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 78 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 95 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 79 0 - 8.6-36.9 HB3 ASN 121 - HD2 LYS 95 far 0 70 0 - 8.7-10.6 HE3 LYS 24 - HD3 LYS 19 far 0 73 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 91 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 78 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 89 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 99 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 91 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 98 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 79 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 93 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 98 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 71 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 75 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 75 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 866 from aliabs.peaks (4.27, 2.96, 41.80 ppm; 5.96 A): 17 out of 98 assignments used, quality = 1.00: * HA LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-5.2 6.5=78, 822/3.7=39...(27) HA LYS 19 + HE2 LYS 19 OK 100 100 100 100 5.1-6.2 6.4=81, 271/3.8=34...(35) HA LYS 19 + HE3 LYS 19 OK 99 100 100 100 4.9-6.3 6.4=81, 271/3.8=34...(35) HA LYS 26 + HE2 LYS 26 OK 99 100 100 99 3.7-6.4 6.6=74, 597/3.6=33...(23) HA LYS 26 + HE3 LYS 26 OK 99 100 100 99 3.0-6.3 6.6=74, 597/3.6=33...(22) HA LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-5.9 6.5=78, 822/3.7=39...(27) HA LYS 36 + HE3 LYS 36 OK 93 93 100 100 5.0-6.5 6.0=100 HA LYS 36 + HE2 LYS 36 OK 93 93 100 100 5.2-6.5 6.0=100 HA THR 25 + HE3 LYS 26 OK 79 82 100 96 3.5-5.7 11150/3.6=69, 9587=62...(7) HA THR 25 + HE2 LYS 26 OK 76 83 95 96 4.4-6.6 11150/3.6=69...(7) HA PHE 87 + HE3 LYS 86 OK 47 71 70 95 4.1-7.3 4.9/11332=49...(10) HA LEU 22 + HE3 LYS 24 OK 43 86 90 56 3.2-7.5 11967/4.0=19...(8) HA LEU 22 + HE2 LYS 24 OK 39 97 75 53 2.6-9.0 11967/4.0=19...(8) HA THR 18 + HE3 LYS 19 OK 32 96 35 94 5.2-8.0 ~10696=60, ~10692=56...(7) HA THR 18 + HE2 LYS 19 OK 27 96 30 94 5.5-8.1 ~10696=60, ~10692=56...(7) HA GLN 27 + HE2 LYS 26 OK 22 76 45 64 2.1-8.9 ~6266=26, ~6267=26...(10) HA GLN 27 + HE3 LYS 26 OK 22 75 45 64 2.9-8.6 ~6266=26, ~6267=26...(10) HA ALA 15 - HE2 LYS 19 poor 19 97 20 - 3.3-12.8 HA ARG 23 - HE2 LYS 24 poor 19 96 20 - 5.3-8.2 HA ALA 28 - HE3 LYS 26 poor 17 67 25 - 5.1-9.5 HA ARG 23 - HE3 LYS 24 poor 17 83 20 - 4.4-8.2 HA ALA 21 - HE2 LYS 24 poor 17 67 25 - 4.2-11.2 HA ARG 23 - HE3 LYS 26 far 15 98 15 - 5.5-9.8 HA ALA 21 - HE3 LYS 24 poor 14 55 25 - 3.4-10.6 HA ALA 28 - HE2 LYS 26 poor 10 68 30 49 4.7-9.5 ~10771=22, 10776/9008=9...(9) HA THR 25 - HE2 LYS 24 far 8 78 10 - 6.4-9.3 HA LYS 31 - HE2 LYS 26 far 5 100 5 - 6.4-11.5 HA LEU 22 - HE3 LYS 26 far 5 99 5 - 6.5-14.0 HA ARG 23 - HE2 LYS 31 far 5 99 5 - 5.0-20.1 HA ARG 23 - HE2 LYS 26 far 5 99 5 - 6.5-11.3 HA LYS 19 - HE2 LYS 24 far 5 98 5 - 5.8-13.5 HA LYS 19 - HE3 LYS 31 far 5 98 5 - 6.3-26.2 HA ARG 23 - HE3 LYS 31 far 5 96 5 - 5.8-19.4 HA LYS 36 - HE2 LYS 26 far 5 93 5 - 4.3-11.5 HA LYS 36 - HE3 LYS 26 far 5 92 5 - 5.8-13.1 HA ALA 12 - HE2 LYS 19 far 5 91 5 - 6.0-22.2 HA ALA 12 - HE3 LYS 19 far 5 91 5 - 6.5-22.7 HA ALA 12 - HE3 LYS 31 far 4 88 5 - 6.1-40.4 HA LYS 19 - HE3 LYS 24 far 4 87 5 - 5.0-13.6 HA ALA 16 - HE2 LYS 19 lone 4 99 45 9 2.4-9.8 11966/10705=2, 7131/7.3=2 HA SER 74 - HE3 LYS 19 far 4 86 5 - 5.2-36.6 HA SER 74 - HE2 LYS 19 far 4 86 5 - 5.8-36.2 HA ALA 16 - HE3 LYS 19 lone 4 99 45 9 2.8-10.3 7131/7.3=2, 11966/10705=1 HA ALA 21 - HE3 LYS 86 far 2 43 5 - 6.1-29.7 HA ALA 15 - HE3 LYS 19 lone 1 97 25 2 4.2-13.5 HA ARG 84 - HE3 LYS 86 far 0 45 0 - 6.6-8.1 HA THR 25 - HE3 LYS 24 far 0 66 0 - 6.6-9.1 HA THR 18 - HE3 LYS 24 far 0 80 0 - 6.6-13.8 HA LYS 31 - HE3 LYS 26 far 0 100 0 - 6.8-12.3 HA ALA 16 - HE2 LYS 31 far 0 99 0 - 6.9-30.4 HA LEU 22 - HE2 LYS 26 far 0 100 0 - 6.9-15.6 HA ALA 12 - HE2 LYS 31 far 0 92 0 - 7.0-40.4 HA LYS 19 - HE2 LYS 31 far 0 100 0 - 7.1-26.6 HA ALA 21 - HE3 LYS 31 far 0 67 0 - 7.2-25.5 HA PHE 87 - HE3 LYS 19 far 0 100 0 - 7.2-42.2 HA LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-9.6 HA LYS 26 - HE3 LYS 31 far 0 98 0 - 7.5-15.0 HA SER 74 - HE3 LYS 86 far 0 55 0 - 7.5-9.7 HA THR 18 - HE2 LYS 24 far 0 93 0 - 7.6-15.0 HA LYS 31 - HE2 LYS 36 far 0 100 0 - 7.6-9.8 HA ALA 21 - HE3 LYS 19 far 0 70 0 - 7.6-10.3 HA LEU 22 - HE3 LYS 86 far 0 70 0 - 7.9-26.6 HA THR 18 - HE3 LYS 86 far 0 65 0 - 7.9-33.5 HA ALA 12 - HE3 LYS 86 far 0 60 0 - 8.1-39.4 HA THR 18 - HE3 LYS 26 far 0 96 0 - 8.2-19.3 HA LYS 26 - HE2 LYS 31 far 0 100 0 - 8.2-15.4 HA ALA 21 - HE2 LYS 31 far 0 71 0 - 8.2-26.1 HA THR 18 - HE3 LYS 31 far 0 93 0 - 8.3-28.4 HA ALA 16 - HE3 LYS 31 far 0 97 0 - 8.4-30.7 HA ALA 21 - HE3 LYS 26 far 0 70 0 - 8.4-15.9 HA ALA 15 - HE3 LYS 86 far 0 67 0 - 8.5-39.8 HA PHE 87 - HE2 LYS 19 far 0 100 0 - 8.5-42.1 HA LYS 26 - HE3 LYS 24 far 0 87 0 - 8.6-11.9 HA ALA 21 - HE2 LYS 19 far 0 70 0 - 8.7-10.4 HA LYS 31 - HE3 LYS 19 far 0 100 0 - 8.7-28.4 HA THR 25 - HE2 LYS 19 far 0 82 0 - 8.8-18.5 HA GLN 27 - HE2 LYS 19 far 0 75 0 - 8.8-22.4 HA THR 25 - HE3 LYS 19 far 0 82 0 - 8.8-18.9 HA THR 18 - HE2 LYS 26 far 0 97 0 - 9.0-20.9 HA ALA 21 - HE2 LYS 26 far 0 71 0 - 9.0-17.3 HA ALA 15 - HE2 LYS 31 far 0 98 0 - 9.0-31.5 HA LEU 22 - HE3 LYS 31 far 0 97 0 - 9.0-24.6 HA ARG 23 - HE3 LYS 19 far 0 98 0 - 9.0-13.3 HA LEU 22 - HE2 LYS 31 far 0 100 0 - 9.1-24.1 HA ARG 23 - HE2 LYS 19 far 0 98 0 - 9.2-14.1 HA LYS 26 - HE2 LYS 24 far 0 98 0 - 9.3-11.8 HA LYS 19 - HE3 LYS 86 far 0 71 0 - 9.3-33.7 HA ALA 16 - HE3 LYS 86 far 0 69 0 - 9.5-38.9 HA LEU 22 - HE3 LYS 19 far 0 99 0 - 9.5-13.0 HA LYS 19 - HE3 LYS 26 far 0 100 0 - 9.6-19.2 HA SER 74 - HE3 LYS 24 far 0 70 0 - 9.6-24.1 HA LYS 26 - HE2 LYS 19 far 0 100 0 - 9.6-18.3 HA ARG 84 - HE3 LYS 19 far 0 72 0 - 9.7-44.8 HA THR 18 - HE2 LYS 31 far 0 97 0 - 9.7-28.5 HA LEU 22 - HE2 LYS 19 far 0 99 0 - 9.9-12.7 HA SER 74 - HE3 LYS 26 far 0 86 0 - 9.9-17.7 HA ARG 84 - HE2 LYS 19 far 0 72 0 - 9.9-44.9 HA LYS 31 - HE2 LYS 19 far 0 100 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 867 from aliabs.peaks (1.74, 2.96, 41.80 ppm; 6.80 A): 10 out of 44 assignments used, quality = 1.00: * HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-5.5 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 4.2-5.5 4.8=100 HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.5-4.5 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.9-4.6 5.1=100 HB2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.5-5.0 4.8=100 HB2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 3.0-5.1 4.8=100 HB2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 3.6-5.5 5.1=100 HB2 LYS 24 + HE3 LYS 24 OK 87 87 100 100 2.2-5.4 5.1=100 HB ILE 80 + HE3 LYS 86 OK 68 68 100 100 2.0-5.4 ~11777=90, ~11877=89...(20) HG3 ARG 90 + HE3 LYS 86 OK 58 69 85 99 3.7-8.7 9651/9655=90...(6) HB2 ARG 23 - HE3 LYS 24 poor 17 83 20 - 6.2-9.9 HB2 ARG 23 - HE2 LYS 24 poor 15 95 35 45 5.6-10.2 4.2/2703=9, ~3938=7...(19) HB2 ARG 23 - HE2 LYS 26 far 10 98 10 - 5.5-13.0 HB2 ARG 23 - HE3 LYS 26 far 10 97 10 - 5.2-11.7 HB2 LYS 26 - HE2 LYS 31 far 5 100 5 - 6.8-15.8 HB2 LYS 19 - HE2 LYS 31 far 5 100 5 - 7.3-27.4 HG3 ARG 90 - HE3 LYS 19 far 5 99 5 - 4.1-39.0 HG3 ARG 90 - HE2 LYS 19 far 5 99 5 - 4.9-38.8 HB2 ARG 23 - HE2 LYS 31 far 5 98 5 - 4.8-21.9 HB2 LYS 19 - HE3 LYS 31 far 5 98 5 - 6.4-27.0 HB ILE 80 - HE3 LYS 19 far 5 98 5 - 6.5-38.3 HB2 LYS 26 - HE3 LYS 31 far 5 98 5 - 6.6-15.7 HB2 ARG 23 - HE3 LYS 31 far 5 95 5 - 4.8-21.0 HB2 LYS 19 - HE3 LYS 24 far 4 87 5 - 6.8-15.7 HB2 LYS 31 - HE3 LYS 26 lone 2 100 25 8 4.4-12.1 6331/6337=2, 294/3.0=1 HB2 LYS 31 - HE2 LYS 26 lone 2 100 25 8 4.9-11.4 6331/6338=2, 294/3.0=1 HB2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.4-9.9 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 7.5-17.7 HB2 LYS 19 - HE2 LYS 24 far 0 98 0 - 7.8-15.4 HB2 LYS 24 - HE2 LYS 19 far 0 100 0 - 7.8-17.5 HB2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.9-25.8 HB2 ARG 23 - HE3 LYS 19 far 0 97 0 - 7.9-12.3 HB2 ARG 23 - HE3 LYS 86 far 0 67 0 - 8.0-27.8 HB ILE 80 - HE2 LYS 19 far 0 98 0 - 8.2-38.1 HB2 LYS 19 - HE3 LYS 86 far 0 71 0 - 8.3-35.8 HB2 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-10.9 HB2 LYS 31 - HE2 LYS 24 far 0 98 0 - 8.4-21.1 HB2 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.4-24.2 HB2 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-11.9 HB2 ARG 23 - HE2 LYS 19 far 0 97 0 - 8.5-13.2 HB2 LYS 19 - HE3 LYS 26 far 0 100 0 - 8.5-20.9 HB2 LYS 31 - HE2 LYS 36 far 0 100 0 - 8.8-11.9 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.3-21.9 HB2 LYS 31 - HE3 LYS 24 far 0 87 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 868 from aliabs.peaks (1.81, 2.96, 41.80 ppm; 5.97 A): 13 out of 63 assignments used, quality = 1.00: * HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-5.3 4.8=100 HB ILE 32 + HE2 LYS 26 OK 100 100 100 100 4.9-6.6 2.1/10766=80, 10825=62...(43) HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 3.6-5.0 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.8-4.2 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.5-4.5 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.7-4.6 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 99 99 100 100 3.2-5.4 5.1=100 HB3 LYS 19 + HE2 LYS 19 OK 99 99 100 100 3.3-5.4 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.2-5.0 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.0 5.1=100 HB3 LYS 24 + HE3 LYS 24 OK 87 87 100 100 2.4-4.6 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 55 55 100 100 1.8-3.6 4.9=100 HB ILE 32 + HE3 LYS 26 OK 25 100 25 100 4.6-7.5 ~10766=72, ~10840=72...(55) HB3 ARG 23 - HE3 LYS 24 poor 17 85 20 - 6.1-9.9 HB3 ARG 23 - HE2 LYS 24 far 15 97 15 - 4.7-9.9 HB3 LYS 31 - HE2 LYS 26 far 10 100 10 - 6.3-12.4 HB3 LYS 31 - HE3 LYS 26 far 10 100 10 - 6.0-13.3 HB3 ARG 23 - HE2 LYS 26 far 10 99 10 - 4.6-12.5 HB ILE 32 - HE2 LYS 31 far 5 100 5 - 6.3-10.3 HB2 LYS 36 - HE2 LYS 26 far 5 100 5 - 5.4-11.8 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 5.6-25.7 HB3 ARG 23 - HE2 LYS 31 far 5 99 5 - 6.2-23.1 HB3 ARG 23 - HE3 LYS 26 far 5 99 5 - 3.7-11.8 HB3 LYS 26 - HE3 LYS 31 far 5 98 5 - 6.5-14.0 HB3 LYS 19 - HE3 LYS 31 far 5 97 5 - 4.9-25.2 HB3 ARG 23 - HE3 LYS 31 far 5 97 5 - 6.4-22.1 HB3 LYS 19 - HE3 LYS 24 far 4 86 5 - 5.6-14.9 HB3 LYS 19 - HE2 LYS 24 far 0 97 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 55 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 71 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 100 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 70 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 98 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 86 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 99 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 89 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 99 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 100 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 89 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 86 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 86 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 58 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 87 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 69 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 100 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 100 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 99 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 98 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 86 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 69 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 86 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 70 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 869 from aliabs.peaks (1.46, 2.96, 41.80 ppm; 4.27 A): 12 out of 46 assignments used, quality = 1.00: * HG2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-4.0 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-3.5 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.0-3.5 4.0=100 HG2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.2 3.7=100 HG3 LYS 24 + HE2 LYS 24 OK 95 95 100 100 2.3-4.0 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 84 84 100 100 2.1-3.9 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 84 84 100 100 2.2-3.7 3.8=100 HG3 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.3-3.9 4.0=100 HG2 LYS 26 + HE2 LYS 26 OK 68 68 100 100 2.7-4.1 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 67 67 100 100 2.2-3.8 3.6=100 HG3 LYS 86 + HE3 LYS 86 OK 54 54 100 100 2.4-3.8 3.7=100 HG13 ILE 32 + HE2 LYS 26 OK 22 63 35 99 3.5-6.7 3.2/10766=52, ~10767=37...(38) HG3 LYS 19 - HE3 LYS 31 far 4 81 5 - 4.4-25.7 HG13 ILE 32 - HE3 LYS 26 far 3 62 5 - 4.5-7.4 HG3 LYS 86 - HE3 LYS 19 far 0 84 0 - 5.3-38.4 HG3 LYS 19 - HE2 LYS 31 far 0 85 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 54 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 100 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.5-13.4 HG2 LYS 26 - HE2 LYS 31 far 0 68 0 - 6.6-15.6 HG13 ILE 32 - HE2 LYS 31 far 0 63 0 - 6.7-10.1 HG3 LYS 86 - HE2 LYS 19 far 0 84 0 - 6.8-38.4 HG13 ILE 32 - HE3 LYS 31 far 0 59 0 - 6.9-10.1 HG2 LYS 26 - HE3 LYS 31 far 0 64 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 68 0 - 7.0-15.8 HG3 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.1-13.4 HG3 LYS 19 - HE3 LYS 26 far 0 84 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-12.4 HG3 LYS 19 - HE2 LYS 26 far 0 85 0 - 7.6-21.0 HG2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-26.4 HG2 LYS 31 - HE2 LYS 36 far 0 100 0 - 8.0-11.8 HG2 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 81 0 - 8.4-15.9 HG3 LYS 24 - HE3 LYS 19 far 0 97 0 - 8.6-17.0 HG3 LYS 36 - HE3 LYS 26 far 0 100 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 98 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 63 0 - 9.0-11.0 HG3 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 97 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 63 0 - 9.4-11.1 QB ALA 92 - HE3 LYS 86 far 0 39 0 - 9.6-11.3 HG3 LYS 24 - HE2 LYS 26 far 0 98 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 98 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 67 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 68 0 - 9.8-14.5 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 85 assignments used, quality = 1.00: * HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-4.2 3.7=100 HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.3-3.8 3.6=100 HG2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 3.1-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.1-4.1 4.0=100 HG3 LYS 26 + HE3 LYS 26 OK 99 99 100 100 2.0-3.4 3.6=100 HG3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.0 3.7=100 HG2 LYS 24 + HE2 LYS 24 OK 95 95 100 100 2.1-4.1 4.0=100 HG2 LYS 19 + HE3 LYS 19 OK 91 91 100 100 2.1-4.1 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 91 91 100 100 2.8-3.7 3.8=100 HG2 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.0-4.2 4.0=100 HG2 LYS 86 + HE3 LYS 86 OK 37 37 100 100 2.5-3.7 3.7=100 QB ALA 15 - HE2 LYS 19 poor 20 99 20 - 3.9-11.9 QB ALA 15 - HE3 LYS 19 far 15 99 15 - 4.1-12.5 QB ALA 34 - HE3 LYS 26 poor 12 59 20 - 4.0-7.8 QB ALA 29 - HE2 LYS 26 far 10 99 10 - 3.3-7.6 QB ALA 29 - HE3 LYS 26 far 10 98 10 - 4.1-8.3 QB ALA 16 - HE2 LYS 31 far 5 99 5 - 3.9-25.9 HG2 LYS 19 - HE3 LYS 31 far 4 88 5 - 4.6-26.0 QB ALA 12 - HE2 LYS 31 far 3 68 5 - 4.1-33.9 QB ALA 12 - HE3 LYS 31 far 3 64 5 - 3.6-33.9 QB ALA 16 - HE2 LYS 19 lone 2 99 40 4 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 1 99 35 4 2.7-9.0 QB ALA 34 - HE2 LYS 26 lone 0 60 45 1 3.1-7.1 QB ALA 16 - HE3 LYS 31 far 0 97 0 - 5.2-26.1 QB ALA 15 - HE3 LYS 86 far 0 70 0 - 5.8-32.2 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 92 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 100 0 - 6.1-9.5 HG3 LYS 31 - HE3 LYS 36 far 0 100 0 - 6.3-11.5 QB ALA 12 - HE2 LYS 19 far 0 67 0 - 6.4-19.1 QB ALA 12 - HE3 LYS 19 far 0 67 0 - 6.5-19.6 HG2 LYS 19 - HE3 LYS 24 far 0 75 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 100 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 60 0 - 6.8-34.9 HG2 LYS 86 - HE3 LYS 19 far 0 62 0 - 6.8-38.5 QB ALA 29 - HE3 LYS 36 far 0 99 0 - 6.9-10.3 QB ALA 29 - HE2 LYS 36 far 0 99 0 - 7.1-9.7 QB ALA 34 - HE2 LYS 19 far 0 59 0 - 7.3-24.1 HG2 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 99 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 99 0 - 7.5-22.4 QB ALA 34 - HE2 LYS 31 far 0 60 0 - 7.5-11.5 QB ALA 34 - HE3 LYS 36 far 0 60 0 - 7.6-8.5 QB ALA 29 - HE3 LYS 31 far 0 96 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-28.1 QB ALA 28 - HE2 LYS 31 far 0 100 0 - 7.8-11.0 QB ALA 34 - HE2 LYS 36 far 0 60 0 - 7.9-8.4 QB ALA 28 - HE3 LYS 24 far 0 87 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 88 0 - 8.0-15.1 QB ALA 34 - HE3 LYS 31 far 0 56 0 - 8.0-12.3 QB ALA 28 - HE3 LYS 31 far 0 98 0 - 8.0-11.2 QB ALA 12 - HE3 LYS 86 far 0 41 0 - 8.1-32.9 HG3 LYS 31 - HE2 LYS 24 far 0 98 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 100 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 100 0 - 8.3-23.7 HG2 LYS 86 - HE2 LYS 19 far 0 62 0 - 8.4-38.3 QB ALA 34 - HE3 LYS 19 far 0 59 0 - 8.5-24.4 HG3 LYS 26 - HE3 LYS 31 far 0 98 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.6-26.5 QB ALA 34 - HE3 LYS 86 far 0 36 0 - 8.7-11.0 HG2 LYS 24 - HE3 LYS 26 far 0 97 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 91 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 98 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 99 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 92 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 99 0 - 9.1-20.4 QB ALA 16 - HE2 LYS 24 far 0 97 0 - 9.1-18.0 QB ALA 15 - HE2 LYS 31 far 0 100 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 97 0 - 9.3-15.5 QB ALA 12 - HE2 LYS 36 far 0 68 0 - 9.4-36.4 QB ALA 16 - HE3 LYS 86 far 0 69 0 - 9.6-34.1 HG2 LYS 36 - HE2 LYS 31 far 0 100 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 98 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.7-15.4 QB ALA 12 - HE3 LYS 36 far 0 68 0 - 9.7-37.6 HG3 LYS 26 - HE3 LYS 19 far 0 99 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 87 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 98 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 86 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 98 0 - 9.9-12.6 QB ALA 34 - HE3 LYS 24 far 0 46 0 - 9.9-15.9 HG2 LYS 24 - HE3 LYS 31 far 0 95 0 - 10.0-22.2 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 74 assignments used, quality = 1.00: * HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.3-3.0 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 2.2-2.9 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 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.5-3.0 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HE2 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.4-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.3-3.0 2.9=100 HD3 LYS 26 + HE3 LYS 26 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 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 2.3-3.0 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 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 85 85 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.8-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.4-2.9 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 100 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 100 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 96 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 99 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 99 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 96 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 99 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 99 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 55 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 96 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 68 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 99 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 98 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 99 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 98 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 69 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 60 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 86 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 70 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 84 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 99 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 86 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 99 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 99 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 97 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 86 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 99 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 99 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 96 0 - 9.9-17.4 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 74 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 2.2-2.9 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 26 + HE2 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 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 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 HD3 LYS 26 + HE3 LYS 26 OK 99 99 100 100 2.3-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 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 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 + HE3 LYS 19 OK 97 97 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 86 86 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.8-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 70 70 100 100 2.4-2.9 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 99 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 100 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 99 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 94 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 96 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 97 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 50 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 98 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 70 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 98 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 99 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 99 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 66 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 55 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 83 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 98 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 68 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 82 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 100 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 99 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 80 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 96 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 80 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 99 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 94 0 - 9.9-17.4 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; 5.11 A increased from 4.54 A): 12 out of 98 assignments used, quality = 1.00: HA LYS 31 + HE2 LYS 31 OK 96 98 100 98 2.1-5.2 6.5=49, 822/3.7=33...(27) * HA LYS 31 + HE3 LYS 31 OK 93 100 95 98 2.0-5.9 6.5=49, 822/3.7=33...(27) HA LYS 26 + HE3 LYS 26 OK 85 94 95 95 3.0-6.3 6.6=47, 627/3.6=28...(22) HA LYS 36 + HE3 LYS 36 OK 69 88 80 99 5.0-6.5 6.0=63, 3.0/1064=38...(23) HA LYS 19 + HE3 LYS 19 OK 69 100 70 98 4.9-6.3 6.4=51, 271/3.8=29...(35) HA THR 25 + HE3 LYS 26 OK 65 73 95 93 3.5-5.7 9587=62, 11150/3.6=59...(7) HA PHE 87 + HE3 LYS 86 OK 45 73 70 89 4.1-7.3 4.9/11332=41...(8) HA LYS 36 + HE2 LYS 36 OK 35 88 40 99 5.2-6.5 6.0=63, 3.0/1064=35...(23) HA LYS 26 + HE2 LYS 26 OK 33 98 35 96 3.7-6.4 6.6=47, 627/3.6=28...(23) HA LYS 19 + HE2 LYS 19 OK 29 100 30 98 5.1-6.2 6.4=51, 271/3.8=29...(35) HA LEU 22 + HE3 LYS 24 OK 29 97 65 46 3.2-7.5 11967/4.0=14...(8) HA LEU 22 + HE2 LYS 24 OK 26 100 60 43 2.6-9.0 11967/4.0=14, 282/4.0=9...(8) HA ALA 15 - HE2 LYS 19 poor 19 97 20 - 3.3-12.8 HA ALA 28 - HE2 LYS 26 poor 19 64 30 - 4.7-9.5 HA THR 18 - HE3 LYS 19 poor 19 96 20 - 5.2-8.0 HA THR 25 - HE2 LYS 26 poor 16 78 20 - 4.4-6.6 HA GLN 27 - HE2 LYS 26 poor 14 72 20 - 2.1-8.9 HA ALA 21 - HE2 LYS 24 poor 14 71 20 - 4.2-11.2 HA ALA 21 - HE3 LYS 24 poor 13 67 20 - 3.4-10.6 HA GLN 27 - HE3 LYS 26 poor 13 66 20 - 2.9-8.6 HA ARG 23 - HE2 LYS 24 far 5 99 5 - 5.3-8.2 HA LYS 19 - HE3 LYS 24 far 5 98 5 - 5.0-13.6 HA ALA 15 - HE3 LYS 19 far 5 97 5 - 4.2-13.5 HA ARG 23 - HE3 LYS 24 far 5 96 5 - 4.4-8.2 HA THR 18 - HE2 LYS 19 far 5 96 5 - 5.5-8.1 HA ARG 23 - HE2 LYS 31 far 5 96 5 - 5.0-20.1 HA ARG 23 - HE3 LYS 26 far 5 91 5 - 5.5-9.8 HA LYS 36 - HE2 LYS 26 far 4 89 5 - 4.3-11.5 HA SER 74 - HE3 LYS 19 far 4 86 5 - 5.2-36.6 HA ALA 28 - HE3 LYS 26 far 3 59 5 - 5.1-9.5 HA ALA 16 - HE2 LYS 19 lone 3 99 40 7 2.4-9.8 11966/10705=1, 7131/7.3=1 HA ALA 16 - HE3 LYS 19 lone 2 99 35 7 2.8-10.3 7131/7.3=1 HA LYS 36 - HE3 LYS 26 far 0 84 0 - 5.8-13.1 HA ARG 23 - HE3 LYS 31 far 0 99 0 - 5.8-19.4 HA SER 74 - HE2 LYS 19 far 0 86 0 - 5.8-36.2 HA LYS 19 - HE2 LYS 24 far 0 100 0 - 5.8-13.5 HA ALA 12 - HE2 LYS 19 far 0 91 0 - 6.0-22.2 HA ALA 21 - HE3 LYS 86 far 0 44 0 - 6.1-29.7 HA ALA 12 - HE3 LYS 31 far 0 92 0 - 6.1-40.4 HA LYS 19 - HE3 LYS 31 far 0 100 0 - 6.3-26.2 HA LYS 31 - HE2 LYS 26 far 0 98 0 - 6.4-11.5 HA THR 25 - HE2 LYS 24 far 0 83 0 - 6.4-9.3 HA LEU 22 - HE3 LYS 26 far 0 93 0 - 6.5-14.0 HA ARG 23 - HE2 LYS 26 far 0 96 0 - 6.5-11.3 HA ALA 12 - HE3 LYS 19 far 0 91 0 - 6.5-22.7 HA ARG 84 - HE3 LYS 86 far 0 46 0 - 6.6-8.1 HA THR 25 - HE3 LYS 24 far 0 78 0 - 6.6-9.1 HA THR 18 - HE3 LYS 24 far 0 93 0 - 6.6-13.8 HA LYS 31 - HE3 LYS 26 far 0 94 0 - 6.8-12.3 HA ALA 16 - HE2 LYS 31 far 0 97 0 - 6.9-30.4 HA LEU 22 - HE2 LYS 26 far 0 97 0 - 6.9-15.6 HA ALA 12 - HE2 LYS 31 far 0 88 0 - 7.0-40.4 HA LYS 19 - HE2 LYS 31 far 0 98 0 - 7.1-26.6 HA ALA 21 - HE3 LYS 31 far 0 71 0 - 7.2-25.5 HA PHE 87 - HE3 LYS 19 far 0 100 0 - 7.2-42.2 HA LYS 31 - HE3 LYS 36 far 0 97 0 - 7.4-9.6 HA LYS 26 - HE3 LYS 31 far 0 100 0 - 7.5-15.0 HA SER 74 - HE3 LYS 86 far 0 56 0 - 7.5-9.7 HA THR 18 - HE2 LYS 24 far 0 97 0 - 7.6-15.0 HA LYS 31 - HE2 LYS 36 far 0 97 0 - 7.6-9.8 HA ALA 21 - HE3 LYS 19 far 0 70 0 - 7.6-10.3 HA LEU 22 - HE3 LYS 86 far 0 71 0 - 7.9-26.6 HA THR 18 - HE3 LYS 86 far 0 66 0 - 7.9-33.5 HA ALA 12 - HE3 LYS 86 far 0 61 0 - 8.1-39.4 HA THR 18 - HE3 LYS 26 far 0 88 0 - 8.2-19.3 HA LYS 26 - HE2 LYS 31 far 0 98 0 - 8.2-15.4 HA ALA 21 - HE2 LYS 31 far 0 67 0 - 8.2-26.1 HA THR 18 - HE3 LYS 31 far 0 97 0 - 8.3-28.4 HA ALA 16 - HE3 LYS 31 far 0 99 0 - 8.4-30.7 HA ALA 21 - HE3 LYS 26 far 0 62 0 - 8.4-15.9 HA ALA 15 - HE3 LYS 86 far 0 68 0 - 8.5-39.8 HA PHE 87 - HE2 LYS 19 far 0 100 0 - 8.5-42.1 HA LYS 26 - HE3 LYS 24 far 0 98 0 - 8.6-11.9 HA ALA 21 - HE2 LYS 19 far 0 70 0 - 8.7-10.4 HA LYS 31 - HE3 LYS 19 far 0 100 0 - 8.7-28.4 HA THR 25 - HE2 LYS 19 far 0 82 0 - 8.8-18.5 HA GLN 27 - HE2 LYS 19 far 0 75 0 - 8.8-22.4 HA THR 25 - HE3 LYS 19 far 0 82 0 - 8.8-18.9 HA THR 18 - HE2 LYS 26 far 0 93 0 - 9.0-20.9 HA ALA 21 - HE2 LYS 26 far 0 67 0 - 9.0-17.3 HA ALA 15 - HE2 LYS 31 far 0 95 0 - 9.0-31.5 HA LEU 22 - HE3 LYS 31 far 0 100 0 - 9.0-24.6 HA ARG 23 - HE3 LYS 19 far 0 98 0 - 9.0-13.3 HA LEU 22 - HE2 LYS 31 far 0 97 0 - 9.1-24.1 HA ARG 23 - HE2 LYS 19 far 0 98 0 - 9.2-14.1 HA LYS 26 - HE2 LYS 24 far 0 100 0 - 9.3-11.8 HA LYS 19 - HE3 LYS 86 far 0 72 0 - 9.3-33.7 HA ALA 16 - HE3 LYS 86 far 0 71 0 - 9.5-38.9 HA LEU 22 - HE3 LYS 19 far 0 99 0 - 9.5-13.0 HA LYS 19 - HE3 LYS 26 far 0 94 0 - 9.6-19.2 HA SER 74 - HE3 LYS 24 far 0 83 0 - 9.6-24.1 HA LYS 26 - HE2 LYS 19 far 0 100 0 - 9.6-18.3 HA ARG 84 - HE3 LYS 19 far 0 72 0 - 9.7-44.8 HA THR 18 - HE2 LYS 31 far 0 93 0 - 9.7-28.5 HA LEU 22 - HE2 LYS 19 far 0 99 0 - 9.9-12.7 HA SER 74 - HE3 LYS 26 far 0 77 0 - 9.9-17.7 HA ARG 84 - HE2 LYS 19 far 0 72 0 - 9.9-44.9 HA LYS 31 - HE2 LYS 19 far 0 100 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 878 from aliabs.peaks (1.74, 2.95, 41.80 ppm; 5.39 A): 10 out of 44 assignments used, quality = 1.00: * HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 3.0-5.1 4.8=100 HB2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 3.6-5.5 5.1=100 HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.5-4.5 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.9-4.6 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.4-5.5 4.8=100 HB2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-5.4 5.1=100 HB2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 4.2-5.5 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 3.5-5.0 4.8=100 HB ILE 80 + HE3 LYS 86 OK 69 69 100 100 2.0-5.4 ~11777=67, ~11877=65...(20) HG3 ARG 90 + HE3 LYS 86 OK 43 71 65 94 3.7-8.7 11303/9660=73...(6) HB2 LYS 31 - HE2 LYS 26 far 15 98 15 - 4.9-11.4 HB2 LYS 31 - HE3 LYS 26 far 9 94 10 - 4.4-12.1 HG3 ARG 90 - HE3 LYS 19 far 5 99 5 - 4.1-39.0 HG3 ARG 90 - HE2 LYS 19 far 5 99 5 - 4.9-38.8 HB2 ARG 23 - HE3 LYS 31 far 5 98 5 - 4.8-21.0 HB2 ARG 23 - HE2 LYS 24 far 5 98 5 - 5.6-10.2 HB2 ARG 23 - HE2 LYS 31 far 5 95 5 - 4.8-21.9 HB2 ARG 23 - HE2 LYS 26 far 5 95 5 - 5.5-13.0 HB2 ARG 23 - HE3 LYS 26 far 4 90 5 - 5.2-11.7 HB2 ARG 23 - HE3 LYS 24 far 0 95 0 - 6.2-9.9 HB2 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.4-27.0 HB ILE 80 - HE3 LYS 19 far 0 98 0 - 6.5-38.3 HB2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.6-15.7 HB2 LYS 19 - HE3 LYS 24 far 0 98 0 - 6.8-15.7 HB2 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.8-15.8 HB2 LYS 19 - HE2 LYS 31 far 0 98 0 - 7.3-27.4 HB2 LYS 24 - HE3 LYS 26 far 0 94 0 - 7.4-9.9 HB2 LYS 24 - HE3 LYS 19 far 0 100 0 - 7.5-17.7 HB2 LYS 19 - HE2 LYS 24 far 0 100 0 - 7.8-15.4 HB2 LYS 24 - HE2 LYS 19 far 0 100 0 - 7.8-17.5 HB2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.9-25.8 HB2 ARG 23 - HE3 LYS 19 far 0 97 0 - 7.9-12.3 HB2 ARG 23 - HE3 LYS 86 far 0 68 0 - 8.0-27.8 HB ILE 80 - HE2 LYS 19 far 0 98 0 - 8.2-38.1 HB2 LYS 19 - HE3 LYS 86 far 0 73 0 - 8.3-35.8 HB2 LYS 24 - HE2 LYS 26 far 0 98 0 - 8.3-10.9 HB2 LYS 31 - HE2 LYS 24 far 0 100 0 - 8.4-21.1 HB2 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.4-24.2 HB2 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.4-11.9 HB2 ARG 23 - HE2 LYS 19 far 0 97 0 - 8.5-13.2 HB2 LYS 19 - HE3 LYS 26 far 0 94 0 - 8.5-20.9 HB2 LYS 31 - HE2 LYS 36 far 0 97 0 - 8.8-11.9 HB2 LYS 19 - HE2 LYS 26 far 0 98 0 - 9.3-21.9 HB2 LYS 31 - HE3 LYS 24 far 0 98 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 879 from aliabs.peaks (1.81, 2.95, 41.80 ppm; 5.38 A): 12 out of 63 assignments used, quality = 1.00: * HB3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-5.0 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-5.0 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 99 99 100 100 3.2-5.4 5.1=100 HB3 LYS 19 + HE2 LYS 19 OK 99 99 100 100 3.3-5.4 5.1=100 HB3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.0-5.3 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.4-4.6 5.1=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 3.6-5.0 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.8-4.2 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.5-4.5 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 94 94 100 100 3.7-4.6 4.8=100 HB ILE 32 + HE2 LYS 26 OK 78 98 80 100 4.9-6.6 2.1/10766=78...(43) HB2 LYS 86 + HE3 LYS 86 OK 56 56 100 100 1.8-3.6 4.9=100 HB3 ARG 23 - HE2 LYS 26 far 10 97 10 - 4.6-12.5 HB3 LYS 19 - HE3 LYS 31 far 5 100 5 - 4.9-25.2 HB3 ARG 23 - HE2 LYS 24 far 5 99 5 - 4.7-9.9 HB2 LYS 36 - HE2 LYS 26 far 5 97 5 - 5.4-11.8 HB3 LYS 19 - HE3 LYS 24 far 5 97 5 - 5.6-14.9 HB3 LYS 19 - HE2 LYS 31 far 5 97 5 - 5.6-25.7 HB ILE 32 - HE3 LYS 26 far 5 94 5 - 4.6-7.5 HB3 LYS 31 - HE3 LYS 26 far 5 94 5 - 6.0-13.3 HB3 ARG 23 - HE3 LYS 26 far 5 92 5 - 3.7-11.8 HB3 ARG 23 - HE3 LYS 24 far 0 97 0 - 6.1-9.9 HB3 ARG 23 - HE2 LYS 31 far 0 97 0 - 6.2-23.1 HB ILE 32 - HE2 LYS 31 far 0 98 0 - 6.3-10.3 HB3 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.3-12.4 HB3 ARG 23 - HE3 LYS 31 far 0 99 0 - 6.4-22.1 HB3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-14.0 HB3 LYS 19 - HE2 LYS 24 far 0 100 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 56 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 72 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 97 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 71 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 100 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 86 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 93 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 89 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 93 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 97 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 89 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 94 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 97 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 97 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 86 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 86 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 98 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 100 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 60 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 83 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 71 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 100 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 97 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 100 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 99 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 100 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 77 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 97 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 71 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 86 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 83 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 880 from aliabs.peaks (1.46, 2.95, 41.80 ppm; 5.06 A): 12 out of 46 assignments used, quality = 1.00: * HG2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HG2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.1-4.0 3.7=100 HG3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.3-4.0 4.0=100 HG3 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.0-3.5 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.0-3.5 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 95 95 100 100 2.3-3.9 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 84 84 100 100 2.1-3.9 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 84 84 100 100 2.2-3.7 3.8=100 HG2 LYS 26 + HE2 LYS 26 OK 64 64 100 100 2.7-4.1 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 59 59 100 100 2.2-3.8 3.6=100 HG3 LYS 86 + HE3 LYS 86 OK 55 55 100 100 2.4-3.8 3.7=100 HG13 ILE 32 + HE2 LYS 26 OK 35 59 60 100 3.5-6.7 3.2/10766=66, ~10767=52...(40) HG13 ILE 32 - HE3 LYS 26 poor 14 54 25 - 4.5-7.4 HG3 LYS 19 - HE3 LYS 31 far 4 85 5 - 4.4-25.7 HG3 LYS 86 - HE3 LYS 19 far 4 84 5 - 5.3-38.4 HG3 LYS 19 - HE2 LYS 31 far 4 81 5 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 55 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 94 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.5-13.4 HG2 LYS 26 - HE2 LYS 31 far 0 64 0 - 6.6-15.6 HG13 ILE 32 - HE2 LYS 31 far 0 59 0 - 6.7-10.1 HG3 LYS 86 - HE2 LYS 19 far 0 84 0 - 6.8-38.4 HG13 ILE 32 - HE3 LYS 31 far 0 63 0 - 6.9-10.1 HG2 LYS 26 - HE3 LYS 31 far 0 68 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 81 0 - 7.0-15.8 HG3 LYS 36 - HE2 LYS 26 far 0 98 0 - 7.1-13.4 HG3 LYS 19 - HE3 LYS 26 far 0 75 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 97 0 - 7.4-12.4 HG3 LYS 19 - HE2 LYS 26 far 0 81 0 - 7.6-21.0 HG2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-26.4 HG2 LYS 31 - HE2 LYS 36 far 0 97 0 - 8.0-11.8 HG2 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 85 0 - 8.4-15.9 HG3 LYS 24 - HE3 LYS 19 far 0 97 0 - 8.6-17.0 HG3 LYS 36 - HE3 LYS 26 far 0 94 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 98 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 100 0 - 9.0-23.6 HG13 ILE 32 - HE3 LYS 36 far 0 58 0 - 9.0-11.0 HG3 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 90 0 - 9.3-11.4 HG13 ILE 32 - HE2 LYS 36 far 0 58 0 - 9.4-11.1 QB ALA 92 - HE3 LYS 86 far 0 40 0 - 9.6-11.3 HG3 LYS 24 - HE2 LYS 26 far 0 95 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 100 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 68 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 63 0 - 9.8-14.5 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 85 assignments used, quality = 1.00: * HG3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-4.0 3.7=100 HG3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.1-4.2 3.7=100 HG2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.1-4.1 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.3-3.8 3.6=100 HG2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 3.1-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.1-4.1 4.0=100 HG2 LYS 24 + HE3 LYS 24 OK 95 95 100 100 2.0-4.2 4.0=100 HG3 LYS 26 + HE3 LYS 26 OK 93 93 100 100 2.0-3.4 3.6=100 HG2 LYS 19 + HE3 LYS 19 OK 91 91 100 100 2.1-4.1 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 91 91 100 100 2.8-3.7 3.8=100 HG2 LYS 86 + HE3 LYS 86 OK 38 38 100 100 2.5-3.7 3.7=100 QB ALA 15 - HE2 LYS 19 poor 20 99 20 - 3.9-11.9 QB ALA 15 - HE3 LYS 19 far 15 99 15 - 4.1-12.5 QB ALA 29 - HE2 LYS 26 far 14 96 15 - 3.3-7.6 QB ALA 34 - HE3 LYS 26 poor 13 52 25 - 4.0-7.8 QB ALA 29 - HE3 LYS 26 far 9 92 10 - 4.1-8.3 QB ALA 16 - HE2 LYS 31 far 5 97 5 - 3.9-25.9 HG2 LYS 19 - HE3 LYS 31 far 5 92 5 - 4.6-26.0 QB ALA 12 - HE3 LYS 31 far 3 68 5 - 3.6-33.9 QB ALA 12 - HE2 LYS 31 far 3 64 5 - 4.1-33.9 QB ALA 16 - HE2 LYS 19 lone 2 99 40 4 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 1 99 35 4 2.7-9.0 QB ALA 34 - HE2 LYS 26 lone 0 56 55 1 3.1-7.1 QB ALA 16 - HE3 LYS 31 far 0 99 0 - 5.2-26.1 QB ALA 15 - HE3 LYS 86 far 0 72 0 - 5.8-32.2 QB ALA 28 - HE2 LYS 26 far 0 98 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 88 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 94 0 - 6.1-9.5 HG3 LYS 31 - HE3 LYS 36 far 0 97 0 - 6.3-11.5 QB ALA 12 - HE2 LYS 19 far 0 67 0 - 6.4-19.1 QB ALA 12 - HE3 LYS 19 far 0 67 0 - 6.5-19.6 HG2 LYS 19 - HE3 LYS 24 far 0 88 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 97 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 61 0 - 6.8-34.9 HG2 LYS 86 - HE3 LYS 19 far 0 62 0 - 6.8-38.5 QB ALA 29 - HE3 LYS 36 far 0 95 0 - 6.9-10.3 QB ALA 29 - HE2 LYS 36 far 0 95 0 - 7.1-9.7 QB ALA 34 - HE2 LYS 19 far 0 59 0 - 7.3-24.1 HG2 LYS 36 - HE2 LYS 26 far 0 97 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 96 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 93 0 - 7.5-22.4 QB ALA 34 - HE2 LYS 31 far 0 56 0 - 7.5-11.5 QB ALA 34 - HE3 LYS 36 far 0 55 0 - 7.6-8.5 QB ALA 29 - HE3 LYS 31 far 0 99 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-28.1 QB ALA 28 - HE2 LYS 31 far 0 98 0 - 7.8-11.0 QB ALA 34 - HE2 LYS 36 far 0 55 0 - 7.9-8.4 QB ALA 28 - HE3 LYS 24 far 0 98 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 92 0 - 8.0-15.1 QB ALA 34 - HE3 LYS 31 far 0 60 0 - 8.0-12.3 QB ALA 28 - HE3 LYS 31 far 0 100 0 - 8.0-11.2 QB ALA 12 - HE3 LYS 86 far 0 42 0 - 8.1-32.9 HG3 LYS 31 - HE2 LYS 24 far 0 100 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 98 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 98 0 - 8.3-23.7 HG2 LYS 86 - HE2 LYS 19 far 0 62 0 - 8.4-38.3 QB ALA 34 - HE3 LYS 19 far 0 59 0 - 8.5-24.4 HG3 LYS 26 - HE3 LYS 31 far 0 100 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 100 0 - 8.6-26.5 QB ALA 34 - HE3 LYS 86 far 0 36 0 - 8.7-11.0 HG2 LYS 24 - HE3 LYS 26 far 0 90 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 82 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 100 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 93 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 88 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 99 0 - 9.1-20.4 QB ALA 16 - HE2 LYS 24 far 0 99 0 - 9.1-18.0 QB ALA 15 - HE2 LYS 31 far 0 98 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 97 0 - 9.3-15.5 QB ALA 12 - HE2 LYS 36 far 0 63 0 - 9.4-36.4 QB ALA 16 - HE3 LYS 86 far 0 71 0 - 9.6-34.1 HG2 LYS 36 - HE2 LYS 31 far 0 97 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 95 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 97 0 - 9.7-15.4 QB ALA 12 - HE3 LYS 36 far 0 63 0 - 9.7-37.6 HG3 LYS 26 - HE3 LYS 19 far 0 99 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 96 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 98 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 95 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 98 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 100 0 - 9.9-12.6 QB ALA 34 - HE3 LYS 24 far 0 56 0 - 9.9-15.9 HG2 LYS 24 - HE3 LYS 31 far 0 98 0 - 10.0-22.2 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 74 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 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 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 2.2-2.9 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.3-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.5-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 95 95 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 95 95 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.8-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.4-2.9 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 100 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 100 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 99 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 96 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 96 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 99 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 96 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 56 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 99 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 97 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 69 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 98 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 97 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 97 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 97 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 92 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 70 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 98 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 61 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 97 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 99 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 71 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 96 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 96 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 92 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 94 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 86 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 96 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 92 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 95 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 100 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 86 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 100 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 95 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 92 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 93 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 99 0 - 9.9-17.4 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 74 assignments used, quality = 1.00: * HD3 LYS 31 + HE3 LYS 31 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 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 2.2-2.9 3.0=100 HD2 LYS 19 + HE3 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 HD2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.5-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 97 97 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.3-3.0 2.9=100 HD2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.8-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.4-2.9 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 99 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 100 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 99 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 94 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 98 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 100 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 98 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 97 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 98 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 99 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 94 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 51 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 100 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 97 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 71 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 97 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 98 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 98 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 100 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 98 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 93 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 67 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 98 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 56 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 96 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 97 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 100 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 69 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 94 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 97 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 94 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 93 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 80 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 97 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 94 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 96 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 99 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 80 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 99 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 96 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 89 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 91 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 97 0 - 9.9-17.4 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 3.0-3.0 3.0=100 HB3 LYS 26 - HA ILE 32 far 5 100 5 - 3.5-7.3 HB3 LYS 31 - HA ILE 32 far 0 100 0 - 5.7-5.9 HB2 LYS 36 - HA ILE 32 far 0 99 0 - 6.1-8.1 HB3 ARG 23 - HA ILE 32 far 0 99 0 - 6.5-15.8 HB3 LYS 24 - HA ILE 32 far 0 100 0 - 8.7-15.9 HB3 LYS 19 - HA ILE 32 far 0 100 0 - 10.0-22.3 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 2 assignments used, quality = 1.00: * QG2 ILE 32 + HA ILE 32 OK 100 100 100 100 2.3-2.7 904=100, 6362/6360=51...(33) QD2 LEU 22 - HA ILE 32 far 0 100 0 - 7.5-17.9 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 2 assignments used, quality = 1.00: * HG12 ILE 32 + HA ILE 32 OK 100 100 100 100 2.2-2.5 912=93, 1.8/892=63...(26) QG2 THR 25 - HA ILE 32 far 0 76 0 - 6.1-10.7 Violated in 0 structures by 0.00 A. Peak 892 from aliabs.peaks (1.43, 4.11, 60.96 ppm; 3.54 A increased from 3.34 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 32 + HA ILE 32 OK 100 100 100 100 2.9-3.4 920=100, 1.8/891=80...(27) HG2 LYS 26 - HA ILE 32 far 5 100 5 - 3.9-8.3 QB ALA 34 - HA ILE 32 far 0 93 0 - 4.8-5.2 HG2 LYS 31 - HA ILE 32 far 0 63 0 - 4.9-6.2 HG3 LYS 24 - HA ILE 32 far 0 85 0 - 8.7-16.9 Violated in 0 structures by 0.00 A. Peak 893 from aliabs.peaks (0.77, 4.11, 60.96 ppm; 3.86 A increased from 3.43 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 32 + HA ILE 32 OK 100 100 100 100 3.5-3.7 928=100, 2.1/891=83...(27) QD1 ILE 37 - HA ILE 32 far 0 100 0 - 6.5-7.3 Violated in 0 structures by 0.00 A. Peak 896 from aliabs.peaks (4.11, 1.81, 38.56 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 32 + HB ILE 32 OK 100 100 100 100 3.0-3.0 3.0=100 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 2 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 22 - HB ILE 32 far 0 100 0 - 7.9-18.9 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 2 assignments used, quality = 1.00: * HG12 ILE 32 + HB ILE 32 OK 100 100 100 100 3.0-3.0 2.9=100 QG2 THR 25 - HB ILE 32 far 0 76 0 - 7.0-9.8 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 4 assignments used, quality = 1.00: * HG13 ILE 32 + HB ILE 32 OK 100 100 100 100 2.3-2.4 2.9=100 QB ALA 34 - HB ILE 32 far 0 93 0 - 4.9-6.2 HG2 LYS 26 - HB ILE 32 far 0 100 0 - 5.1-7.5 HG2 LYS 31 - HB ILE 32 far 0 63 0 - 6.8-8.1 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 2 assignments used, quality = 1.00: * QD1 ILE 32 + HB ILE 32 OK 100 100 100 100 2.5-2.7 3.2=100 QD1 ILE 37 - HB ILE 32 far 0 100 0 - 7.0-7.9 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 5 assignments used, quality = 1.00: * HA ILE 32 + QG2 ILE 32 OK 100 100 100 100 2.3-2.7 890=88, 6360/6362=47...(33) HA PHE 89 + QG2 ILE 129 OK 24 37 100 65 2.6-3.4 2897/9946=19...(16) HA CYS 79 - QG2 ILE 32 far 0 100 0 - 7.4-10.5 HA ILE 80 - QG2 ILE 129 far 0 44 0 - 7.4-7.9 HA CYS 45 - QG2 ILE 129 far 0 53 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 905 from aliabs.peaks (1.81, 0.84, 17.13 ppm; 2.55 A): 1 out of 14 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 far 0 99 0 - 3.6-6.0 HB3 LYS 26 - QG2 ILE 32 far 0 100 0 - 3.7-6.6 HB VAL 93 - QG2 ILE 129 far 0 44 0 - 3.9-4.2 HB3 ARG 23 - QG2 ILE 32 far 0 99 0 - 6.7-13.3 HB3 LYS 31 - QG2 ILE 32 far 0 100 0 - 6.8-7.1 HB3 LYS 24 - QG2 ILE 32 far 0 100 0 - 7.2-12.3 HB2 CYS 79 - QG2 ILE 32 far 0 85 0 - 7.5-9.7 HB2 LYS 86 - QG2 ILE 129 far 0 44 0 - 8.1-8.8 HB3 ARG 135 - QG2 ILE 129 far 0 53 0 - 8.5-9.6 HB3 LEU 122 - QG2 ILE 129 far 0 38 0 - 9.3-10.1 HB2 CYS 79 - QG2 ILE 129 far 0 41 0 - 9.4-9.9 HB3 LYS 19 - QG2 ILE 32 far 0 100 0 - 9.5-19.8 HB2 LEU 100 - QG2 ILE 129 far 0 50 0 - 9.9-10.7 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 9 assignments used, quality = 1.00: * HG12 ILE 32 + QG2 ILE 32 OK 100 100 100 100 2.5-2.7 3.2=72, 2.1/930=64...(27) QG2 VAL 132 + QG2 ILE 129 OK 22 47 50 91 3.1-3.9 10477/3.2=27...(22) QG1 VAL 132 - QG2 ILE 129 far 0 31 0 - 4.4-5.0 QG2 THR 25 - QG2 ILE 32 far 0 76 0 - 5.5-8.2 HG3 LYS 39 - QG2 ILE 129 far 0 53 0 - 7.2-8.0 HG2 LYS 39 - QG2 ILE 129 far 0 41 0 - 7.6-9.3 QB ALA 41 - QG2 ILE 129 far 0 37 0 - 8.0-8.8 QG2 THR 18 - QG2 ILE 32 far 0 97 0 - 8.3-18.2 QB ALA 41 - QG2 ILE 32 far 0 78 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 908 from aliabs.peaks (1.43, 0.84, 17.13 ppm; 3.24 A increased from 2.88 A): 3 out of 10 assignments used, quality = 1.00: * HG13 ILE 32 + QG2 ILE 32 OK 100 100 100 100 3.1-3.2 3.2=100 QB ALA 34 + QG2 ILE 32 OK 84 93 100 90 2.6-3.5 6364/6362=42...(11) QB ALA 92 + QG2 ILE 129 OK 50 55 90 99 2.9-3.9 9946=60, 10491/3.0=51...(24) HG2 LYS 26 - QG2 ILE 32 far 15 100 15 - 3.4-6.4 HG2 LYS 31 - QG2 ILE 32 far 0 63 0 - 6.4-7.6 HG2 LYS 86 - QG2 ILE 129 far 0 46 0 - 7.0-7.7 HG3 LYS 24 - QG2 ILE 32 far 0 85 0 - 8.7-13.8 HG3 LYS 19 - QG2 ILE 32 far 0 98 0 - 8.8-20.5 QB ALA 34 - QG2 ILE 129 far 0 47 0 - 9.0-10.6 HG3 LYS 19 - QG2 ILE 129 far 0 52 0 - 9.8-34.0 Violated in 0 structures by 0.00 A. Peak 909 from aliabs.peaks (0.77, 0.84, 17.13 ppm; 2.93 A): 3 out of 11 assignments used, quality = 1.00: * QD1 ILE 32 + QG2 ILE 32 OK 100 100 100 100 1.8-1.8 930=100, 2.1/907=63...(35) HG12 ILE 129 + QG2 ILE 129 OK 36 37 100 98 2.6-3.2 3.2=77, 2.1/4163=56...(18) QD2 LEU 96 + QG2 ILE 129 OK 21 41 65 79 3.2-4.0 4164/3.0=21, ~10492=10...(23) QG1 VAL 93 - QG2 ILE 129 far 0 42 0 - 3.7-4.3 QD2 LEU 43 - QG2 ILE 129 far 0 34 0 - 4.3-5.3 QD1 LEU 96 - QG2 ILE 129 far 0 54 0 - 4.7-5.9 QD1 ILE 37 - QG2 ILE 32 far 0 100 0 - 4.8-5.7 QD2 LEU 49 - QG2 ILE 129 far 0 27 0 - 6.6-7.2 QD2 LEU 122 - QG2 ILE 129 far 0 42 0 - 7.2-9.4 QD1 ILE 37 - QG2 ILE 129 far 0 56 0 - 7.9-8.7 QD1 LEU 53 - QG2 ILE 129 far 0 32 0 - 8.1-9.9 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 1 assignment used, quality = 1.00: * HA ILE 32 + HG12 ILE 32 OK 100 100 100 100 2.2-2.5 891=100, 892/1.8=68...(26) Violated in 0 structures by 0.00 A. Peak 913 from aliabs.peaks (1.81, 1.15, 27.21 ppm; 3.44 A): 2 out of 7 assignments used, quality = 1.00: * HB ILE 32 + HG12 ILE 32 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 LYS 26 + HG12 ILE 32 OK 46 100 55 84 2.8-5.5 3.5/10767=29, 929/2.1=21...(16) HB3 LYS 31 - HG12 ILE 32 far 0 100 0 - 5.7-7.4 HB2 LYS 36 - HG12 ILE 32 far 0 99 0 - 7.4-9.7 HB3 ARG 23 - HG12 ILE 32 far 0 99 0 - 8.1-15.0 HB3 LYS 24 - HG12 ILE 32 far 0 100 0 - 8.6-14.3 HB3 LYS 19 - HG12 ILE 32 far 0 100 0 - 9.7-21.0 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 2 assignments used, quality = 1.00: * QG2 ILE 32 + HG12 ILE 32 OK 100 100 100 100 2.5-2.7 3.2=100 QD2 LEU 22 - HG12 ILE 32 far 0 100 0 - 6.6-16.8 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 0 100 0 - 3.3-7.1 QB ALA 34 - HG12 ILE 32 far 0 93 0 - 4.6-6.3 HG2 LYS 31 - HG12 ILE 32 far 0 63 0 - 6.2-8.2 HG3 LYS 19 - HG12 ILE 32 far 0 98 0 - 9.2-22.0 HG3 LYS 24 - HG12 ILE 32 far 0 85 0 - 9.3-15.3 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 2 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 0 100 0 - 7.7-9.1 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 1 assignment used, quality = 1.00: * HA ILE 32 + HG13 ILE 32 OK 100 100 100 100 2.9-3.4 892=100, 891/1.8=81...(27) Violated in 0 structures by 0.00 A. Peak 921 from aliabs.peaks (1.81, 1.43, 27.21 ppm; 3.19 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 32 + HG13 ILE 32 OK 100 100 100 100 2.3-2.4 2.9=100 HB3 LYS 26 - HG13 ILE 32 poor 18 100 25 74 3.2-5.7 913/1.8=20, 929/2.1=18...(19) HB3 LYS 31 - HG13 ILE 32 far 0 100 0 - 5.5-6.8 HB2 LYS 36 - HG13 ILE 32 far 0 99 0 - 7.2-9.3 HB3 ARG 23 - HG13 ILE 32 far 0 99 0 - 9.1-15.3 HB3 LYS 24 - HG13 ILE 32 far 0 100 0 - 10.0-14.3 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 2 assignments used, quality = 1.00: * QG2 ILE 32 + HG13 ILE 32 OK 100 100 100 100 3.1-3.2 3.2=100 QD2 LEU 22 - HG13 ILE 32 far 0 100 0 - 6.5-17.7 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 3 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 0 76 0 - 6.4-8.8 QG2 THR 18 - HG13 ILE 32 far 0 97 0 - 9.4-21.1 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 2 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 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 928 from aliabs.peaks (4.11, 0.77, 12.40 ppm; 3.73 A increased from 3.32 A): 1 out of 6 assignments used, quality = 1.00: * HA ILE 32 + QD1 ILE 32 OK 100 100 100 100 3.5-3.7 893=100, 891/2.1=79...(27) HA ILE 32 - QD1 ILE 37 far 0 76 0 - 6.5-7.3 HA CYS 79 - QD1 ILE 37 far 0 76 0 - 7.3-9.2 HA ILE 80 - QD1 ILE 37 far 0 61 0 - 8.2-9.5 HA CYS 79 - QD1 ILE 32 far 0 100 0 - 8.5-12.0 HA CYS 45 - QD1 ILE 37 far 0 74 0 - 9.1-10.1 Violated in 1 structures by 0.00 A. Peak 929 from aliabs.peaks (1.81, 0.77, 12.40 ppm; 3.05 A): 3 out of 14 assignments used, quality = 1.00: * HB ILE 32 + QD1 ILE 32 OK 100 100 100 100 2.5-2.7 3.2=84, 2.1/930=71...(30) HB2 LYS 36 + QD1 ILE 37 OK 54 74 85 86 3.3-4.9 6404/6417=32...(17) HB3 LYS 26 + QD1 ILE 32 OK 38 100 50 76 1.7-5.8 3.0/10704=17, 913/2.1=17...(18) HB2 CYS 79 - QD1 ILE 37 far 0 58 0 - 5.9-7.6 HB2 LYS 36 - QD1 ILE 32 far 0 99 0 - 6.0-8.1 HB3 ARG 23 - QD1 ILE 32 far 0 99 0 - 6.3-13.5 HB3 LYS 31 - QD1 ILE 32 far 0 100 0 - 6.4-7.6 HB3 LYS 24 - QD1 ILE 32 far 0 100 0 - 6.9-11.2 HB ILE 32 - QD1 ILE 37 far 0 76 0 - 7.0-7.9 HB3 LYS 19 - QD1 ILE 32 far 0 100 0 - 8.5-19.0 HB3 ARG 23 - QD1 ILE 37 far 0 74 0 - 8.6-19.1 HB2 CYS 79 - QD1 ILE 32 far 0 85 0 - 9.1-11.4 HB3 LYS 26 - QD1 ILE 37 far 0 75 0 - 9.5-11.6 HB3 LYS 31 - QD1 ILE 37 far 0 76 0 - 10.0-11.2 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 10 assignments used, quality = 1.00: * QG2 ILE 32 + QD1 ILE 32 OK 100 100 100 100 1.8-1.8 909=100, 907/2.1=63...(35) QD2 LEU 22 - QD1 ILE 32 far 0 100 0 - 4.3-13.7 QG2 ILE 32 - QD1 ILE 37 far 0 76 0 - 4.8-5.7 QD2 LEU 69 - QD1 ILE 37 far 0 43 0 - 7.1-7.8 QG1 VAL 133 - QD1 ILE 37 far 0 76 0 - 7.6-8.5 QD1 LEU 70 - QD1 ILE 37 far 0 43 0 - 7.8-8.7 HG13 ILE 80 - QD1 ILE 37 far 0 43 0 - 7.8-9.8 QG2 ILE 129 - QD1 ILE 37 far 0 65 0 - 7.9-8.7 QD2 LEU 70 - QD1 ILE 37 far 0 60 0 - 8.0-8.8 QG2 ILE 80 - QD1 ILE 37 far 0 49 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 931 from aliabs.peaks (1.15, 0.77, 12.40 ppm; 2.71 A): 1 out of 8 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 far 0 52 0 - 3.6-4.6 QG2 THR 25 - QD1 ILE 32 far 0 76 0 - 4.1-6.8 QG2 THR 18 - QD1 ILE 32 far 0 97 0 - 6.6-17.6 QG2 THR 25 - QD1 ILE 37 far 0 51 0 - 7.0-12.8 HG12 ILE 32 - QD1 ILE 37 far 0 76 0 - 7.7-9.1 HG2 LYS 39 - QD1 ILE 37 far 0 58 0 - 9.2-10.8 HG3 LYS 39 - QD1 ILE 37 far 0 74 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 932 from aliabs.peaks (1.43, 0.77, 12.40 ppm; 2.75 A): 1 out of 10 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 20 100 20 - 2.3-6.3 QB ALA 34 - QD1 ILE 37 far 3 66 5 - 3.0-4.7 QB ALA 34 - QD1 ILE 32 far 0 93 0 - 3.8-5.1 HG2 LYS 31 - QD1 ILE 32 far 0 63 0 - 7.2-8.5 HG2 LYS 26 - QD1 ILE 37 far 0 76 0 - 7.9-11.7 HG3 LYS 19 - QD1 ILE 32 far 0 98 0 - 7.9-19.9 HG2 LYS 31 - QD1 ILE 37 far 0 41 0 - 8.2-10.5 HG3 LYS 24 - QD1 ILE 32 far 0 85 0 - 8.5-13.1 HG13 ILE 32 - QD1 ILE 37 far 0 76 0 - 8.7-9.6 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 8 assignments used, quality = 1.00: * HB2 SER 33 + HA SER 33 OK 100 100 100 100 2.4-2.9 3.0=94, 1.8/946=68...(15) HB2 SER 107 + HA SER 107 OK 55 56 100 98 2.4-3.0 3.0=95, 7556/3.6=24...(7) HB2 SER 60 - HA SER 107 far 0 62 0 - 5.5-10.7 HB2 SER 94 - HA SER 9 far 0 64 0 - 6.1-43.0 HB3 SER 60 - HA SER 107 far 0 62 0 - 6.2-10.9 HA3 GLY 75 - HA SER 33 far 0 93 0 - 6.8-8.0 HA2 GLY 111 - HA SER 107 far 0 38 0 - 7.1-10.6 HA2 GLY 114 - HA SER 107 far 0 37 0 - 9.1-11.1 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 2.5-3.0 3.0=100 HB2 SER 9 + HA SER 9 OK 42 42 100 100 2.5-3.0 3.0=100 HD2 PRO 117 - HA SER 107 far 0 44 0 - 7.1-9.8 HA LEU 62 - HA SER 107 far 0 62 0 - 9.2-11.6 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 11 assignments used, quality = 1.00: * HA SER 33 + HB2 SER 33 OK 100 100 100 100 2.4-2.9 3.0=100 HA SER 107 + HB2 SER 107 OK 72 72 100 100 2.4-3.0 3.0=100 HA SER 9 - HB2 SER 94 far 0 66 0 - 6.1-43.0 HA MET 11 - HB2 SER 94 far 0 48 0 - 6.2-36.2 HA ASP 71 - HB2 SER 33 far 0 73 0 - 6.8-8.2 HA VAL 112 - HB2 SER 107 far 0 40 0 - 8.5-11.5 HA CYS 73 - HB2 SER 94 far 0 62 0 - 9.2-10.3 HA PRO 117 - HB2 SER 107 far 0 38 0 - 9.5-12.8 HA THR 115 - HB2 SER 107 far 0 69 0 - 9.5-12.2 HA MET 11 - HB2 SER 33 far 0 76 0 - 9.5-38.6 HA PRO 113 - HB2 SER 107 far 0 40 0 - 9.8-13.2 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 5 assignments used, quality = 1.00: * HB3 SER 33 + HB2 SER 33 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 9 - HB2 SER 94 far 0 47 0 - 4.0-42.4 HA LEU 62 - HB2 SER 107 far 0 72 0 - 7.8-10.0 HD2 PRO 117 - HB2 SER 107 far 0 53 0 - 8.6-12.2 HD3 PRO 58 - HB2 SER 107 far 0 58 0 - 8.8-11.8 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 3 assignments used, quality = 1.00: * HA SER 33 + HB3 SER 33 OK 100 100 100 100 2.5-3.0 3.0=98, 937/1.8=44...(15) HA ASP 71 - HB3 SER 33 far 0 73 0 - 5.8-7.6 HA CYS 73 - HB3 SER 33 far 0 92 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 947 from aliabs.peaks (3.91, 3.84, 63.38 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 33 + HB3 SER 33 OK 100 100 100 100 1.8-1.8 1.8=100 HA3 GLY 75 - HB3 SER 33 far 0 93 0 - 4.4-5.6 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 4 assignments used, quality = 1.00: * QB ALA 34 + HA ALA 34 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 LYS 26 - HA ALA 34 far 0 90 0 - 6.8-11.3 HG13 ILE 32 - HA ALA 34 far 0 93 0 - 8.5-9.3 HG3 LYS 31 - HA ALA 34 far 0 60 0 - 9.9-12.7 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 5 assignments used, quality = 1.00: * HA ALA 34 + QB ALA 34 OK 100 100 100 100 2.1-2.1 2.1=100 HB THR 25 - QB ALA 34 far 0 71 0 - 6.1-11.5 HA ALA 29 - QB ALA 34 far 0 95 0 - 6.2-7.6 HB3 SER 38 - QB ALA 34 far 0 100 0 - 7.9-9.8 HA GLU 30 - QB ALA 34 far 0 100 0 - 9.6-10.8 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 2.4-2.9 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 2.7-3.0 3.0=95, 6390/6388=27...(7) HB3 ASP 78 - HA ASP 35 far 0 100 0 - 8.5-11.4 Violated in 1 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 2.4-2.9 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 1 assignment used, quality = 1.00: * HB3 ASP 35 + HB2 ASP 35 OK 100 100 100 100 1.8-1.8 1.8=100 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 2.7-3.0 3.0=100 HA ASP 35 - HB3 ASP 78 far 0 57 0 - 8.5-11.4 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 1 assignment used, quality = 1.00: * HB2 ASP 35 + HB3 ASP 35 OK 100 100 100 100 1.8-1.8 1.8=100 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): 4 out of 22 assignments used, quality = 1.00: * HB2 LYS 36 + HA LYS 36 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 LYS 31 + HA LYS 31 OK 55 55 100 100 2.5-2.6 3.0=100 HB3 LYS 26 + HA LYS 26 OK 51 51 100 100 2.3-3.0 3.0=100 HB3 LYS 19 + HA LYS 19 OK 50 50 100 100 2.5-2.7 3.0=100 HB3 LYS 31 - HA LYS 26 far 0 50 0 - 4.5-12.4 HB3 LYS 26 - HA LYS 31 far 0 56 0 - 4.5-10.2 HB ILE 32 - HA LYS 26 far 0 49 0 - 4.8-10.0 HB ILE 32 - HA LYS 31 far 0 55 0 - 4.8-5.6 HB3 ARG 23 - HA LYS 26 far 0 51 0 - 5.4-10.0 HB3 LYS 24 - HA LYS 19 far 0 53 0 - 5.5-13.9 HB3 LYS 19 - HA LYS 31 far 0 52 0 - 5.6-24.7 HB3 LYS 31 - HA LYS 19 far 0 53 0 - 5.7-24.3 HB3 ARG 23 - HA LYS 19 far 0 54 0 - 5.8-10.6 HB ILE 32 - HA LYS 36 far 0 99 0 - 6.4-7.7 HB3 LYS 24 - HA LYS 26 far 0 51 0 - 6.7-8.2 HB3 ARG 23 - HA LYS 31 far 0 56 0 - 7.2-20.2 HB2 CYS 79 - HA LYS 36 far 0 95 0 - 7.7-10.1 HB3 LYS 19 - HA LYS 26 far 0 47 0 - 7.7-15.6 HB2 LYS 36 - HA LYS 31 far 0 56 0 - 7.8-9.5 HB2 CYS 79 - HA LYS 19 far 0 47 0 - 8.0-30.8 HB3 LYS 26 - HA LYS 36 far 0 100 0 - 8.7-14.1 HB2 LYS 36 - HA LYS 26 far 0 51 0 - 9.4-16.2 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 2 assignments used, quality = 1.00: * HB3 LYS 36 + HA LYS 36 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 LYS 36 - HA LYS 31 far 0 56 0 - 8.0-9.7 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 25 assignments used, quality = 1.00: * HG2 LYS 36 + HA LYS 36 OK 100 100 100 100 3.1-3.3 4.1=72, 6394/3.0=54...(29) HG3 LYS 31 + HA LYS 31 OK 55 55 100 99 2.2-3.7 3.8=92, 1.8/822=27...(21) HG3 LYS 26 + HA LYS 26 OK 51 51 100 100 2.6-3.7 4.0=77, 6253/2.9=60...(31) HG2 LYS 19 + HA LYS 19 OK 49 50 100 99 3.5-3.6 4.2=71, 6151/3.0=55...(39) QB ALA 28 - HA LYS 26 far 8 50 15 - 3.8-7.7 HG2 LYS 24 - HA LYS 19 far 0 53 0 - 4.8-11.2 HG3 LYS 31 - HA LYS 19 far 0 53 0 - 4.8-25.5 QB ALA 29 - HA LYS 36 far 0 100 0 - 5.2-8.8 QB ALA 29 - HA LYS 31 far 0 56 0 - 5.5-6.6 QB ALA 29 - HA LYS 26 far 0 51 0 - 5.6-9.5 QB ALA 16 - HA LYS 19 far 0 49 0 - 6.1-9.7 QB ALA 12 - HA LYS 31 far 0 39 0 - 6.2-33.7 QB ALA 28 - HA LYS 31 far 0 55 0 - 6.6-7.7 HG3 LYS 26 - HA LYS 31 far 0 56 0 - 6.6-12.4 HG3 LYS 31 - HA LYS 26 far 0 50 0 - 6.8-12.7 QB ALA 15 - HA LYS 19 far 0 54 0 - 6.9-12.4 HG2 LYS 19 - HA LYS 31 far 0 52 0 - 6.9-25.0 HG3 LYS 26 - HA LYS 36 far 0 100 0 - 7.8-13.9 QB ALA 16 - HA LYS 31 far 0 51 0 - 7.9-25.4 HG2 LYS 24 - HA LYS 26 far 0 50 0 - 8.0-9.2 QB ALA 28 - HA LYS 19 far 0 53 0 - 8.6-20.2 HG2 LYS 19 - HA LYS 26 far 0 47 0 - 8.9-15.8 QB ALA 12 - HA LYS 19 far 0 37 0 - 9.1-20.2 HG2 LYS 24 - HA LYS 31 far 0 55 0 - 9.5-19.9 HG3 LYS 26 - HA LYS 19 far 0 54 0 - 9.9-17.8 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 14 assignments used, quality = 1.00: * HG3 LYS 36 + HA LYS 36 OK 100 100 100 100 3.4-3.5 4.1=100 HG2 LYS 31 + HA LYS 31 OK 56 56 100 100 2.2-3.7 3.8=100 HG3 LYS 19 + HA LYS 19 OK 37 37 100 100 4.2-4.2 4.2=98, ~6151=44...(40) HG2 LYS 26 + HA LYS 26 OK 26 26 100 100 2.9-4.2 4.0=100 HG3 LYS 24 - HA LYS 19 far 2 49 5 - 4.3-12.8 HG2 LYS 26 - HA LYS 31 far 0 28 0 - 5.1-11.8 HG3 LYS 19 - HA LYS 31 far 0 39 0 - 6.2-25.0 HG2 LYS 31 - HA LYS 19 far 0 54 0 - 6.3-23.8 HG2 LYS 31 - HA LYS 26 far 0 51 0 - 6.5-13.6 HG3 LYS 19 - HA LYS 26 far 0 35 0 - 7.8-16.3 HG2 LYS 26 - HA LYS 36 far 0 63 0 - 8.1-13.8 HG3 LYS 24 - HA LYS 26 far 0 46 0 - 8.4-9.7 HG3 LYS 36 - HA LYS 31 far 0 56 0 - 9.3-10.6 HG3 LYS 86 - HA LYS 19 far 0 42 0 - 9.7-34.2 Violated in 0 structures by 0.00 A. Peak 979 from aliabs.peaks (1.66, 4.28, 56.59 ppm; 4.35 A): 7 out of 28 assignments used, quality = 1.00: * HD2 LYS 36 + HA LYS 36 OK 100 100 100 100 4.6-4.6 5.3=56, 1042/3.0=39...(29) HD3 LYS 31 + HA LYS 31 OK 55 55 100 99 1.9-4.8 5.2=58, ~6332=30...(32) HD2 LYS 31 + HA LYS 31 OK 53 54 100 99 2.0-4.7 5.2=58, ~6332=30...(32) HD2 LYS 19 + HA LYS 19 OK 47 48 100 99 3.5-4.4 5.2=60, ~6151=34...(42) HD3 LYS 26 + HA LYS 26 OK 40 51 80 99 2.0-5.3 5.0=67, ~6253=36...(34) HD2 LYS 26 + HA LYS 26 OK 38 51 75 99 2.0-5.1 5.0=67, ~6253=36...(34) HD3 LYS 19 + HA LYS 19 OK 29 46 65 99 3.8-5.0 5.2=60, ~6151=34...(41) HD3 LYS 26 - HA LYS 31 far 6 56 10 - 4.0-10.4 HD3 LYS 36 - HA LYS 36 far 5 100 5 - 4.9-5.2 HD3 LYS 31 - HA LYS 19 far 3 53 5 - 4.2-24.3 HD2 LYS 31 - HA LYS 19 far 0 52 0 - 5.1-24.1 HD2 LYS 26 - HA LYS 31 far 0 56 0 - 5.1-10.1 HD2 LYS 26 - HA LYS 36 far 0 100 0 - 5.9-11.4 HD3 LYS 26 - HA LYS 36 far 0 100 0 - 6.0-12.7 HD2 LYS 31 - HA LYS 26 far 0 49 0 - 6.5-14.6 HD2 LYS 24 - HA LYS 19 far 0 54 0 - 6.5-12.9 HD3 LYS 24 - HA LYS 19 far 0 50 0 - 6.6-13.2 HD3 LYS 24 - HA LYS 26 far 0 48 0 - 6.8-10.5 HD2 LYS 36 - HA LYS 31 far 0 56 0 - 7.5-8.1 HD3 LYS 31 - HA LYS 26 far 0 50 0 - 7.8-13.5 HD2 LYS 24 - HA LYS 26 far 0 51 0 - 7.8-10.9 HD3 LYS 19 - HA LYS 31 far 0 48 0 - 8.3-27.0 HD2 LYS 86 - HA LYS 19 far 0 52 0 - 8.6-32.1 HD2 LYS 19 - HA LYS 31 far 0 50 0 - 8.9-27.5 HD3 LYS 36 - HA LYS 31 far 0 56 0 - 9.1-9.5 HD3 LYS 86 - HA LYS 19 far 0 50 0 - 9.3-32.9 HD3 LYS 26 - HA LYS 19 far 0 54 0 - 9.7-20.2 HD3 LYS 19 - HA LYS 26 far 0 43 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 980 from aliabs.peaks (1.66, 4.28, 56.59 ppm; 4.35 A): 7 out of 28 assignments used, quality = 1.00: HD2 LYS 36 + HA LYS 36 OK 100 100 100 100 4.6-4.6 5.3=56, 1042/3.0=39...(29) HD3 LYS 31 + HA LYS 31 OK 55 56 100 99 1.9-4.8 5.2=58, ~6332=30...(32) HD2 LYS 31 + HA LYS 31 OK 54 55 100 99 2.0-4.7 5.2=58, ~6332=30...(32) HD2 LYS 19 + HA LYS 19 OK 48 49 100 99 3.5-4.4 5.2=60, ~6151=34...(42) HD3 LYS 26 + HA LYS 26 OK 40 51 80 99 2.0-5.3 5.0=67, ~6253=36...(34) HD2 LYS 26 + HA LYS 26 OK 38 51 75 99 2.0-5.1 5.0=67, ~6253=36...(34) HD3 LYS 19 + HA LYS 19 OK 30 47 65 99 3.8-5.0 5.2=60, ~6151=34...(41) HD3 LYS 26 - HA LYS 31 far 6 56 10 - 4.0-10.4 ! HD3 LYS 36 - HA LYS 36 far 5 100 5 - 4.9-5.2 HD3 LYS 31 - HA LYS 19 far 3 53 5 - 4.2-24.3 HD2 LYS 31 - HA LYS 19 far 0 52 0 - 5.1-24.1 HD2 LYS 26 - HA LYS 31 far 0 56 0 - 5.1-10.1 HD2 LYS 26 - HA LYS 36 far 0 100 0 - 5.9-11.4 HD3 LYS 26 - HA LYS 36 far 0 100 0 - 6.0-12.7 HD2 LYS 31 - HA LYS 26 far 0 49 0 - 6.5-14.6 HD2 LYS 24 - HA LYS 19 far 0 54 0 - 6.5-12.9 HD3 LYS 24 - HA LYS 19 far 0 51 0 - 6.6-13.2 HD3 LYS 24 - HA LYS 26 far 0 48 0 - 6.8-10.5 HD2 LYS 36 - HA LYS 31 far 0 56 0 - 7.5-8.1 HD3 LYS 31 - HA LYS 26 far 0 51 0 - 7.8-13.5 HD2 LYS 24 - HA LYS 26 far 0 51 0 - 7.8-10.9 HD3 LYS 19 - HA LYS 31 far 0 49 0 - 8.3-27.0 HD2 LYS 86 - HA LYS 19 far 0 53 0 - 8.6-32.1 HD2 LYS 19 - HA LYS 31 far 0 51 0 - 8.9-27.5 HD3 LYS 36 - HA LYS 31 far 0 56 0 - 9.1-9.5 HD3 LYS 86 - HA LYS 19 far 0 51 0 - 9.3-32.9 HD3 LYS 26 - HA LYS 19 far 0 54 0 - 9.7-20.2 HD3 LYS 19 - HA LYS 26 far 0 44 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 985 from aliabs.peaks (4.28, 1.82, 32.86 ppm; 3.57 A): 4 out of 43 assignments used, quality = 1.00: * HA LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.2-2.9 3.0=100 HA LYS 31 + HB3 LYS 31 OK 74 74 100 100 2.5-2.6 3.0=100 HA LYS 26 + HB3 LYS 26 OK 67 67 100 100 2.3-3.0 3.0=100 HA LYS 19 + HB3 LYS 19 OK 60 60 100 100 2.5-2.7 3.0=100 HA THR 25 - HB3 LYS 24 far 4 79 5 - 4.0-5.1 HA ARG 23 - HB3 LYS 31 far 0 83 0 - 4.2-18.0 HA LYS 26 - HB3 LYS 31 far 0 71 0 - 4.5-12.4 HA LYS 31 - HB3 LYS 26 far 0 71 0 - 4.5-10.2 HA ALA 21 - HB3 LYS 24 far 0 75 0 - 4.9-10.5 HA ARG 23 - HB3 LYS 24 far 0 79 0 - 5.0-6.4 HA THR 25 - HB3 LYS 26 far 0 79 0 - 5.0-5.9 HA LEU 22 - HB3 LYS 24 far 0 62 0 - 5.3-7.5 HA ARG 23 - HB3 LYS 19 far 0 66 0 - 5.5-10.2 HA LYS 19 - HB3 LYS 24 far 0 72 0 - 5.5-13.9 HA LYS 31 - HB3 LYS 19 far 0 58 0 - 5.6-24.7 HA LYS 19 - HB3 LYS 31 far 0 76 0 - 5.7-24.3 HA ALA 16 - HB3 LYS 19 far 0 65 0 - 5.7-10.7 HA SER 74 - HB3 LYS 19 far 0 67 0 - 5.9-33.4 HA THR 25 - HB3 LYS 19 far 0 66 0 - 6.3-15.9 HA ALA 12 - HB3 LYS 19 far 0 68 0 - 6.3-23.2 HA THR 18 - HB3 LYS 19 far 0 68 0 - 6.4-6.6 HA ALA 15 - HB3 LYS 19 far 0 67 0 - 6.5-13.8 HA LYS 26 - HB3 LYS 24 far 0 68 0 - 6.7-8.2 HA ALA 21 - HB3 LYS 19 far 0 62 0 - 7.2-8.0 HA SER 74 - HB3 LYS 24 far 0 80 0 - 7.3-23.2 HA LEU 22 - HB3 LYS 31 far 0 66 0 - 7.4-21.9 HA THR 25 - HB3 LYS 31 far 0 83 0 - 7.6-16.2 HA LEU 22 - HB3 LYS 19 far 0 51 0 - 7.6-9.6 HA LYS 26 - HB3 LYS 19 far 0 56 0 - 7.7-15.6 HA LYS 31 - HB2 LYS 36 far 0 93 0 - 7.8-9.5 HA ARG 23 - HB3 LYS 26 far 0 79 0 - 8.1-10.1 HA LEU 22 - HB3 LYS 26 far 0 62 0 - 8.2-13.9 HA TYR 76 - HB2 LYS 36 far 0 76 0 - 8.3-10.4 HA ALA 21 - HB3 LYS 31 far 0 78 0 - 8.4-23.5 HA LYS 36 - HB3 LYS 26 far 0 81 0 - 8.7-14.1 HA THR 25 - HB2 LYS 36 far 0 99 0 - 9.0-16.2 HA THR 18 - HB3 LYS 24 far 0 81 0 - 9.0-14.7 HA ALA 12 - HB3 LYS 31 far 0 85 0 - 9.4-38.7 HA LYS 26 - HB2 LYS 36 far 0 90 0 - 9.4-16.2 HA THR 18 - HB3 LYS 31 far 0 84 0 - 9.5-26.0 HA ALA 16 - HB3 LYS 31 far 0 81 0 - 9.6-28.5 HA TYR 76 - HB3 LYS 19 far 0 44 0 - 9.6-31.8 HA PHE 87 - HB3 LYS 19 far 0 58 0 - 9.8-38.8 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 3 assignments used, quality = 1.00: * HB3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 90 - HB3 LYS 19 far 0 34 0 - 8.2-38.1 HB3 LYS 36 - HB3 LYS 26 far 0 81 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 988 from aliabs.peaks (1.38, 1.82, 32.86 ppm; 3.68 A): 5 out of 31 assignments used, quality = 1.00: * HG2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.7-2.9 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 2.5-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 80 80 100 100 2.4-3.0 2.9=100 HG2 LYS 19 + HB3 LYS 19 OK 63 63 100 100 2.7-2.8 3.0=100 QB ALA 28 - HB3 LYS 26 far 12 80 15 - 3.7-6.5 QB ALA 29 - HB3 LYS 26 far 8 81 10 - 4.0-7.6 HG3 LYS 31 - HB3 LYS 19 far 0 67 0 - 4.5-24.5 QB ALA 29 - HB2 LYS 36 far 0 100 0 - 5.0-8.1 HG3 LYS 31 - HB3 LYS 26 far 0 80 0 - 5.1-11.5 QB ALA 15 - HB3 LYS 19 far 0 68 0 - 5.1-12.8 HG3 LYS 26 - HB3 LYS 31 far 0 85 0 - 5.2-13.1 HG2 LYS 24 - HB3 LYS 19 far 0 67 0 - 5.9-12.2 QB ALA 12 - HB3 LYS 31 far 0 62 0 - 6.1-32.3 QB ALA 28 - HB3 LYS 31 far 0 84 0 - 6.3-7.6 QB ALA 28 - HB3 LYS 24 far 0 80 0 - 6.4-12.7 QB ALA 16 - HB3 LYS 31 far 0 78 0 - 6.4-24.2 QB ALA 16 - HB3 LYS 19 far 0 62 0 - 6.6-10.0 HG2 LYS 19 - HB3 LYS 31 far 0 79 0 - 6.7-24.1 QB ALA 12 - HB3 LYS 19 far 0 48 0 - 6.9-20.3 QB ALA 29 - HB3 LYS 31 far 0 85 0 - 7.0-7.7 HG3 LYS 31 - HB2 LYS 36 far 0 100 0 - 7.5-12.4 HG3 LYS 26 - HB3 LYS 24 far 0 81 0 - 7.5-8.6 HG2 LYS 24 - HB3 LYS 31 far 0 84 0 - 7.8-20.3 QB ALA 29 - HB3 LYS 24 far 0 81 0 - 7.8-14.9 HG3 LYS 26 - HB3 LYS 19 far 0 68 0 - 7.9-18.0 HG2 LYS 19 - HB3 LYS 24 far 0 76 0 - 8.1-14.8 HG3 LYS 26 - HB2 LYS 36 far 0 100 0 - 8.6-13.7 HG3 LYS 31 - HB3 LYS 24 far 0 80 0 - 8.9-20.1 QB ALA 12 - HB2 LYS 36 far 0 81 0 - 9.6-35.7 QB ALA 28 - HB2 LYS 36 far 0 100 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 989 from aliabs.peaks (1.46, 1.82, 32.86 ppm; 3.94 A): 5 out of 19 assignments used, quality = 1.00: * HG3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.2-2.9 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 85 85 100 100 2.3-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 75 75 100 100 2.4-2.7 2.9=100 HG3 LYS 19 + HB3 LYS 19 OK 48 48 100 100 2.2-2.2 3.0=100 HG2 LYS 26 + HB3 LYS 26 OK 44 44 100 100 2.3-3.0 3.0=100 HG2 LYS 26 - HB3 LYS 31 far 5 47 10 - 3.5-12.8 HG2 LYS 31 - HB3 LYS 26 far 0 81 0 - 5.1-12.2 HG2 LYS 31 - HB3 LYS 19 far 0 68 0 - 5.6-22.9 HG3 LYS 24 - HB3 LYS 19 far 0 62 0 - 5.6-13.8 HG3 LYS 19 - HB3 LYS 31 far 0 62 0 - 6.3-24.1 HG2 LYS 26 - HB3 LYS 24 far 0 44 0 - 7.5-10.2 HG3 LYS 19 - HB3 LYS 24 far 0 59 0 - 7.9-15.5 HG3 LYS 86 - HB3 LYS 19 far 0 54 0 - 8.1-35.0 HG2 LYS 26 - HB2 LYS 36 far 0 63 0 - 8.3-12.6 HG3 LYS 24 - HB3 LYS 31 far 0 78 0 - 8.8-21.0 HG2 LYS 31 - HB2 LYS 36 far 0 100 0 - 9.0-11.1 HG2 LYS 31 - HB3 LYS 24 far 0 81 0 - 9.1-21.2 HG2 LYS 26 - HB3 LYS 19 far 0 35 0 - 9.5-18.7 HG3 LYS 19 - HB3 LYS 26 far 0 58 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 990 from aliabs.peaks (1.66, 1.82, 32.86 ppm; 4.62 A): 10 out of 36 assignments used, quality = 1.00: * HD2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-3.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 3.0-4.0 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 84 84 100 100 2.1-4.1 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 82 82 100 100 2.0-3.8 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 81 81 100 100 2.5-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 81 81 100 100 2.0-3.3 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 80 80 100 100 2.0-3.2 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 77 77 100 100 2.1-3.7 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 61 61 100 100 3.5-4.1 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 58 58 100 100 3.3-4.2 3.9=100 HD3 LYS 26 - HB3 LYS 31 far 8 85 10 - 3.5-10.7 HD2 LYS 26 - HB3 LYS 31 far 8 84 10 - 4.7-11.2 HD3 LYS 31 - HB3 LYS 19 far 3 67 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 19 far 3 66 5 - 3.4-23.3 HD2 LYS 31 - HB3 LYS 26 far 0 78 0 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 100 0 - 6.1-12.6 HD2 LYS 26 - HB2 LYS 36 far 0 100 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 64 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 68 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 66 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 80 0 - 6.8-12.2 HD3 LYS 86 - HB3 LYS 19 far 0 64 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 74 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 100 0 - 8.1-12.5 HD2 LYS 31 - HB2 LYS 36 far 0 99 0 - 8.3-12.3 HD2 LYS 19 - HB3 LYS 31 far 0 77 0 - 8.4-26.6 HD3 LYS 26 - HB3 LYS 24 far 0 81 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 73 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 81 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 85 0 - 9.3-10.5 HD3 LYS 24 - HB3 LYS 26 far 0 77 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 68 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 68 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 81 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 71 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 85 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 991 from aliabs.peaks (1.66, 1.82, 32.86 ppm; 4.62 A): 10 out of 36 assignments used, quality = 1.00: HD2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-3.2 3.5=100 * HD3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 3.0-4.0 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 84 84 100 100 2.1-4.1 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 83 83 100 100 2.0-3.8 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 81 81 100 100 2.5-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 81 81 100 100 2.0-3.3 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 81 81 100 100 2.0-3.2 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 78 78 100 100 2.1-3.7 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 62 62 100 100 3.5-4.1 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 60 60 100 100 3.3-4.2 3.9=100 HD2 LYS 26 - HB3 LYS 31 far 13 85 15 - 4.7-11.2 HD3 LYS 26 - HB3 LYS 31 far 8 85 10 - 3.5-10.7 HD3 LYS 31 - HB3 LYS 19 far 3 68 5 - 3.0-23.2 HD2 LYS 31 - HB3 LYS 19 far 3 66 5 - 3.4-23.3 HD2 LYS 31 - HB3 LYS 26 far 0 79 0 - 5.9-12.3 HD3 LYS 26 - HB2 LYS 36 far 0 100 0 - 6.1-12.6 HD2 LYS 26 - HB2 LYS 36 far 0 100 0 - 6.3-11.2 HD3 LYS 24 - HB3 LYS 19 far 0 65 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 68 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 67 0 - 6.8-32.9 HD3 LYS 31 - HB3 LYS 26 far 0 80 0 - 6.8-12.2 HD3 LYS 86 - HB3 LYS 19 far 0 65 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 76 0 - 8.1-26.2 HD3 LYS 31 - HB2 LYS 36 far 0 100 0 - 8.1-12.5 HD2 LYS 31 - HB2 LYS 36 far 0 99 0 - 8.3-12.3 HD2 LYS 19 - HB3 LYS 31 far 0 78 0 - 8.4-26.6 HD3 LYS 26 - HB3 LYS 24 far 0 81 0 - 8.7-11.3 HD2 LYS 19 - HB3 LYS 24 far 0 75 0 - 8.8-16.9 HD2 LYS 26 - HB3 LYS 24 far 0 81 0 - 8.8-11.0 HD2 LYS 36 - HB3 LYS 31 far 0 85 0 - 9.3-10.5 HD3 LYS 24 - HB3 LYS 26 far 0 78 0 - 9.4-12.6 HD3 LYS 26 - HB3 LYS 19 far 0 68 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 68 0 - 9.5-19.2 HD2 LYS 36 - HB3 LYS 26 far 0 81 0 - 9.7-12.7 HD3 LYS 19 - HB3 LYS 24 far 0 72 0 - 9.8-17.0 HD2 LYS 24 - HB3 LYS 31 far 0 85 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 992 from aliabs.peaks (2.96, 1.82, 32.86 ppm; 6.23 A): 10 out of 34 assignments used, quality = 1.00: HE3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.8-4.2 4.9=100 * HE2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 3.5-4.5 4.9=100 HE2 LYS 31 + HB3 LYS 31 OK 85 85 100 100 2.0-5.3 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 82 82 100 100 2.2-5.0 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 81 81 100 100 3.6-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 81 81 100 100 3.7-4.6 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 79 79 100 100 2.0-5.0 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 72 72 100 100 2.4-4.6 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 67 67 100 100 3.2-5.4 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 67 67 100 100 3.3-5.4 5.1=100 HE2 LYS 26 - HB3 LYS 31 far 8 85 10 - 6.3-12.4 HE3 LYS 26 - HB3 LYS 31 far 8 85 10 - 6.0-13.3 HE2 LYS 26 - HB2 LYS 36 far 5 100 5 - 5.4-11.8 HE2 LYS 31 - HB3 LYS 26 far 4 81 5 - 6.8-14.2 HE3 LYS 31 - HB3 LYS 26 far 4 78 5 - 6.5-14.0 HE2 LYS 31 - HB3 LYS 19 far 3 68 5 - 5.6-25.7 HE3 LYS 31 - HB3 LYS 19 far 3 66 5 - 4.9-25.2 HE2 LYS 24 - HB3 LYS 19 far 3 66 5 - 6.7-14.4 HE3 LYS 24 - HB3 LYS 19 far 3 60 5 - 5.6-14.9 HE3 LYS 86 - HB3 LYS 19 far 0 67 0 - 6.9-34.7 HE3 LYS 26 - HB2 LYS 36 far 0 100 0 - 7.1-12.9 HE3 LYS 26 - HB3 LYS 19 far 0 68 0 - 7.3-19.5 HE3 LYS 26 - HB3 LYS 24 far 0 81 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 100 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 68 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 84 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 84 0 - 8.2-25.8 HE2 LYS 26 - HB3 LYS 24 far 0 81 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 99 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 80 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 85 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 80 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 82 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 85 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 993 from aliabs.peaks (2.96, 1.82, 32.86 ppm; 6.23 A): 10 out of 34 assignments used, quality = 1.00: * HE3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.8-4.2 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 3.5-4.5 4.9=100 HE2 LYS 31 + HB3 LYS 31 OK 85 85 100 100 2.0-5.3 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 82 82 100 100 2.2-5.0 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 81 81 100 100 3.6-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 81 81 100 100 3.7-4.6 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 79 79 100 100 2.0-5.0 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 72 72 100 100 2.4-4.6 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 67 67 100 100 3.2-5.4 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 67 67 100 100 3.3-5.4 5.1=100 HE2 LYS 26 - HB3 LYS 31 far 8 85 10 - 6.3-12.4 HE3 LYS 26 - HB3 LYS 31 far 8 85 10 - 6.0-13.3 HE2 LYS 26 - HB2 LYS 36 far 5 100 5 - 5.4-11.8 HE2 LYS 31 - HB3 LYS 26 far 4 81 5 - 6.8-14.2 HE3 LYS 31 - HB3 LYS 26 far 4 78 5 - 6.5-14.0 HE2 LYS 31 - HB3 LYS 19 far 3 68 5 - 5.6-25.7 HE3 LYS 31 - HB3 LYS 19 far 3 66 5 - 4.9-25.2 HE2 LYS 24 - HB3 LYS 19 far 3 66 5 - 6.7-14.4 HE3 LYS 24 - HB3 LYS 19 far 3 60 5 - 5.6-14.9 HE3 LYS 86 - HB3 LYS 19 far 0 67 0 - 6.9-34.7 HE3 LYS 26 - HB2 LYS 36 far 0 100 0 - 7.1-12.9 HE3 LYS 26 - HB3 LYS 19 far 0 68 0 - 7.3-19.5 HE3 LYS 26 - HB3 LYS 24 far 0 81 0 - 7.5-10.1 HE2 LYS 31 - HB2 LYS 36 far 0 100 0 - 7.8-13.6 HE2 LYS 26 - HB3 LYS 19 far 0 68 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 84 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 84 0 - 8.2-25.8 HE2 LYS 26 - HB3 LYS 24 far 0 81 0 - 8.3-11.3 HE3 LYS 31 - HB2 LYS 36 far 0 99 0 - 8.5-13.7 HE3 LYS 19 - HB3 LYS 24 far 0 80 0 - 8.8-18.1 HE3 LYS 36 - HB3 LYS 31 far 0 85 0 - 9.2-12.0 HE2 LYS 19 - HB3 LYS 24 far 0 80 0 - 9.2-17.7 HE2 LYS 24 - HB3 LYS 31 far 0 82 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 85 0 - 9.4-12.3 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 4 assignments used, quality = 1.00: * HA LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.2-2.9 3.0=100 HA LYS 31 - HB3 LYS 36 far 0 93 0 - 8.0-9.7 HA TYR 76 - HB3 LYS 36 far 0 76 0 - 8.4-10.7 HA THR 25 - HB3 LYS 36 far 0 99 0 - 9.6-16.7 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 4 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 far 0 99 0 - 5.5-6.8 HB3 LYS 26 - HB3 LYS 36 far 0 100 0 - 9.0-13.2 HB2 CYS 79 - HB3 LYS 36 far 0 95 0 - 9.1-11.8 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 5 assignments used, quality = 1.00: * HG2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.7-2.9 3.0=100 QB ALA 29 - HB3 LYS 36 far 0 100 0 - 4.6-8.3 HG3 LYS 31 - HB3 LYS 36 far 0 100 0 - 8.2-12.2 HG3 LYS 26 - HB3 LYS 36 far 0 100 0 - 8.3-13.1 QB ALA 28 - HB3 LYS 36 far 0 100 0 - 9.7-11.7 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 3 assignments used, quality = 1.00: * HG3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.2-2.9 3.0=100 HG2 LYS 26 - HB3 LYS 36 far 0 63 0 - 8.2-12.7 HG2 LYS 31 - HB3 LYS 36 far 0 100 0 - 9.0-12.1 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 6 assignments used, quality = 1.00: * HD2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.0-3.1 3.5=100 HD3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.3-4.0 3.5=100 HD3 LYS 26 - HB3 LYS 36 far 0 100 0 - 6.0-12.2 HD2 LYS 26 - HB3 LYS 36 far 0 100 0 - 6.5-10.6 HD3 LYS 31 - HB3 LYS 36 far 0 100 0 - 8.9-13.7 HD2 LYS 31 - HB3 LYS 36 far 0 99 0 - 8.9-13.1 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 6 assignments used, quality = 1.00: HD2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.0-3.1 3.5=100 * HD3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.3-4.0 3.5=100 HD3 LYS 26 - HB3 LYS 36 far 0 100 0 - 6.0-12.2 HD2 LYS 26 - HB3 LYS 36 far 0 100 0 - 6.5-10.6 HD3 LYS 31 - HB3 LYS 36 far 0 100 0 - 8.9-13.7 HD2 LYS 31 - HB3 LYS 36 far 0 99 0 - 8.9-13.1 Violated in 0 structures by 0.00 A. Peak 1003 from aliabs.peaks (2.96, 1.88, 32.86 ppm; 5.42 A): 2 out of 6 assignments used, quality = 1.00: HE3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.1-4.7 4.9=100 * HE2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.2-4.8 4.9=100 HE2 LYS 26 - HB3 LYS 36 far 5 100 5 - 5.0-10.9 HE3 LYS 26 - HB3 LYS 36 far 0 100 0 - 6.7-12.5 HE2 LYS 31 - HB3 LYS 36 far 0 100 0 - 8.5-14.0 HE3 LYS 31 - HB3 LYS 36 far 0 99 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 1004 from aliabs.peaks (2.96, 1.88, 32.86 ppm; 5.42 A): 2 out of 6 assignments used, quality = 1.00: * HE3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.1-4.7 4.9=100 HE2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 3.2-4.8 4.9=100 HE2 LYS 26 - HB3 LYS 36 far 5 100 5 - 5.0-10.9 HE3 LYS 26 - HB3 LYS 36 far 0 100 0 - 6.7-12.5 HE2 LYS 31 - HB3 LYS 36 far 0 100 0 - 8.5-14.0 HE3 LYS 31 - HB3 LYS 36 far 0 99 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 1007 from aliabs.peaks (4.28, 1.38, 24.92 ppm; 5.83 A): 9 out of 42 assignments used, quality = 1.00: * HA LYS 36 + HG2 LYS 36 OK 100 100 100 100 3.1-3.3 4.1=100 HA ARG 23 + HG2 LYS 24 OK 71 72 100 99 4.1-5.3 424/6222=98, 2.9/832=30...(14) HA THR 25 + HG3 LYS 26 OK 58 58 100 100 3.1-4.0 11150=99, 582/6253=99...(11) HA LYS 31 + HG3 LYS 31 OK 56 56 100 100 2.2-3.7 3.8=100 HA LEU 22 + HG2 LYS 24 OK 50 56 100 90 2.7-6.3 2.9/1309=36...(13) HA THR 18 + HG2 LYS 19 OK 50 50 100 100 4.7-5.2 3.6/6151=90...(17) HA LYS 26 + HG3 LYS 26 OK 49 49 100 100 2.6-3.7 4.0=100 HA LYS 19 + HG2 LYS 19 OK 44 44 100 100 3.5-3.6 4.2=100 HA THR 25 + HG2 LYS 24 OK 43 72 60 100 6.3-6.5 3.0/6234=95, ~6233=68...(20) HA ALA 16 - HG2 LYS 19 poor 12 48 25 - 3.4-8.5 HA LYS 19 - HG2 LYS 24 far 7 65 10 - 4.8-11.2 HA ALA 21 - HG2 LYS 19 far 5 45 10 - 6.3-6.9 HA ALA 21 - HG2 LYS 24 poor 4 67 30 21 3.3-8.9 3.6/842=18, 6202/832=2 HA ARG 23 - HG3 LYS 31 far 3 63 5 - 3.3-17.9 HA ALA 21 - HG3 LYS 31 far 3 59 5 - 6.0-24.0 HA LYS 19 - HG3 LYS 31 far 3 57 5 - 4.8-25.5 HA ALA 15 - HG2 LYS 19 far 2 49 5 - 5.5-11.6 HA LEU 22 - HG3 LYS 31 far 2 48 5 - 6.0-22.9 HA LYS 31 - HG3 LYS 26 far 0 51 0 - 6.6-12.4 HA SER 74 - HG2 LYS 19 far 0 50 0 - 6.7-33.1 HA LYS 26 - HG3 LYS 31 far 0 53 0 - 6.8-12.7 HA ARG 23 - HG2 LYS 19 far 0 49 0 - 6.8-10.5 HA ARG 23 - HG3 LYS 26 far 0 58 0 - 6.9-9.9 HA ALA 12 - HG3 LYS 31 far 0 65 0 - 6.9-38.6 HA LYS 31 - HG2 LYS 19 far 0 43 0 - 6.9-25.0 HA ALA 12 - HG2 LYS 19 far 0 50 0 - 7.0-21.6 HA LEU 22 - HG3 LYS 26 far 0 45 0 - 7.5-13.1 HA THR 18 - HG2 LYS 24 far 0 73 0 - 7.5-12.7 HA TYR 76 - HG2 LYS 36 far 0 76 0 - 7.6-8.7 HA THR 18 - HG3 LYS 31 far 0 64 0 - 7.6-27.1 HA LYS 36 - HG3 LYS 26 far 0 60 0 - 7.8-13.9 HA LEU 22 - HG2 LYS 19 far 0 37 0 - 7.9-9.4 HA LYS 26 - HG2 LYS 24 far 0 61 0 - 8.0-9.2 HA THR 25 - HG2 LYS 19 far 0 49 0 - 8.7-15.3 HA PHE 87 - HG2 LYS 19 far 0 43 0 - 8.7-38.9 HA ALA 21 - HG3 LYS 26 far 0 54 0 - 8.9-15.7 HA LYS 26 - HG2 LYS 19 far 0 40 0 - 8.9-15.8 HA THR 25 - HG3 LYS 31 far 0 63 0 - 9.2-16.6 HA THR 18 - HG3 LYS 26 far 0 60 0 - 9.4-18.6 HA ALA 16 - HG3 LYS 31 far 0 62 0 - 9.4-28.3 HA LYS 31 - HG2 LYS 24 far 0 64 0 - 9.5-19.9 HA LYS 19 - HG3 LYS 26 far 0 52 0 - 9.9-17.8 Violated in 0 structures by 0.00 A. Peak 1008 from aliabs.peaks (1.82, 1.38, 24.92 ppm; 5.20 A): 5 out of 30 assignments used, quality = 1.00: * HB2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.7-2.9 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 73 73 100 100 2.4-3.0 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 2.5-3.0 3.0=100 HB3 LYS 19 + HG2 LYS 19 OK 46 46 100 100 2.7-2.8 3.0=100 HB3 ARG 23 - HG2 LYS 24 poor 18 74 25 - 4.5-6.6 HB3 ARG 23 - HG3 LYS 26 far 6 60 10 - 5.2-11.9 HB3 LYS 31 - HG3 LYS 26 far 6 59 10 - 5.2-13.1 HB3 ARG 23 - HG3 LYS 31 far 3 65 5 - 5.0-20.1 HB3 LYS 26 - HG3 LYS 31 far 3 65 5 - 5.1-11.5 HB3 LYS 19 - HG3 LYS 31 far 3 60 5 - 4.5-24.5 HB ILE 32 - HG3 LYS 26 far 3 58 5 - 5.4-7.7 HB3 LYS 19 - HG2 LYS 24 far 0 69 0 - 5.9-12.2 HB ILE 32 - HG3 LYS 31 far 0 63 0 - 6.3-8.2 HB3 LYS 31 - HG2 LYS 19 far 0 49 0 - 6.7-24.1 HB3 ARG 23 - HG2 LYS 19 far 0 50 0 - 7.0-10.5 HB2 LYS 36 - HG3 LYS 31 far 0 65 0 - 7.5-12.4 HB3 LYS 24 - HG3 LYS 26 far 0 60 0 - 7.5-8.6 HB ILE 32 - HG2 LYS 36 far 0 99 0 - 7.6-8.8 HB3 LYS 31 - HG2 LYS 24 far 0 72 0 - 7.8-20.3 HB3 LYS 19 - HG3 LYS 26 far 0 55 0 - 7.9-18.0 HB3 LYS 24 - HG2 LYS 19 far 0 50 0 - 8.1-14.8 HB2 LYS 36 - HG3 LYS 26 far 0 60 0 - 8.6-13.7 HB2 LYS 86 - HG2 LYS 19 far 0 32 0 - 8.6-36.4 HB2 CYS 79 - HG2 LYS 36 far 0 95 0 - 8.7-10.3 HB3 LYS 24 - HG3 LYS 31 far 0 64 0 - 8.9-20.1 HB2 CYS 79 - HG2 LYS 19 far 0 44 0 - 9.5-31.5 HB2 CYS 79 - HG3 LYS 26 far 0 52 0 - 9.7-15.8 HB2 CYS 79 - HG2 LYS 24 far 0 65 0 - 9.7-23.7 HB VAL 93 - HG2 LYS 19 far 0 45 0 - 9.8-38.5 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 4 assignments used, quality = 1.00: * HB3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.7-2.9 3.0=100 HB2 ARG 90 - HG2 LYS 19 far 0 24 0 - 7.3-38.0 HB3 LYS 36 - HG3 LYS 31 far 0 65 0 - 8.2-12.2 HB3 LYS 36 - HG3 LYS 26 far 0 60 0 - 8.3-13.1 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 19 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 26 - HG3 LYS 31 far 0 34 0 - 4.7-13.7 HG3 LYS 19 - HG3 LYS 31 far 0 45 0 - 5.7-24.8 HG2 LYS 31 - HG3 LYS 26 far 0 60 0 - 5.9-14.2 HG2 LYS 31 - HG2 LYS 19 far 0 50 0 - 6.2-23.2 HG2 LYS 31 - HG2 LYS 24 far 0 74 0 - 7.5-21.3 HG3 LYS 24 - HG2 LYS 19 far 0 45 0 - 7.6-13.9 HG3 LYS 24 - HG3 LYS 31 far 0 59 0 - 7.7-21.4 HG3 LYS 19 - HG2 LYS 24 far 0 52 0 - 8.0-13.2 HG3 LYS 19 - HG3 LYS 26 far 0 42 0 - 8.4-18.3 HG3 LYS 36 - HG3 LYS 31 far 0 65 0 - 8.7-13.1 HG3 LYS 86 - HG2 LYS 19 far 0 39 0 - 8.9-35.4 HG2 LYS 26 - HG2 LYS 24 far 0 39 0 - 9.0-11.7 HG3 LYS 24 - HG3 LYS 26 far 0 54 0 - 9.1-10.6 HG LEU 42 - HG2 LYS 36 far 0 63 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 1012 from aliabs.peaks (1.66, 1.38, 24.92 ppm; 4.85 A): 10 out of 37 assignments used, quality = 1.00: HD3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-2.3 3.0=100 * HD2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.7-2.9 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 2.4-3.0 3.0=100 HD3 LYS 31 + HG3 LYS 31 OK 64 64 100 100 2.2-3.0 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 2.6-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HG2 LYS 19 OK 44 44 100 100 2.2-2.7 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 43 43 100 100 2.3-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 6 65 10 - 4.1-12.0 HD2 LYS 26 - HG3 LYS 31 far 3 64 5 - 5.4-12.2 HD3 LYS 31 - HG2 LYS 19 far 2 50 5 - 3.6-23.8 HD2 LYS 31 - HG2 LYS 19 far 2 48 5 - 4.9-23.9 HD2 LYS 36 - HG3 LYS 31 far 0 65 0 - 6.6-10.5 HD3 LYS 31 - HG3 LYS 26 far 0 59 0 - 6.8-14.4 HD2 LYS 31 - HG3 LYS 26 far 0 58 0 - 6.9-14.3 HD2 LYS 19 - HG3 LYS 31 far 0 58 0 - 7.5-27.4 HD3 LYS 24 - HG2 LYS 19 far 0 47 0 - 7.5-14.7 HD3 LYS 19 - HG3 LYS 31 far 0 56 0 - 7.7-26.9 HD2 LYS 86 - HG2 LYS 19 far 0 49 0 - 7.8-33.2 HD3 LYS 36 - HG3 LYS 31 far 0 65 0 - 7.9-11.7 HD3 LYS 86 - HG2 LYS 19 far 0 47 0 - 8.2-34.2 HD2 LYS 24 - HG2 LYS 19 far 0 50 0 - 8.4-14.5 HD2 LYS 19 - HG2 LYS 24 far 0 66 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 100 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 100 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 56 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 73 0 - 9.0-21.0 HD2 LYS 36 - HG3 LYS 26 far 0 60 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 74 0 - 9.3-12.6 HD2 LYS 24 - HG3 LYS 31 far 0 65 0 - 9.3-22.5 HD2 LYS 31 - HG2 LYS 24 far 0 71 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 64 0 - 9.5-14.5 HD3 LYS 24 - HG3 LYS 31 far 0 61 0 - 9.8-21.7 HD3 LYS 26 - HG2 LYS 19 far 0 50 0 - 9.8-19.7 HD2 LYS 24 - HG3 LYS 26 far 0 60 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 1013 from aliabs.peaks (1.66, 1.38, 24.92 ppm; 4.86 A): 10 out of 37 assignments used, quality = 1.00: * HD3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-2.3 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.7-2.9 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 2.4-3.0 3.0=100 HD3 LYS 31 + HG3 LYS 31 OK 64 64 100 100 2.2-3.0 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 2.6-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HG2 LYS 19 OK 45 45 100 100 2.2-2.7 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 44 44 100 100 2.3-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 31 far 6 65 10 - 4.1-12.0 HD2 LYS 26 - HG3 LYS 31 far 3 65 5 - 5.4-12.2 HD3 LYS 31 - HG2 LYS 19 far 2 50 5 - 3.6-23.8 HD2 LYS 31 - HG2 LYS 19 far 2 49 5 - 4.9-23.9 HD2 LYS 36 - HG3 LYS 31 far 0 65 0 - 6.6-10.5 HD3 LYS 31 - HG3 LYS 26 far 0 60 0 - 6.8-14.4 HD2 LYS 31 - HG3 LYS 26 far 0 58 0 - 6.9-14.3 HD2 LYS 19 - HG3 LYS 31 far 0 59 0 - 7.5-27.4 HD3 LYS 24 - HG2 LYS 19 far 0 48 0 - 7.5-14.7 HD3 LYS 19 - HG3 LYS 31 far 0 57 0 - 7.7-26.9 HD2 LYS 86 - HG2 LYS 19 far 0 49 0 - 7.8-33.2 HD3 LYS 36 - HG3 LYS 31 far 0 65 0 - 7.9-11.7 HD3 LYS 86 - HG2 LYS 19 far 0 48 0 - 8.2-34.2 HD2 LYS 24 - HG2 LYS 19 far 0 50 0 - 8.4-14.5 HD2 LYS 19 - HG2 LYS 24 far 0 67 0 - 8.5-14.3 HD3 LYS 26 - HG2 LYS 36 far 0 100 0 - 8.5-13.9 HD2 LYS 26 - HG2 LYS 36 far 0 100 0 - 8.6-12.2 HD3 LYS 24 - HG3 LYS 26 far 0 57 0 - 9.0-10.8 HD3 LYS 31 - HG2 LYS 24 far 0 73 0 - 9.0-21.0 HD2 LYS 36 - HG3 LYS 26 far 0 60 0 - 9.1-12.8 HD3 LYS 26 - HG2 LYS 24 far 0 74 0 - 9.3-12.6 HD2 LYS 24 - HG3 LYS 31 far 0 65 0 - 9.3-22.5 HD2 LYS 31 - HG2 LYS 24 far 0 72 0 - 9.5-22.2 HD3 LYS 19 - HG2 LYS 24 far 0 65 0 - 9.5-14.5 HD3 LYS 24 - HG3 LYS 31 far 0 62 0 - 9.8-21.7 HD3 LYS 26 - HG2 LYS 19 far 0 50 0 - 9.8-19.7 HD2 LYS 24 - HG3 LYS 26 far 0 60 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 1014 from aliabs.peaks (2.96, 1.38, 24.92 ppm; 6.80 A): 10 out of 41 assignments used, quality = 1.00: HE3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 3.1-4.2 4.0=100 * HE2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 3.1-4.1 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 71 71 100 100 2.1-4.1 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 65 65 100 100 2.0-4.2 4.0=100 HE2 LYS 31 + HG3 LYS 31 OK 65 65 100 100 2.1-4.2 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 62 62 100 100 2.0-4.0 3.7=100 HE2 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.3-3.8 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.0-3.4 3.6=100 HE3 LYS 19 + HG2 LYS 19 OK 50 50 100 100 2.1-4.1 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 50 50 100 100 2.8-3.7 3.8=100 HE2 LYS 26 - HG3 LYS 31 far 10 65 15 - 6.1-13.8 HE3 LYS 26 - HG3 LYS 31 far 10 65 15 - 6.1-14.7 HE2 LYS 26 - HG2 LYS 36 far 5 100 5 - 7.3-12.6 HE3 LYS 36 - HG3 LYS 31 far 3 65 5 - 6.3-11.5 HE2 LYS 36 - HG3 LYS 31 far 3 65 5 - 6.5-12.0 HE2 LYS 31 - HG2 LYS 19 far 3 50 5 - 6.1-26.2 HE3 LYS 86 - HG2 LYS 19 far 2 49 5 - 6.8-34.9 HE3 LYS 31 - HG2 LYS 19 far 2 48 5 - 4.6-26.0 HE3 LYS 24 - HG2 LYS 19 far 2 44 5 - 6.5-14.6 HE3 LYS 19 - HG3 LYS 31 far 0 64 0 - 7.7-28.1 HE2 LYS 24 - HG2 LYS 19 far 0 48 0 - 8.0-15.1 HE2 LYS 24 - HG3 LYS 31 far 0 62 0 - 8.1-23.8 HE2 LYS 31 - HG3 LYS 26 far 0 60 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 58 0 - 8.6-15.9 HE2 LYS 19 - HG3 LYS 31 far 0 64 0 - 8.6-26.5 HE3 LYS 26 - HG2 LYS 24 far 0 74 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 19 far 0 50 0 - 8.8-19.2 HE3 LYS 26 - HG2 LYS 36 far 0 100 0 - 8.9-13.8 HE2 LYS 26 - HG2 LYS 19 far 0 50 0 - 9.0-20.5 HE2 LYS 19 - HG3 LYS 26 far 0 59 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 73 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 71 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 100 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 74 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 73 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 59 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 60 0 - 9.8-15.3 HE3 LYS 24 - HG3 LYS 31 far 0 57 0 - 9.8-23.3 HE2 LYS 26 - HG2 LYS 24 far 0 74 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 58 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 71 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 1015 from aliabs.peaks (2.96, 1.38, 24.92 ppm; 6.80 A): 10 out of 41 assignments used, quality = 1.00: * HE3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 3.1-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 3.1-4.1 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 71 71 100 100 2.1-4.1 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 65 65 100 100 2.0-4.2 4.0=100 HE2 LYS 31 + HG3 LYS 31 OK 65 65 100 100 2.1-4.2 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 62 62 100 100 2.0-4.0 3.7=100 HE2 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.3-3.8 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.0-3.4 3.6=100 HE3 LYS 19 + HG2 LYS 19 OK 50 50 100 100 2.1-4.1 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 50 50 100 100 2.8-3.7 3.8=100 HE2 LYS 26 - HG3 LYS 31 far 10 65 15 - 6.1-13.8 HE3 LYS 26 - HG3 LYS 31 far 10 65 15 - 6.1-14.7 HE2 LYS 26 - HG2 LYS 36 far 5 100 5 - 7.3-12.6 HE3 LYS 36 - HG3 LYS 31 far 3 65 5 - 6.3-11.5 HE2 LYS 36 - HG3 LYS 31 far 3 65 5 - 6.5-12.0 HE2 LYS 31 - HG2 LYS 19 far 3 50 5 - 6.1-26.2 HE3 LYS 86 - HG2 LYS 19 far 2 49 5 - 6.8-34.9 HE3 LYS 31 - HG2 LYS 19 far 2 48 5 - 4.6-26.0 HE3 LYS 24 - HG2 LYS 19 far 2 44 5 - 6.5-14.6 HE3 LYS 19 - HG3 LYS 31 far 0 64 0 - 7.7-28.1 HE2 LYS 24 - HG2 LYS 19 far 0 48 0 - 8.0-15.1 HE2 LYS 24 - HG3 LYS 31 far 0 62 0 - 8.1-23.8 HE2 LYS 31 - HG3 LYS 26 far 0 60 0 - 8.2-16.1 HE3 LYS 31 - HG3 LYS 26 far 0 58 0 - 8.6-15.9 HE2 LYS 19 - HG3 LYS 31 far 0 64 0 - 8.6-26.5 HE3 LYS 26 - HG2 LYS 24 far 0 74 0 - 8.7-11.5 HE3 LYS 26 - HG2 LYS 19 far 0 50 0 - 8.8-19.2 HE3 LYS 26 - HG2 LYS 36 far 0 100 0 - 8.9-13.8 HE2 LYS 26 - HG2 LYS 19 far 0 50 0 - 9.0-20.5 HE2 LYS 19 - HG3 LYS 26 far 0 59 0 - 9.1-20.4 HE3 LYS 19 - HG2 LYS 24 far 0 73 0 - 9.3-15.5 HB2 CYS 45 - HG2 LYS 36 far 0 71 0 - 9.5-11.5 HE2 LYS 31 - HG2 LYS 36 far 0 100 0 - 9.6-15.0 HE2 LYS 31 - HG2 LYS 24 far 0 74 0 - 9.6-23.0 HE2 LYS 19 - HG2 LYS 24 far 0 73 0 - 9.7-15.4 HE3 LYS 19 - HG3 LYS 26 far 0 59 0 - 9.7-21.0 HE3 LYS 36 - HG3 LYS 26 far 0 60 0 - 9.8-15.3 HE3 LYS 24 - HG3 LYS 31 far 0 57 0 - 9.8-23.3 HE2 LYS 26 - HG2 LYS 24 far 0 74 0 - 9.8-12.5 HE2 LYS 24 - HG3 LYS 26 far 0 58 0 - 9.9-12.6 HE3 LYS 31 - HG2 LYS 24 far 0 71 0 - 10.0-22.2 Violated in 0 structures by 0.00 A. Peak 1018 from aliabs.peaks (4.28, 1.46, 24.92 ppm; 5.47 A): 4 out of 29 assignments used, quality = 1.00: * HA LYS 36 + HG3 LYS 36 OK 100 100 100 100 3.4-3.5 4.1=100 HA LYS 31 + HG2 LYS 31 OK 58 58 100 100 2.2-3.7 3.8=100 HA ARG 23 + HG3 LYS 24 OK 31 60 55 95 4.8-6.7 424/6223=88, ~832=24...(12) HA LEU 22 + HG3 LYS 24 OK 27 46 75 79 3.6-7.2 ~1309=25, 6212/6223=22...(12) HA PHE 87 - HG3 LYS 86 poor 11 43 25 - 3.8-6.7 HA ALA 21 - HG3 LYS 24 far 6 56 10 - 5.0-10.5 HA ARG 23 - HG2 LYS 31 far 3 65 5 - 3.0-18.6 HA LYS 19 - HG3 LYS 24 far 3 54 5 - 4.3-12.8 HA ALA 21 - HG3 LYS 86 far 0 45 0 - 6.2-30.7 HA LYS 19 - HG2 LYS 31 far 0 59 0 - 6.3-23.8 HA THR 25 - HG3 LYS 24 far 0 60 0 - 6.4-6.9 HA LYS 26 - HG2 LYS 31 far 0 55 0 - 6.5-13.6 HA ALA 21 - HG2 LYS 31 far 0 61 0 - 6.7-24.0 HA LEU 22 - HG2 LYS 31 far 0 50 0 - 7.0-21.4 HA ALA 12 - HG2 LYS 31 far 0 67 0 - 7.1-37.0 HA SER 74 - HG3 LYS 86 far 0 50 0 - 7.1-9.9 HA TYR 76 - HG3 LYS 86 far 0 32 0 - 7.4-10.0 HA ALA 15 - HG3 LYS 86 far 0 49 0 - 7.6-41.1 HA THR 18 - HG3 LYS 24 far 0 61 0 - 8.1-14.4 HA LYS 26 - HG3 LYS 24 far 0 50 0 - 8.4-9.7 HA THR 25 - HG2 LYS 31 far 0 65 0 - 8.5-17.3 HA THR 18 - HG3 LYS 86 far 0 50 0 - 8.5-34.5 HA THR 18 - HG2 LYS 31 far 0 67 0 - 8.8-25.6 HA ALA 16 - HG2 LYS 31 far 0 64 0 - 9.2-27.3 HA LEU 22 - HG3 LYS 86 far 0 37 0 - 9.3-27.4 HA LYS 31 - HG3 LYS 36 far 0 93 0 - 9.3-10.6 HA TYR 76 - HG3 LYS 36 far 0 76 0 - 9.4-10.5 HA SER 74 - HG3 LYS 24 far 0 61 0 - 9.4-24.1 HA LYS 19 - HG3 LYS 86 far 0 44 0 - 9.7-34.2 Violated in 0 structures by 0.00 A. Peak 1019 from aliabs.peaks (1.82, 1.46, 24.92 ppm; 4.92 A): 4 out of 21 assignments used, quality = 1.00: * HB2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 LYS 31 + HG2 LYS 31 OK 66 66 100 100 2.3-3.0 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 61 61 100 100 2.4-2.7 2.9=100 HB2 LYS 86 + HG3 LYS 86 OK 32 32 100 100 2.9-3.0 3.0=100 HB3 ARG 23 - HG3 LYS 24 far 6 62 10 - 4.3-7.9 HB3 ARG 23 - HG2 LYS 31 far 3 67 5 - 4.5-21.6 HB3 LYS 26 - HG2 LYS 31 far 3 67 5 - 5.1-12.2 HB3 LYS 19 - HG2 LYS 31 far 0 62 0 - 5.6-22.9 HB3 LYS 19 - HG3 LYS 24 far 0 57 0 - 5.6-13.8 HB ILE 32 - HG2 LYS 31 far 0 65 0 - 6.8-8.1 HB2 CYS 79 - HG3 LYS 86 far 0 44 0 - 7.3-10.2 HB2 ARG 84 - HG3 LYS 86 far 0 48 0 - 7.4-9.3 HB ILE 32 - HG3 LYS 36 far 0 99 0 - 7.4-8.7 HB VAL 93 - HG3 LYS 86 far 0 45 0 - 7.9-10.7 HB2 CYS 79 - HG3 LYS 24 far 0 54 0 - 8.1-24.5 HB3 LYS 19 - HG3 LYS 86 far 0 46 0 - 8.1-35.0 HB3 LYS 31 - HG3 LYS 24 far 0 60 0 - 8.8-21.0 HB2 LYS 36 - HG2 LYS 31 far 0 67 0 - 9.0-11.1 HB3 ARG 135 - HG3 LYS 86 far 0 50 0 - 9.0-12.1 HB3 LYS 24 - HG2 LYS 31 far 0 67 0 - 9.1-21.2 HB3 ARG 23 - HG3 LYS 86 far 0 50 0 - 9.3-27.9 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 5 assignments used, quality = 1.00: * HB3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 ARG 90 - HG3 LYS 86 far 4 24 15 - 4.5-8.2 HB3 ARG 84 - HG3 LYS 86 far 0 36 0 - 8.3-9.6 HB2 ARG 135 - HG3 LYS 86 far 0 49 0 - 8.5-13.0 HB3 LYS 36 - HG2 LYS 31 far 0 67 0 - 9.0-12.1 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 22 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 12 - HG2 LYS 31 far 0 47 0 - 4.3-31.0 HG3 LYS 26 - HG2 LYS 31 far 0 67 0 - 5.9-14.2 QB ALA 16 - HG2 LYS 31 far 0 61 0 - 6.1-23.6 HG2 LYS 19 - HG2 LYS 31 far 0 62 0 - 6.2-23.2 QB ALA 28 - HG3 LYS 24 far 0 61 0 - 6.3-14.2 QB ALA 29 - HG3 LYS 36 far 0 100 0 - 6.3-10.1 QB ALA 15 - HG3 LYS 86 far 0 50 0 - 6.9-33.2 HG2 LYS 24 - HG2 LYS 31 far 0 66 0 - 7.5-21.3 HG2 LYS 19 - HG3 LYS 24 far 0 57 0 - 7.6-13.9 HG3 LYS 31 - HG3 LYS 24 far 0 60 0 - 7.7-21.4 QB ALA 29 - HG2 LYS 31 far 0 67 0 - 7.9-9.1 QB ALA 28 - HG2 LYS 31 far 0 66 0 - 8.2-9.6 HG3 LYS 31 - HG3 LYS 36 far 0 100 0 - 8.7-13.1 HG2 LYS 19 - HG3 LYS 86 far 0 46 0 - 8.9-35.4 HG3 LYS 26 - HG3 LYS 24 far 0 62 0 - 9.1-10.6 QB ALA 12 - HG3 LYS 86 far 0 34 0 - 9.6-34.6 QB ALA 29 - HG3 LYS 24 far 0 62 0 - 9.9-16.2 QB ALA 16 - HG3 LYS 86 far 0 45 0 - 9.9-34.9 HB2 LEU 42 - HG3 LYS 36 far 0 99 0 - 10.0-11.5 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 28 assignments used, quality = 1.00: * HD2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.8-3.0 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.7-2.9 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 66 66 100 100 2.2-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 65 65 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HD2 LYS 86 + HG3 LYS 86 OK 49 49 100 100 2.4-2.6 3.0=100 HD3 LYS 86 + HG3 LYS 86 OK 47 47 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HG2 LYS 31 far 7 67 10 - 4.0-11.7 HD2 LYS 26 - HG2 LYS 31 far 0 67 0 - 5.7-12.1 HD3 LYS 19 - HG3 LYS 86 far 0 43 0 - 6.8-37.6 QB ALA 88 - HG3 LYS 86 far 0 50 0 - 7.0-7.8 HG2 ARG 84 - HG3 LYS 86 far 0 29 0 - 7.2-9.7 HD2 LYS 19 - HG3 LYS 86 far 0 45 0 - 8.0-37.5 HD2 LYS 19 - HG3 LYS 24 far 0 55 0 - 8.0-16.0 HD2 LYS 36 - HG2 LYS 31 far 0 67 0 - 8.0-10.5 HG3 ARG 84 - HG3 LYS 86 far 0 33 0 - 8.1-10.9 HD3 LYS 26 - HG3 LYS 36 far 0 100 0 - 8.3-14.1 HD3 LYS 19 - HG2 LYS 31 far 0 58 0 - 8.5-25.2 HD2 LYS 19 - HG2 LYS 31 far 0 60 0 - 8.5-25.7 HD2 LYS 26 - HG3 LYS 36 far 0 100 0 - 8.6-12.6 HD3 LYS 36 - HG2 LYS 31 far 0 67 0 - 9.2-11.8 HD3 LYS 19 - HG3 LYS 24 far 0 53 0 - 9.2-16.2 HD3 LYS 31 - HG3 LYS 36 far 0 100 0 - 9.4-14.3 HD2 LYS 31 - HG3 LYS 36 far 0 99 0 - 9.5-14.0 HD2 LYS 86 - HG3 LYS 24 far 0 60 0 - 9.7-25.0 HD3 LYS 31 - HG3 LYS 24 far 0 61 0 - 9.8-22.2 HD2 LYS 24 - HG2 LYS 31 far 0 67 0 - 10.0-23.6 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 28 assignments used, quality = 1.00: * HD3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.7-2.9 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.8-3.0 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 67 67 100 100 2.2-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 65 65 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HD2 LYS 86 + HG3 LYS 86 OK 49 49 100 100 2.4-2.6 3.0=100 HD3 LYS 86 + HG3 LYS 86 OK 48 48 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HG2 LYS 31 far 7 67 10 - 4.0-11.7 HD2 LYS 26 - HG2 LYS 31 far 0 67 0 - 5.7-12.1 HD3 LYS 19 - HG3 LYS 86 far 0 44 0 - 6.8-37.6 QB ALA 88 - HG3 LYS 86 far 0 50 0 - 7.0-7.8 HG2 ARG 84 - HG3 LYS 86 far 0 30 0 - 7.2-9.7 HD2 LYS 19 - HG3 LYS 86 far 0 45 0 - 8.0-37.5 HD2 LYS 19 - HG3 LYS 24 far 0 56 0 - 8.0-16.0 HD2 LYS 36 - HG2 LYS 31 far 0 67 0 - 8.0-10.5 HG3 ARG 84 - HG3 LYS 86 far 0 34 0 - 8.1-10.9 HD3 LYS 26 - HG3 LYS 36 far 0 100 0 - 8.3-14.1 HD3 LYS 19 - HG2 LYS 31 far 0 59 0 - 8.5-25.2 HD2 LYS 19 - HG2 LYS 31 far 0 61 0 - 8.5-25.7 HD2 LYS 26 - HG3 LYS 36 far 0 100 0 - 8.6-12.6 HD3 LYS 36 - HG2 LYS 31 far 0 67 0 - 9.2-11.8 HD3 LYS 19 - HG3 LYS 24 far 0 54 0 - 9.2-16.2 HD3 LYS 31 - HG3 LYS 36 far 0 100 0 - 9.4-14.3 HD2 LYS 31 - HG3 LYS 36 far 0 99 0 - 9.5-14.0 HD2 LYS 86 - HG3 LYS 24 far 0 60 0 - 9.7-25.0 HD3 LYS 31 - HG3 LYS 24 far 0 61 0 - 9.8-22.2 HD2 LYS 24 - HG2 LYS 31 far 0 67 0 - 10.0-23.6 Violated in 0 structures by 0.00 A. Peak 1025 from aliabs.peaks (2.96, 1.46, 24.92 ppm; 5.55 A): 7 out of 25 assignments used, quality = 1.00: HE3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.0-3.5 4.0=100 * HE2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.0-3.5 4.0=100 HE2 LYS 31 + HG2 LYS 31 OK 67 67 100 100 2.1-4.0 3.7=100 HE3 LYS 31 + HG2 LYS 31 OK 65 65 100 100 2.0-4.2 3.7=100 HE2 LYS 24 + HG3 LYS 24 OK 59 59 100 100 2.3-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 54 54 100 100 2.3-3.9 4.0=100 HE3 LYS 86 + HG3 LYS 86 OK 49 49 100 100 2.4-3.8 3.7=100 HE3 LYS 26 - HG2 LYS 31 far 3 67 5 - 5.9-14.3 HE3 LYS 19 - HG3 LYS 86 far 2 50 5 - 5.3-38.4 HE2 LYS 26 - HG2 LYS 31 far 0 67 0 - 6.5-13.4 HE2 LYS 19 - HG3 LYS 86 far 0 50 0 - 6.8-38.4 HE2 LYS 26 - HG3 LYS 36 far 0 100 0 - 7.1-13.4 HE3 LYS 36 - HG2 LYS 31 far 0 67 0 - 7.4-12.4 HE3 LYS 19 - HG2 LYS 31 far 0 66 0 - 7.7-26.4 HE2 LYS 36 - HG2 LYS 31 far 0 67 0 - 8.0-11.8 HE2 LYS 19 - HG2 LYS 31 far 0 66 0 - 8.4-24.8 HE3 LYS 19 - HG3 LYS 24 far 0 61 0 - 8.6-17.0 HE3 LYS 26 - HG3 LYS 36 far 0 100 0 - 8.8-14.3 HE2 LYS 31 - HG3 LYS 36 far 0 100 0 - 8.9-14.6 HE2 LYS 24 - HG2 LYS 31 far 0 65 0 - 9.0-23.6 HE2 LYS 19 - HG3 LYS 24 far 0 61 0 - 9.3-16.7 HE3 LYS 26 - HG3 LYS 24 far 0 62 0 - 9.3-11.4 HE2 LYS 26 - HG3 LYS 24 far 0 62 0 - 9.7-13.1 HE3 LYS 31 - HG3 LYS 36 far 0 99 0 - 9.7-14.5 HE3 LYS 86 - HG3 LYS 24 far 0 60 0 - 9.8-26.1 Violated in 0 structures by 0.00 A. Peak 1026 from aliabs.peaks (2.96, 1.46, 24.92 ppm; 5.55 A): 7 out of 25 assignments used, quality = 1.00: * HE3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.0-3.5 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.0-3.5 4.0=100 HE2 LYS 31 + HG2 LYS 31 OK 67 67 100 100 2.1-4.0 3.7=100 HE3 LYS 31 + HG2 LYS 31 OK 65 65 100 100 2.0-4.2 3.7=100 HE2 LYS 24 + HG3 LYS 24 OK 59 59 100 100 2.3-4.0 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 54 54 100 100 2.3-3.9 4.0=100 HE3 LYS 86 + HG3 LYS 86 OK 49 49 100 100 2.4-3.8 3.7=100 HE3 LYS 26 - HG2 LYS 31 far 3 67 5 - 5.9-14.3 HE3 LYS 19 - HG3 LYS 86 far 2 50 5 - 5.3-38.4 HE2 LYS 26 - HG2 LYS 31 far 0 67 0 - 6.5-13.4 HE2 LYS 19 - HG3 LYS 86 far 0 50 0 - 6.8-38.4 HE2 LYS 26 - HG3 LYS 36 far 0 100 0 - 7.1-13.4 HE3 LYS 36 - HG2 LYS 31 far 0 67 0 - 7.4-12.4 HE3 LYS 19 - HG2 LYS 31 far 0 66 0 - 7.7-26.4 HE2 LYS 36 - HG2 LYS 31 far 0 67 0 - 8.0-11.8 HE2 LYS 19 - HG2 LYS 31 far 0 66 0 - 8.4-24.8 HE3 LYS 19 - HG3 LYS 24 far 0 61 0 - 8.6-17.0 HE3 LYS 26 - HG3 LYS 36 far 0 100 0 - 8.8-14.3 HE2 LYS 31 - HG3 LYS 36 far 0 100 0 - 8.9-14.6 HE2 LYS 24 - HG2 LYS 31 far 0 65 0 - 9.0-23.6 HE2 LYS 19 - HG3 LYS 24 far 0 61 0 - 9.3-16.7 HE3 LYS 26 - HG3 LYS 24 far 0 62 0 - 9.3-11.4 HE2 LYS 26 - HG3 LYS 24 far 0 62 0 - 9.7-13.1 HE3 LYS 31 - HG3 LYS 36 far 0 99 0 - 9.7-14.5 HE3 LYS 86 - HG3 LYS 24 far 0 60 0 - 9.8-26.1 Violated in 0 structures by 0.00 A. Peak 1029 from aliabs.peaks (4.28, 1.66, 28.74 ppm; 4.12 A): 7 out of 85 assignments used, quality = 1.00: * HA LYS 36 + HD2 LYS 36 OK 99 100 100 99 4.6-4.6 5.3=48, 3.0/1031=36...(29) HA LYS 31 + HD3 LYS 31 OK 78 84 95 98 1.9-4.8 5.2=49, ~6332=26...(32) HA LYS 19 + HD2 LYS 19 OK 75 76 100 98 3.5-4.4 5.2=51, ~6151=30...(42) HA LYS 31 + HD2 LYS 31 OK 75 80 95 98 2.0-4.7 5.2=49, ~6332=26...(32) HA LYS 26 + HD3 LYS 26 OK 65 83 80 99 2.0-5.3 5.0=57, ~6253=32...(34) HA LYS 19 + HD3 LYS 19 OK 45 70 65 98 3.8-5.0 5.2=51, ~6151=30...(41) HA LYS 26 + HD2 LYS 26 OK 40 82 50 99 2.0-5.1 5.0=57, ~6253=32...(34) HA LEU 22 - HD3 LYS 24 poor 19 75 25 - 3.7-8.5 HA LEU 22 - HD2 LYS 24 poor 13 85 30 49 3.2-9.0 ~1309=11, 6212/5.9=8...(11) HA ALA 16 - HD2 LYS 19 far 12 82 15 - 4.1-8.2 HA LYS 31 - HD3 LYS 26 far 9 86 10 - 4.0-10.4 HA ARG 23 - HD3 LYS 24 far 5 92 5 - 4.0-7.6 HA LYS 19 - HD3 LYS 31 far 4 85 5 - 4.2-24.3 HA SER 74 - HD3 LYS 19 far 4 78 5 - 4.6-35.1 HA ALA 16 - HD3 LYS 19 far 0 75 0 - 4.7-9.2 HA LYS 36 - HD3 LYS 36 far 0 100 0 - 4.9-5.2 HA THR 25 - HD2 LYS 26 far 0 93 0 - 4.9-6.7 HA THR 18 - HD2 LYS 19 far 0 85 0 - 5.0-5.5 HA ALA 21 - HD3 LYS 24 far 0 88 0 - 5.0-11.3 HA ARG 23 - HD2 LYS 24 far 0 99 0 - 5.0-7.8 HA LYS 19 - HD2 LYS 31 far 0 81 0 - 5.1-24.1 HA LYS 31 - HD2 LYS 26 far 0 85 0 - 5.1-10.1 HA THR 25 - HD3 LYS 26 far 0 94 0 - 5.2-6.8 HA ALA 21 - HD2 LYS 24 far 0 96 0 - 5.2-10.9 HA ARG 23 - HD3 LYS 31 far 0 92 0 - 5.4-17.9 HA ARG 23 - HD2 LYS 31 far 0 89 0 - 5.5-19.1 HA THR 18 - HD3 LYS 19 far 0 78 0 - 5.6-7.0 HA ALA 15 - HD2 LYS 19 far 0 84 0 - 5.7-11.6 HA THR 25 - HD3 LYS 24 far 0 92 0 - 5.8-7.0 HA LYS 36 - HD2 LYS 26 far 0 95 0 - 5.9-11.4 HA LYS 36 - HD3 LYS 26 far 0 96 0 - 6.0-12.7 HA ALA 15 - HD3 LYS 19 far 0 77 0 - 6.2-11.9 HA SER 74 - HD2 LYS 19 far 0 84 0 - 6.2-35.4 HA ARG 23 - HD3 LYS 26 far 0 94 0 - 6.4-12.1 HA THR 25 - HD2 LYS 24 far 0 99 0 - 6.5-8.0 HA LYS 26 - HD2 LYS 31 far 0 77 0 - 6.5-14.6 HA ALA 12 - HD3 LYS 19 far 0 79 0 - 6.5-20.5 HA LYS 19 - HD2 LYS 24 far 0 94 0 - 6.5-12.9 HA ALA 21 - HD3 LYS 31 far 0 88 0 - 6.6-23.8 HA LYS 19 - HD3 LYS 24 far 0 85 0 - 6.6-13.2 HA LYS 26 - HD3 LYS 24 far 0 81 0 - 6.8-10.5 HA ALA 12 - HD2 LYS 95 far 0 81 0 - 6.9-40.4 HA ALA 16 - HD3 LYS 31 far 0 91 0 - 7.0-28.5 HA ALA 12 - HD3 LYS 95 far 0 87 0 - 7.1-39.3 HA THR 18 - HD3 LYS 31 far 0 94 0 - 7.1-26.4 HA ALA 16 - HD2 LYS 31 far 0 87 0 - 7.3-28.5 HA LYS 31 - HD2 LYS 36 far 0 93 0 - 7.5-8.1 HA ALA 12 - HD2 LYS 19 far 0 85 0 - 7.6-20.3 HA SER 74 - HD3 LYS 24 far 0 93 0 - 7.6-23.3 HA ALA 21 - HD3 LYS 19 far 0 72 0 - 7.7-9.8 HA ALA 12 - HD2 LYS 31 far 0 90 0 - 7.7-38.2 HA LEU 22 - HD3 LYS 31 far 0 75 0 - 7.8-22.1 HA LYS 26 - HD3 LYS 31 far 0 81 0 - 7.8-13.5 HA LYS 26 - HD2 LYS 24 far 0 90 0 - 7.8-10.9 HA ALA 21 - HD2 LYS 19 far 0 79 0 - 7.8-8.6 HA ARG 23 - HD2 LYS 26 far 0 93 0 - 7.9-11.1 HA ALA 21 - HD2 LYS 31 far 0 84 0 - 8.2-24.8 HA TYR 76 - HD3 LYS 36 far 0 76 0 - 8.2-9.1 HA LYS 31 - HD3 LYS 19 far 0 68 0 - 8.3-27.0 HA TYR 76 - HD2 LYS 36 far 0 76 0 - 8.4-9.8 HA LEU 22 - HD2 LYS 26 far 0 76 0 - 8.4-15.7 HA SER 74 - HD2 LYS 24 far 0 100 0 - 8.4-24.9 HA ARG 23 - HD3 LYS 19 far 0 77 0 - 8.4-12.6 HA ALA 12 - HD3 LYS 31 far 0 94 0 - 8.4-38.1 HA LEU 22 - HD3 LYS 26 far 0 77 0 - 8.5-15.5 HA LEU 22 - HD2 LYS 19 far 0 66 0 - 8.6-11.0 HA LEU 22 - HD2 LYS 31 far 0 71 0 - 8.6-22.9 HA ARG 23 - HD2 LYS 19 far 0 83 0 - 8.7-12.2 HA THR 18 - HD2 LYS 24 far 0 100 0 - 8.7-12.7 HA THR 18 - HD2 LYS 31 far 0 90 0 - 8.7-26.2 HA THR 25 - HD3 LYS 31 far 0 92 0 - 8.7-17.7 HA LYS 31 - HD2 LYS 19 far 0 75 0 - 8.9-27.5 HA LYS 31 - HD3 LYS 36 far 0 93 0 - 9.1-9.5 HA THR 18 - HD3 LYS 24 far 0 94 0 - 9.1-13.3 HA THR 25 - HD2 LYS 31 far 0 89 0 - 9.2-17.6 HA ALA 15 - HD3 LYS 31 far 0 93 0 - 9.4-29.3 HA LEU 22 - HD3 LYS 19 far 0 60 0 - 9.5-12.1 HA ARG 23 - HD2 LYS 36 far 0 99 0 - 9.5-19.6 HA THR 25 - HD2 LYS 19 far 0 83 0 - 9.6-17.8 HA LYS 19 - HD3 LYS 26 far 0 87 0 - 9.7-20.2 HA PHE 87 - HD3 LYS 95 far 0 77 0 - 9.7-12.5 HA TYR 76 - HD2 LYS 26 far 0 67 0 - 9.7-14.0 HA PHE 87 - HD3 LYS 19 far 0 68 0 - 9.9-41.0 HA PHE 87 - HD2 LYS 19 far 0 75 0 - 10.0-40.9 HA LYS 26 - HD3 LYS 19 far 0 65 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 1030 from aliabs.peaks (1.82, 1.66, 28.74 ppm; 4.50 A): 12 out of 62 assignments used, quality = 1.00: * HB2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-3.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 3.0-4.0 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.0-3.3 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 94 94 100 100 2.0-3.2 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 94 94 100 100 2.1-3.7 3.5=100 HB ILE 32 + HD2 LYS 26 OK 93 93 100 100 4.2-5.1 ~10767=42, 10833=42...(54) HB3 LYS 31 + HD3 LYS 31 OK 93 93 100 100 2.1-4.1 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 89 89 100 100 2.0-3.8 3.5=100 HB3 LYS 19 + HD2 LYS 19 OK 80 80 100 100 3.5-4.1 3.9=100 HB3 LYS 19 + HD3 LYS 19 OK 73 73 100 100 3.3-4.2 3.9=100 HB ILE 32 + HD3 LYS 26 OK 38 94 40 100 3.4-6.5 10833/1.8=45, ~10766=36...(59) HB3 LYS 31 - HD3 LYS 26 far 9 94 10 - 3.5-10.7 HB3 LYS 31 - HD2 LYS 26 far 9 94 10 - 4.7-11.2 HB3 ARG 23 - HD3 LYS 24 far 5 94 5 - 4.2-8.9 HB3 LYS 19 - HD3 LYS 31 far 4 89 5 - 3.0-23.2 HB3 LYS 19 - HD2 LYS 31 far 4 85 5 - 3.4-23.3 HB3 ARG 23 - HD2 LYS 24 far 0 100 0 - 5.3-8.9 HB VAL 93 - HD3 LYS 95 far 0 81 0 - 5.6-8.6 HB ILE 32 - HD2 LYS 36 far 0 99 0 - 5.9-6.8 HB3 LYS 26 - HD2 LYS 31 far 0 90 0 - 5.9-12.3 HB2 LYS 36 - HD3 LYS 26 far 0 96 0 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 26 far 0 96 0 - 6.3-14.3 HB2 LYS 36 - HD2 LYS 26 far 0 95 0 - 6.3-11.2 HB3 LYS 19 - HD3 LYS 24 far 0 89 0 - 6.4-14.8 HB VAL 93 - HD2 LYS 95 far 0 74 0 - 6.4-8.7 HB ILE 32 - HD3 LYS 31 far 0 92 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 94 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 95 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 89 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 97 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 94 0 - 6.8-12.2 HB3 ARG 23 - HD2 LYS 31 far 0 90 0 - 7.3-22.1 HB ILE 32 - HD3 LYS 36 far 0 99 0 - 7.6-8.5 HB3 LYS 31 - HD3 LYS 19 far 0 77 0 - 8.1-26.2 HB2 LYS 36 - HD3 LYS 31 far 0 94 0 - 8.1-12.5 HB2 CYS 79 - HD3 LYS 19 far 0 70 0 - 8.3-33.8 HB2 LYS 36 - HD2 LYS 31 far 0 90 0 - 8.3-12.3 HB2 LYS 86 - HD3 LYS 19 far 0 53 0 - 8.4-38.5 HB3 LYS 31 - HD2 LYS 19 far 0 84 0 - 8.4-26.6 HB VAL 93 - HD3 LYS 19 far 0 72 0 - 8.4-40.5 HB3 ARG 23 - HD3 LYS 19 far 0 79 0 - 8.5-12.9 HB2 CYS 79 - HD2 LYS 24 far 0 94 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 86 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 95 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 19 far 0 85 0 - 8.8-16.9 HB3 LYS 24 - HD2 LYS 26 far 0 94 0 - 8.8-11.0 HB3 ARG 23 - HD2 LYS 19 far 0 85 0 - 8.9-12.7 HB VAL 93 - HD2 LYS 19 far 0 79 0 - 9.3-40.8 HB3 LYS 31 - HD2 LYS 36 far 0 100 0 - 9.3-10.5 HB2 LYS 86 - HD2 LYS 19 far 0 58 0 - 9.3-38.4 HB3 LYS 26 - HD3 LYS 24 far 0 94 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 91 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 90 0 - 9.5-19.2 HB3 LYS 26 - HD2 LYS 36 far 0 100 0 - 9.7-12.7 HB2 CYS 79 - HD3 LYS 36 far 0 94 0 - 9.8-11.3 HB2 CYS 79 - HD2 LYS 36 far 0 95 0 - 9.8-11.7 HB3 LYS 24 - HD3 LYS 19 far 0 78 0 - 9.8-17.0 HB3 ARG 23 - HD2 LYS 36 far 0 100 0 - 9.9-20.6 HB2 CYS 79 - HD3 LYS 24 far 0 85 0 - 9.9-24.7 HB2 CYS 79 - HD2 LYS 19 far 0 76 0 - 9.9-33.8 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 1031 from aliabs.peaks (1.88, 1.66, 28.74 ppm; 5.74 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-3.1 3.5=100 HB3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 3.3-4.0 3.5=100 HB3 LYS 36 - HD3 LYS 26 far 5 96 5 - 6.0-12.2 HB3 LYS 36 - HD2 LYS 26 far 0 95 0 - 6.5-10.6 HB2 ARG 90 - HD3 LYS 95 far 0 46 0 - 6.8-10.5 HB2 ARG 90 - HD3 LYS 19 far 0 40 0 - 7.5-40.1 HB2 ARG 90 - HD2 LYS 95 far 0 42 0 - 7.7-10.1 HB2 ARG 90 - HD2 LYS 19 far 0 45 0 - 8.0-40.1 HB3 LYS 36 - HD3 LYS 31 far 0 94 0 - 8.9-13.7 HB3 LYS 36 - HD2 LYS 31 far 0 90 0 - 8.9-13.1 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 80 assignments used, quality = 1.00: * HG2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.7-2.9 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-2.3 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 2.6-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.3-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 93 93 100 100 2.4-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 31 OK 93 93 100 100 2.2-3.0 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 2.2-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 84 84 100 100 2.5-3.0 2.9=100 HG2 LYS 19 + HD2 LYS 19 OK 80 80 100 100 2.2-2.7 3.0=100 HG3 LYS 95 + HD2 LYS 95 OK 79 79 100 100 2.3-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 77 77 100 100 2.3-3.0 2.9=100 HG2 LYS 19 + HD3 LYS 19 OK 73 73 100 100 2.3-3.0 3.0=100 QB ALA 29 - HD2 LYS 26 poor 19 94 20 - 2.5-6.4 QB ALA 16 - HD2 LYS 19 poor 16 79 20 - 3.5-7.5 QB ALA 29 - HD3 LYS 26 far 14 95 15 - 2.3-7.8 QB ALA 16 - HD3 LYS 19 far 7 72 10 - 4.2-7.8 HG3 LYS 31 - HD3 LYS 26 far 5 94 5 - 4.1-12.0 HG2 LYS 19 - HD3 LYS 31 far 4 89 5 - 3.6-23.8 QB ALA 16 - HD3 LYS 31 far 4 88 5 - 4.2-24.3 QB ALA 15 - HD2 LYS 19 far 4 85 5 - 3.8-10.9 QB ALA 15 - HD3 LYS 19 far 4 79 5 - 3.7-10.4 QB ALA 12 - HD2 LYS 31 far 0 67 0 - 4.5-32.1 QB ALA 16 - HD2 LYS 31 far 0 84 0 - 4.6-24.2 QB ALA 28 - HD3 LYS 26 far 0 95 0 - 4.7-8.5 HG2 LYS 19 - HD2 LYS 31 far 0 85 0 - 4.9-23.9 QB ALA 28 - HD2 LYS 26 far 0 94 0 - 4.9-7.9 QB ALA 12 - HD3 LYS 31 far 0 71 0 - 5.2-32.1 HG3 LYS 31 - HD2 LYS 26 far 0 94 0 - 5.4-12.2 QB ALA 12 - HD3 LYS 95 far 0 64 0 - 5.5-31.9 QB ALA 12 - HD2 LYS 95 far 0 58 0 - 5.6-32.8 QB ALA 29 - HD2 LYS 36 far 0 100 0 - 6.1-9.0 HG3 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.6-10.5 HB2 LEU 96 - HD2 LYS 95 far 0 81 0 - 6.7-9.2 HG3 LYS 26 - HD3 LYS 31 far 0 94 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 90 0 - 6.9-14.3 HB2 LEU 96 - HD3 LYS 95 far 0 87 0 - 7.1-8.9 QB ALA 12 - HD3 LYS 19 far 0 57 0 - 7.4-17.7 HG LEU 96 - HD3 LYS 95 far 0 72 0 - 7.4-9.8 QB ALA 29 - HD3 LYS 36 far 0 100 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 90 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 94 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 84 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 89 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 77 0 - 7.7-26.9 QB ALA 15 - HD3 LYS 95 far 0 87 0 - 7.8-38.1 QB ALA 28 - HD3 LYS 31 far 0 93 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 93 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 100 0 - 7.9-11.7 HG LEU 96 - HD2 LYS 95 far 0 66 0 - 8.0-10.0 QB ALA 15 - HD2 LYS 95 far 0 81 0 - 8.0-39.2 QB ALA 28 - HD2 LYS 24 far 0 100 0 - 8.1-15.1 QB ALA 28 - HD2 LYS 31 far 0 90 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 62 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 97 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 84 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 96 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 95 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 81 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 96 0 - 8.6-22.7 QB ALA 16 - HD2 LYS 24 far 0 96 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 94 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 93 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 99 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 100 0 - 9.1-12.8 QB ALA 12 - HD3 LYS 36 far 0 80 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 94 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 94 0 - 9.2-24.7 HG2 LYS 24 - HD3 LYS 26 far 0 95 0 - 9.3-12.6 HG3 LYS 31 - HD2 LYS 24 far 0 100 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 90 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 78 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 95 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 100 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 93 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 91 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 90 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 88 0 - 9.9-17.6 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 40 assignments used, quality = 1.00: * HG3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.8-3.0 3.0=100 HG3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.7-2.9 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 2.2-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 90 90 100 100 2.4-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 88 88 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 62 62 100 100 2.9-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 57 57 100 100 2.3-2.8 3.0=100 HG2 LYS 26 + HD3 LYS 26 OK 56 56 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HD2 LYS 26 OK 55 55 100 100 2.2-3.0 2.9=100 QB ALA 92 - HD2 LYS 95 poor 8 42 20 - 3.1-6.5 HG2 LYS 31 - HD3 LYS 26 far 5 95 5 - 4.0-11.7 HG3 LYS 19 - HD3 LYS 31 far 4 71 5 - 3.5-23.9 HG3 LYS 19 - HD2 LYS 31 far 0 67 0 - 4.2-23.7 QB ALA 92 - HD3 LYS 95 far 0 46 0 - 4.5-5.9 HG2 LYS 26 - HD3 LYS 31 far 0 54 0 - 5.1-14.0 HG2 LYS 26 - HD2 LYS 31 far 0 51 0 - 5.2-13.9 HG2 LYS 31 - HD2 LYS 26 far 0 94 0 - 5.7-12.1 HG3 LYS 86 - HD3 LYS 19 far 0 64 0 - 6.8-37.6 HG3 LYS 19 - HD3 LYS 24 far 0 71 0 - 7.6-15.9 HG3 LYS 86 - HD2 LYS 19 far 0 70 0 - 8.0-37.5 HG3 LYS 24 - HD2 LYS 19 far 0 79 0 - 8.0-16.0 HG2 LYS 31 - HD2 LYS 36 far 0 100 0 - 8.0-10.5 HG3 LYS 36 - HD3 LYS 26 far 0 96 0 - 8.3-14.1 HG2 LYS 26 - HD3 LYS 24 far 0 54 0 - 8.3-12.6 HG3 LYS 19 - HD2 LYS 24 far 0 80 0 - 8.4-15.6 HG2 LYS 31 - HD3 LYS 19 far 0 79 0 - 8.5-25.2 HG2 LYS 31 - HD2 LYS 19 far 0 85 0 - 8.5-25.7 HG3 LYS 36 - HD2 LYS 26 far 0 95 0 - 8.6-12.6 HG3 LYS 19 - HD3 LYS 26 far 0 73 0 - 9.0-20.4 HG2 LYS 31 - HD3 LYS 36 far 0 100 0 - 9.2-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 63 0 - 9.2-12.8 HG3 LYS 24 - HD3 LYS 19 far 0 72 0 - 9.2-16.2 HG3 LYS 36 - HD3 LYS 31 far 0 94 0 - 9.4-14.3 HG2 LYS 26 - HD2 LYS 24 far 0 63 0 - 9.4-13.2 HG3 LYS 19 - HD2 LYS 26 far 0 72 0 - 9.5-19.8 HG3 LYS 36 - HD2 LYS 31 far 0 90 0 - 9.5-14.0 HG LEU 42 - HD3 LYS 36 far 0 63 0 - 9.6-10.7 HG3 LYS 24 - HD3 LYS 31 far 0 88 0 - 9.8-22.2 HG2 LYS 31 - HD2 LYS 24 far 0 100 0 - 10.0-23.6 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 66 assignments used, quality = 1.00: HE3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.5-3.0 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 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.2-2.9 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 2.3-3.0 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 2.3-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD2 LYS 31 far 0 90 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 93 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 90 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 93 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 94 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 93 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 90 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 100 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 96 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 76 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 82 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 79 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 90 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 99 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 90 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 94 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 95 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 100 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 92 0 - 7.7-13.6 HB3 ASN 121 - HD3 LYS 95 far 0 72 0 - 7.9-10.8 HE2 LYS 31 - HD3 LYS 36 far 0 100 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 85 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 90 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 100 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 77 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 94 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 76 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 94 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 99 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 84 0 - 8.6-36.9 HB3 ASN 121 - HD2 LYS 95 far 0 66 0 - 8.7-10.6 HE3 LYS 24 - HD3 LYS 19 far 0 70 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 95 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 100 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 71 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 94 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 95 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 96 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 82 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 93 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 96 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 79 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 85 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 76 0 - 9.9-17.4 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 66 assignments used, quality = 1.00: * HE3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.5-3.0 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 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.2-2.9 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 2.3-3.0 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 2.3-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD2 LYS 31 far 0 90 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 93 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 90 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 93 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 94 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 93 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 90 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 100 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 96 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 76 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 82 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 79 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 90 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 99 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 90 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 94 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 95 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 100 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 92 0 - 7.7-13.6 HB3 ASN 121 - HD3 LYS 95 far 0 72 0 - 7.9-10.8 HE2 LYS 31 - HD3 LYS 36 far 0 100 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 85 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 90 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 100 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 77 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 94 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 76 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 94 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 99 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 84 0 - 8.6-36.9 HB3 ASN 121 - HD2 LYS 95 far 0 66 0 - 8.7-10.6 HE3 LYS 24 - HD3 LYS 19 far 0 70 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 95 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 100 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 71 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 94 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 95 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 96 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 82 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 93 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 96 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 79 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 85 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 76 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 1040 from aliabs.peaks (4.28, 1.66, 28.74 ppm; 4.14 A increased from 3.68 A): 7 out of 85 assignments used, quality = 1.00: HA LYS 36 + HD2 LYS 36 OK 99 100 100 99 4.6-4.6 5.3=49, 3.0/1031=36...(29) HA LYS 31 + HD2 LYS 31 OK 80 82 100 98 2.0-4.7 5.2=50, ~6332=26...(32) HA LYS 31 + HD3 LYS 31 OK 79 85 95 98 1.9-4.8 5.2=50, ~6332=26...(32) HA LYS 19 + HD2 LYS 19 OK 78 79 100 99 3.5-4.4 5.2=52, ~6151=31...(42) HA LYS 26 + HD3 LYS 26 OK 65 83 80 99 2.0-5.3 5.0=58, ~6253=32...(34) HA LYS 19 + HD3 LYS 19 OK 47 73 65 98 3.8-5.0 5.2=52, ~6151=31...(41) HA LYS 26 + HD2 LYS 26 OK 41 82 50 99 2.0-5.1 5.0=58, ~6253=32...(34) HA LEU 22 - HD2 LYS 24 poor 13 85 30 50 3.2-9.0 ~1309=11, 6212/5.9=8...(11) HA ALA 16 - HD2 LYS 19 far 13 84 15 - 4.1-8.2 HA LEU 22 - HD3 LYS 24 poor 11 77 30 49 3.7-8.5 ~1309=11, 6212/5.9=8...(11) HA LYS 31 - HD3 LYS 26 far 9 86 10 - 4.0-10.4 HA ARG 23 - HD3 LYS 24 far 5 94 5 - 4.0-7.6 HA LYS 19 - HD3 LYS 31 far 4 86 5 - 4.2-24.3 HA SER 74 - HD3 LYS 19 far 4 81 5 - 4.6-35.1 HA ALA 16 - HD3 LYS 19 far 0 79 0 - 4.7-9.2 ! HA LYS 36 - HD3 LYS 36 far 0 100 0 - 4.9-5.2 HA THR 25 - HD2 LYS 26 far 0 94 0 - 4.9-6.7 HA THR 18 - HD2 LYS 19 far 0 87 0 - 5.0-5.5 HA ALA 21 - HD3 LYS 24 far 0 90 0 - 5.0-11.3 HA ARG 23 - HD2 LYS 24 far 0 99 0 - 5.0-7.8 HA LYS 19 - HD2 LYS 31 far 0 83 0 - 5.1-24.1 HA LYS 31 - HD2 LYS 26 far 0 85 0 - 5.1-10.1 HA THR 25 - HD3 LYS 26 far 0 94 0 - 5.2-6.8 HA ALA 21 - HD2 LYS 24 far 0 97 0 - 5.2-10.9 HA ARG 23 - HD3 LYS 31 far 0 93 0 - 5.4-17.9 HA ARG 23 - HD2 LYS 31 far 0 90 0 - 5.5-19.1 HA THR 18 - HD3 LYS 19 far 0 82 0 - 5.6-7.0 HA ALA 15 - HD2 LYS 19 far 0 87 0 - 5.7-11.6 HA THR 25 - HD3 LYS 24 far 0 94 0 - 5.8-7.0 HA LYS 36 - HD2 LYS 26 far 0 95 0 - 5.9-11.4 HA LYS 36 - HD3 LYS 26 far 0 95 0 - 6.0-12.7 HA ALA 15 - HD3 LYS 19 far 0 81 0 - 6.2-11.9 HA SER 74 - HD2 LYS 19 far 0 87 0 - 6.2-35.4 HA ARG 23 - HD3 LYS 26 far 0 94 0 - 6.4-12.1 HA THR 25 - HD2 LYS 24 far 0 99 0 - 6.5-8.0 HA LYS 26 - HD2 LYS 31 far 0 78 0 - 6.5-14.6 HA ALA 12 - HD3 LYS 19 far 0 82 0 - 6.5-20.5 HA LYS 19 - HD2 LYS 24 far 0 95 0 - 6.5-12.9 HA ALA 21 - HD3 LYS 31 far 0 89 0 - 6.6-23.8 HA LYS 19 - HD3 LYS 24 far 0 87 0 - 6.6-13.2 HA LYS 26 - HD3 LYS 24 far 0 83 0 - 6.8-10.5 HA ALA 12 - HD2 LYS 95 far 0 82 0 - 6.9-40.4 HA ALA 16 - HD3 LYS 31 far 0 92 0 - 7.0-28.5 HA ALA 12 - HD3 LYS 95 far 0 88 0 - 7.1-39.3 HA THR 18 - HD3 LYS 31 far 0 94 0 - 7.1-26.4 HA ALA 16 - HD2 LYS 31 far 0 89 0 - 7.3-28.5 HA LYS 31 - HD2 LYS 36 far 0 93 0 - 7.5-8.1 HA ALA 12 - HD2 LYS 19 far 0 88 0 - 7.6-20.3 HA SER 74 - HD3 LYS 24 far 0 95 0 - 7.6-23.3 HA ALA 21 - HD3 LYS 19 far 0 76 0 - 7.7-9.8 HA ALA 12 - HD2 LYS 31 far 0 92 0 - 7.7-38.2 HA LEU 22 - HD3 LYS 31 far 0 76 0 - 7.8-22.1 HA LYS 26 - HD3 LYS 31 far 0 82 0 - 7.8-13.5 HA LYS 26 - HD2 LYS 24 far 0 90 0 - 7.8-10.9 HA ALA 21 - HD2 LYS 19 far 0 81 0 - 7.8-8.6 HA ARG 23 - HD2 LYS 26 far 0 94 0 - 7.9-11.1 HA ALA 21 - HD2 LYS 31 far 0 86 0 - 8.2-24.8 HA TYR 76 - HD3 LYS 36 far 0 76 0 - 8.2-9.1 HA LYS 31 - HD3 LYS 19 far 0 72 0 - 8.3-27.0 HA TYR 76 - HD2 LYS 36 far 0 76 0 - 8.4-9.8 HA LEU 22 - HD2 LYS 26 far 0 77 0 - 8.4-15.7 HA SER 74 - HD2 LYS 24 far 0 100 0 - 8.4-24.9 HA ARG 23 - HD3 LYS 19 far 0 80 0 - 8.4-12.6 HA ALA 12 - HD3 LYS 31 far 0 95 0 - 8.4-38.1 HA LEU 22 - HD3 LYS 26 far 0 77 0 - 8.5-15.5 HA LEU 22 - HD2 LYS 19 far 0 69 0 - 8.6-11.0 HA LEU 22 - HD2 LYS 31 far 0 73 0 - 8.6-22.9 HA ARG 23 - HD2 LYS 19 far 0 86 0 - 8.7-12.2 HA THR 18 - HD2 LYS 24 far 0 100 0 - 8.7-12.7 HA THR 18 - HD2 LYS 31 far 0 91 0 - 8.7-26.2 HA THR 25 - HD3 LYS 31 far 0 93 0 - 8.7-17.7 HA LYS 31 - HD2 LYS 19 far 0 77 0 - 8.9-27.5 HA LYS 31 - HD3 LYS 36 far 0 93 0 - 9.1-9.5 HA THR 18 - HD3 LYS 24 far 0 95 0 - 9.1-13.3 HA THR 25 - HD2 LYS 31 far 0 90 0 - 9.2-17.6 HA ALA 15 - HD3 LYS 31 far 0 94 0 - 9.4-29.3 HA LEU 22 - HD3 LYS 19 far 0 63 0 - 9.5-12.1 HA ARG 23 - HD2 LYS 36 far 0 99 0 - 9.5-19.6 HA THR 25 - HD2 LYS 19 far 0 86 0 - 9.6-17.8 HA LYS 19 - HD3 LYS 26 far 0 87 0 - 9.7-20.2 HA PHE 87 - HD3 LYS 95 far 0 77 0 - 9.7-12.5 HA TYR 76 - HD2 LYS 26 far 0 68 0 - 9.7-14.0 HA PHE 87 - HD3 LYS 19 far 0 72 0 - 9.9-41.0 HA PHE 87 - HD2 LYS 19 far 0 77 0 - 10.0-40.9 HA LYS 26 - HD3 LYS 19 far 0 69 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 1041 from aliabs.peaks (1.82, 1.66, 28.74 ppm; 3.43 A): 10 out of 62 assignments used, quality = 1.00: * HB2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 3.0-4.0 3.5=94, 1.8/1031=36...(84) HB2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-3.2 3.5=94, 1.8/1031=36...(73) HB3 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.1-3.7 3.5=92, 482/5.4=25...(38) HB3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.0-3.3 3.5=94, 6251/5.7=20...(80) HB3 LYS 24 + HD2 LYS 24 OK 95 100 95 100 2.5-4.2 3.5=92, 482/5.4=25...(38) HB3 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.0-3.2 3.5=94, 6251/5.7=20...(80) HB3 LYS 31 + HD2 LYS 31 OK 90 91 100 100 2.0-3.8 3.5=95, 6332/6.2=17...(71) HB3 LYS 31 + HD3 LYS 31 OK 89 94 95 100 2.1-4.1 3.5=95, 6332/6.2=17...(71) HB3 LYS 19 + HD2 LYS 19 OK 77 83 95 98 3.5-4.1 3.9=66, 6150/6.2=10...(79) HB3 LYS 19 + HD3 LYS 19 OK 49 77 65 98 3.3-4.2 3.9=66, 6150/6.2=10...(78) HB3 LYS 31 - HD3 LYS 26 far 9 94 10 - 3.5-10.7 HB ILE 32 - HD3 LYS 26 far 9 94 10 - 3.4-6.5 HB3 LYS 19 - HD3 LYS 31 far 4 90 5 - 3.0-23.2 HB3 LYS 19 - HD2 LYS 31 far 4 87 5 - 3.4-23.3 HB ILE 32 - HD2 LYS 26 far 0 94 0 - 4.2-5.1 HB3 ARG 23 - HD3 LYS 24 far 0 96 0 - 4.2-8.9 HB3 LYS 31 - HD2 LYS 26 far 0 94 0 - 4.7-11.2 HB3 ARG 23 - HD2 LYS 24 far 0 100 0 - 5.3-8.9 HB VAL 93 - HD3 LYS 95 far 0 81 0 - 5.6-8.6 HB ILE 32 - HD2 LYS 36 far 0 99 0 - 5.9-6.8 HB3 LYS 26 - HD2 LYS 31 far 0 92 0 - 5.9-12.3 HB2 LYS 36 - HD3 LYS 26 far 0 95 0 - 6.1-12.6 HB3 ARG 23 - HD3 LYS 26 far 0 95 0 - 6.3-14.3 HB2 LYS 36 - HD2 LYS 26 far 0 95 0 - 6.3-11.2 HB3 LYS 19 - HD3 LYS 24 far 0 91 0 - 6.4-14.8 HB VAL 93 - HD2 LYS 95 far 0 76 0 - 6.4-8.7 HB ILE 32 - HD3 LYS 31 far 0 93 0 - 6.5-9.3 HB3 ARG 23 - HD3 LYS 31 far 0 95 0 - 6.5-20.8 HB3 ARG 23 - HD2 LYS 26 far 0 95 0 - 6.5-13.3 HB ILE 32 - HD2 LYS 31 far 0 90 0 - 6.7-8.8 HB3 LYS 19 - HD2 LYS 24 far 0 97 0 - 6.8-14.4 HB3 LYS 26 - HD3 LYS 31 far 0 94 0 - 6.8-12.2 HB3 ARG 23 - HD2 LYS 31 far 0 92 0 - 7.3-22.1 HB ILE 32 - HD3 LYS 36 far 0 99 0 - 7.6-8.5 HB3 LYS 31 - HD3 LYS 19 far 0 81 0 - 8.1-26.2 HB2 LYS 36 - HD3 LYS 31 far 0 95 0 - 8.1-12.5 HB2 CYS 79 - HD3 LYS 19 far 0 73 0 - 8.3-33.8 HB2 LYS 36 - HD2 LYS 31 far 0 92 0 - 8.3-12.3 HB2 LYS 86 - HD3 LYS 19 far 0 55 0 - 8.4-38.5 HB3 LYS 31 - HD2 LYS 19 far 0 87 0 - 8.4-26.6 HB VAL 93 - HD3 LYS 19 far 0 76 0 - 8.4-40.5 HB3 ARG 23 - HD3 LYS 19 far 0 82 0 - 8.5-12.9 HB2 CYS 79 - HD2 LYS 24 far 0 95 0 - 8.5-26.0 HB2 CYS 79 - HD2 LYS 26 far 0 87 0 - 8.7-14.6 HB3 LYS 24 - HD3 LYS 26 far 0 95 0 - 8.7-11.3 HB3 LYS 24 - HD2 LYS 19 far 0 87 0 - 8.8-16.9 HB3 LYS 24 - HD2 LYS 26 far 0 95 0 - 8.8-11.0 HB3 ARG 23 - HD2 LYS 19 far 0 88 0 - 8.9-12.7 HB VAL 93 - HD2 LYS 19 far 0 81 0 - 9.3-40.8 HB3 LYS 31 - HD2 LYS 36 far 0 100 0 - 9.3-10.5 HB2 LYS 86 - HD2 LYS 19 far 0 60 0 - 9.3-38.4 HB3 LYS 26 - HD3 LYS 24 far 0 95 0 - 9.4-12.6 HB3 LYS 19 - HD3 LYS 26 far 0 91 0 - 9.5-20.2 HB3 LYS 19 - HD2 LYS 26 far 0 90 0 - 9.5-19.2 HB3 LYS 26 - HD2 LYS 36 far 0 100 0 - 9.7-12.7 HB2 CYS 79 - HD3 LYS 36 far 0 95 0 - 9.8-11.3 HB2 CYS 79 - HD2 LYS 36 far 0 94 0 - 9.8-11.7 HB3 LYS 24 - HD3 LYS 19 far 0 82 0 - 9.8-17.0 HB3 ARG 23 - HD2 LYS 36 far 0 100 0 - 9.9-20.6 HB2 CYS 79 - HD3 LYS 24 far 0 87 0 - 9.9-24.7 HB2 CYS 79 - HD2 LYS 19 far 0 79 0 - 9.9-33.8 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 10.0-22.7 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 10 assignments used, quality = 1.00: HB3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-3.1 3.5=100 * HB3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 3.3-4.0 3.5=100 HB3 LYS 36 - HD3 LYS 26 far 0 95 0 - 6.0-12.2 HB3 LYS 36 - HD2 LYS 26 far 0 95 0 - 6.5-10.6 HB2 ARG 90 - HD3 LYS 95 far 0 47 0 - 6.8-10.5 HB2 ARG 90 - HD3 LYS 19 far 0 43 0 - 7.5-40.1 HB2 ARG 90 - HD2 LYS 95 far 0 43 0 - 7.7-10.1 HB2 ARG 90 - HD2 LYS 19 far 0 47 0 - 8.0-40.1 HB3 LYS 36 - HD3 LYS 31 far 0 95 0 - 8.9-13.7 HB3 LYS 36 - HD2 LYS 31 far 0 92 0 - 8.9-13.1 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 80 assignments used, quality = 1.00: * HG2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.7-2.9 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 2.6-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.3-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.4-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 31 OK 94 94 100 100 2.2-3.0 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 2.2-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 85 85 100 100 2.5-3.0 2.9=100 HG2 LYS 19 + HD2 LYS 19 OK 83 83 100 100 2.2-2.7 3.0=100 HG3 LYS 95 + HD2 LYS 95 OK 81 81 100 100 2.3-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 79 79 100 100 2.3-3.0 2.9=100 HG2 LYS 19 + HD3 LYS 19 OK 77 77 100 100 2.3-3.0 3.0=100 QB ALA 29 - HD2 LYS 26 poor 19 95 20 - 2.5-6.4 QB ALA 29 - HD3 LYS 26 far 10 95 10 - 2.3-7.8 QB ALA 16 - HD2 LYS 19 far 8 81 10 - 3.5-7.5 HG2 LYS 19 - HD3 LYS 31 far 4 90 5 - 3.6-23.8 QB ALA 15 - HD2 LYS 19 far 4 88 5 - 3.8-10.9 QB ALA 15 - HD3 LYS 19 far 4 82 5 - 3.7-10.4 HG3 LYS 31 - HD3 LYS 26 far 0 94 0 - 4.1-12.0 QB ALA 16 - HD3 LYS 31 far 0 89 0 - 4.2-24.3 QB ALA 16 - HD3 LYS 19 far 0 76 0 - 4.2-7.8 QB ALA 12 - HD2 LYS 31 far 0 69 0 - 4.5-32.1 QB ALA 16 - HD2 LYS 31 far 0 86 0 - 4.6-24.2 QB ALA 28 - HD3 LYS 26 far 0 95 0 - 4.7-8.5 HG2 LYS 19 - HD2 LYS 31 far 0 87 0 - 4.9-23.9 QB ALA 28 - HD2 LYS 26 far 0 94 0 - 4.9-7.9 QB ALA 12 - HD3 LYS 31 far 0 72 0 - 5.2-32.1 HG3 LYS 31 - HD2 LYS 26 far 0 94 0 - 5.4-12.2 QB ALA 12 - HD3 LYS 95 far 0 65 0 - 5.5-31.9 QB ALA 12 - HD2 LYS 95 far 0 60 0 - 5.6-32.8 QB ALA 29 - HD2 LYS 36 far 0 100 0 - 6.1-9.0 HG3 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.6-10.5 HB2 LEU 96 - HD2 LYS 95 far 0 83 0 - 6.7-9.2 HG3 LYS 26 - HD3 LYS 31 far 0 95 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 92 0 - 6.9-14.3 HB2 LEU 96 - HD3 LYS 95 far 0 88 0 - 7.1-8.9 QB ALA 12 - HD3 LYS 19 far 0 59 0 - 7.4-17.7 HG LEU 96 - HD3 LYS 95 far 0 72 0 - 7.4-9.8 QB ALA 29 - HD3 LYS 36 far 0 100 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 92 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 94 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 87 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 91 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 81 0 - 7.7-26.9 QB ALA 15 - HD3 LYS 95 far 0 88 0 - 7.8-38.1 QB ALA 28 - HD3 LYS 31 far 0 94 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 95 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 100 0 - 7.9-11.7 HG LEU 96 - HD2 LYS 95 far 0 67 0 - 8.0-10.0 QB ALA 15 - HD2 LYS 95 far 0 82 0 - 8.0-39.2 QB ALA 28 - HD2 LYS 24 far 0 100 0 - 8.1-15.1 QB ALA 28 - HD2 LYS 31 far 0 91 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 65 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 97 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 87 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 95 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 95 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 80 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 95 0 - 8.6-22.7 QB ALA 16 - HD2 LYS 24 far 0 97 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 96 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 94 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 99 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 100 0 - 9.1-12.8 QB ALA 12 - HD3 LYS 36 far 0 81 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 95 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 95 0 - 9.2-24.7 HG2 LYS 24 - HD3 LYS 26 far 0 95 0 - 9.3-12.6 HG3 LYS 31 - HD2 LYS 24 far 0 100 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 91 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 81 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 95 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 100 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 95 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 91 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 92 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 90 0 - 9.9-17.6 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 40 assignments used, quality = 1.00: * HG3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.7-2.9 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.8-3.0 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 2.2-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 92 92 100 100 2.4-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 90 90 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 65 65 100 100 2.9-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 59 59 100 100 2.3-2.8 3.0=100 HG2 LYS 26 + HD3 LYS 26 OK 56 56 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HD2 LYS 26 OK 55 55 100 100 2.2-3.0 2.9=100 QB ALA 92 - HD2 LYS 95 poor 9 43 20 - 3.1-6.5 HG3 LYS 19 - HD3 LYS 31 far 4 72 5 - 3.5-23.9 HG2 LYS 31 - HD3 LYS 26 far 0 95 0 - 4.0-11.7 HG3 LYS 19 - HD2 LYS 31 far 0 69 0 - 4.2-23.7 QB ALA 92 - HD3 LYS 95 far 0 47 0 - 4.5-5.9 HG2 LYS 26 - HD3 LYS 31 far 0 55 0 - 5.1-14.0 HG2 LYS 26 - HD2 LYS 31 far 0 52 0 - 5.2-13.9 HG2 LYS 31 - HD2 LYS 26 far 0 95 0 - 5.7-12.1 HG3 LYS 86 - HD3 LYS 19 far 0 67 0 - 6.8-37.6 HG3 LYS 19 - HD3 LYS 24 far 0 73 0 - 7.6-15.9 HG3 LYS 86 - HD2 LYS 19 far 0 72 0 - 8.0-37.5 HG3 LYS 24 - HD2 LYS 19 far 0 81 0 - 8.0-16.0 HG2 LYS 31 - HD2 LYS 36 far 0 100 0 - 8.0-10.5 HG3 LYS 36 - HD3 LYS 26 far 0 95 0 - 8.3-14.1 HG2 LYS 26 - HD3 LYS 24 far 0 56 0 - 8.3-12.6 HG3 LYS 19 - HD2 LYS 24 far 0 81 0 - 8.4-15.6 HG2 LYS 31 - HD3 LYS 19 far 0 82 0 - 8.5-25.2 HG2 LYS 31 - HD2 LYS 19 far 0 88 0 - 8.5-25.7 HG3 LYS 36 - HD2 LYS 26 far 0 95 0 - 8.6-12.6 HG3 LYS 19 - HD3 LYS 26 far 0 73 0 - 9.0-20.4 HG2 LYS 31 - HD3 LYS 36 far 0 100 0 - 9.2-11.8 HG2 LYS 26 - HD2 LYS 36 far 0 63 0 - 9.2-12.8 HG3 LYS 24 - HD3 LYS 19 far 0 76 0 - 9.2-16.2 HG3 LYS 36 - HD3 LYS 31 far 0 95 0 - 9.4-14.3 HG2 LYS 26 - HD2 LYS 24 far 0 63 0 - 9.4-13.2 HG3 LYS 19 - HD2 LYS 26 far 0 72 0 - 9.5-19.8 HG3 LYS 36 - HD2 LYS 31 far 0 92 0 - 9.5-14.0 HG LEU 42 - HD3 LYS 36 far 0 63 0 - 9.6-10.7 HG3 LYS 24 - HD3 LYS 31 far 0 89 0 - 9.8-22.2 HG2 LYS 31 - HD2 LYS 24 far 0 100 0 - 10.0-23.6 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 66 assignments used, quality = 1.00: * HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.2-2.9 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 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 92 92 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD2 LYS 31 far 0 91 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 94 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 91 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 94 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 94 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 93 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 92 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 100 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 95 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 79 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 85 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 82 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 92 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 99 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 92 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 95 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 95 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 100 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 93 0 - 7.7-13.6 HB3 ASN 121 - HD3 LYS 95 far 0 72 0 - 7.9-10.8 HE2 LYS 31 - HD3 LYS 36 far 0 100 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 88 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 92 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 100 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 81 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 95 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 79 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 95 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 99 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 87 0 - 8.6-36.9 HB3 ASN 121 - HD2 LYS 95 far 0 67 0 - 8.7-10.6 HE3 LYS 24 - HD3 LYS 19 far 0 73 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 95 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 100 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 71 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 95 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 95 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 95 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 85 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 95 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 95 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 82 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 88 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 79 0 - 9.9-17.4 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 66 assignments used, quality = 1.00: HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 * HE3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.3-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.2-2.9 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 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 92 92 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.3-3.0 2.9=100 HE3 LYS 19 - HD2 LYS 31 far 0 91 0 - 5.6-26.9 HE3 LYS 19 - HD3 LYS 31 far 0 94 0 - 5.7-26.7 HE2 LYS 19 - HD2 LYS 31 far 0 91 0 - 6.1-25.3 HE2 LYS 19 - HD3 LYS 31 far 0 94 0 - 6.4-25.6 HE3 LYS 26 - HD3 LYS 31 far 0 94 0 - 6.4-15.3 HE3 LYS 31 - HD3 LYS 26 far 0 93 0 - 6.5-13.3 HE3 LYS 26 - HD2 LYS 31 far 0 92 0 - 6.6-14.7 HE2 LYS 26 - HD2 LYS 36 far 0 100 0 - 6.6-11.2 HE2 LYS 31 - HD3 LYS 26 far 0 95 0 - 6.7-13.3 HE3 LYS 31 - HD3 LYS 19 far 0 79 0 - 6.8-28.0 HE2 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.8-12.2 HE3 LYS 31 - HD2 LYS 19 far 0 85 0 - 7.0-28.4 HE2 LYS 31 - HD3 LYS 19 far 0 82 0 - 7.2-28.2 HE2 LYS 36 - HD2 LYS 31 far 0 92 0 - 7.3-12.7 HE3 LYS 31 - HD2 LYS 36 far 0 99 0 - 7.3-11.7 HE3 LYS 36 - HD2 LYS 31 far 0 92 0 - 7.4-12.7 HE2 LYS 36 - HD3 LYS 31 far 0 95 0 - 7.5-13.2 HE2 LYS 31 - HD2 LYS 26 far 0 95 0 - 7.6-13.7 HE2 LYS 26 - HD3 LYS 36 far 0 100 0 - 7.7-12.7 HE3 LYS 31 - HD2 LYS 26 far 0 93 0 - 7.7-13.6 HB3 ASN 121 - HD3 LYS 95 far 0 72 0 - 7.9-10.8 HE2 LYS 31 - HD3 LYS 36 far 0 100 0 - 8.1-13.3 HE2 LYS 31 - HD2 LYS 19 far 0 88 0 - 8.1-28.7 HE2 LYS 26 - HD2 LYS 31 far 0 92 0 - 8.1-13.6 HE3 LYS 26 - HD2 LYS 36 far 0 100 0 - 8.1-12.3 HE3 LYS 86 - HD3 LYS 19 far 0 81 0 - 8.2-37.0 HE2 LYS 26 - HD3 LYS 31 far 0 95 0 - 8.2-14.6 HE3 LYS 24 - HD2 LYS 19 far 0 79 0 - 8.3-16.4 HE3 LYS 36 - HD3 LYS 31 far 0 95 0 - 8.4-12.7 HE3 LYS 31 - HD3 LYS 36 far 0 99 0 - 8.4-12.7 HE3 LYS 86 - HD2 LYS 19 far 0 87 0 - 8.6-36.9 HB3 ASN 121 - HD2 LYS 95 far 0 67 0 - 8.7-10.6 HE3 LYS 24 - HD3 LYS 19 far 0 73 0 - 8.7-16.7 HE3 LYS 36 - HD2 LYS 26 far 0 95 0 - 8.9-13.2 HE3 LYS 26 - HD3 LYS 36 far 0 100 0 - 9.0-13.8 HB2 CYS 45 - HD3 LYS 36 far 0 71 0 - 9.0-10.7 HE3 LYS 26 - HD3 LYS 24 far 0 95 0 - 9.1-12.4 HE2 LYS 36 - HD2 LYS 26 far 0 95 0 - 9.3-12.9 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 9.4-12.6 HE3 LYS 36 - HD3 LYS 26 far 0 95 0 - 9.4-14.9 HE2 LYS 24 - HD2 LYS 19 far 0 85 0 - 9.5-16.9 HE3 LYS 19 - HD3 LYS 24 far 0 95 0 - 9.6-18.2 HE2 LYS 36 - HD3 LYS 26 far 0 95 0 - 9.8-14.4 HE3 LYS 26 - HD3 LYS 19 far 0 82 0 - 9.8-21.3 HE3 LYS 26 - HD2 LYS 19 far 0 88 0 - 9.9-21.6 HE2 LYS 24 - HD3 LYS 19 far 0 79 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 1051 from aliabs.peaks (4.28, 2.96, 41.80 ppm; 5.87 A): 15 out of 92 assignments used, quality = 1.00: HA LYS 36 + HE3 LYS 36 OK 100 100 100 100 5.0-6.5 6.0=95, 3.0/1064=46...(23) HA THR 25 + HE3 LYS 26 OK 99 99 100 100 3.5-5.7 11150/3.6=91, 9587=77...(7) HA THR 25 + HE2 LYS 26 OK 94 99 95 99 4.4-6.6 11150/3.6=91...(7) HA LYS 31 + HE2 LYS 31 OK 93 93 100 99 2.1-5.2 6.5=75, 822/3.7=33...(27) HA LYS 19 + HE2 LYS 19 OK 93 93 100 100 5.1-6.2 6.4=78, 271/3.8=32...(35) HA LYS 19 + HE3 LYS 19 OK 92 93 100 100 4.9-6.3 6.4=78, 271/3.8=32...(35) HA LYS 26 + HE2 LYS 26 OK 89 90 100 99 3.7-6.4 6.6=71, ~6255=29...(23) HA LYS 26 + HE3 LYS 26 OK 89 90 100 98 3.0-6.3 6.6=71, ~6255=29...(22) HA LYS 31 + HE3 LYS 31 OK 87 88 100 99 2.0-5.9 6.5=75, 822/3.7=33...(27) * HA LYS 36 + HE2 LYS 36 OK 80 100 80 100 5.2-6.5 6.0=95, 3.0/1064=45...(23) HA PHE 87 + HE3 LYS 86 OK 39 60 70 94 4.1-7.3 4.9/11332=47...(9) HA LEU 22 + HE2 LYS 24 OK 29 79 75 49 2.6-9.0 11967/4.0=15...(8) HA LEU 22 + HE3 LYS 24 OK 28 65 85 52 3.2-7.5 11967/4.0=15...(8) HA THR 18 + HE3 LYS 19 OK 28 99 30 94 5.2-8.0 ~10696=58, ~10692=55...(7) HA THR 18 + HE2 LYS 19 OK 23 99 25 95 5.5-8.1 ~10696=58, ~10692=55...(7) HA ALA 15 - HE2 LYS 19 poor 20 99 20 - 3.3-12.8 HA ALA 21 - HE3 LYS 24 poor 19 77 25 - 3.4-10.6 HA ARG 23 - HE2 LYS 24 poor 19 96 20 - 5.3-8.2 HA ARG 23 - HE3 LYS 24 poor 16 82 20 - 4.4-8.2 HA ARG 23 - HE3 LYS 26 far 15 99 15 - 5.5-9.8 HA LYS 36 - HE2 LYS 26 far 5 100 5 - 4.3-11.5 HA LYS 36 - HE3 LYS 26 far 5 100 5 - 5.8-13.1 HA ARG 23 - HE2 LYS 31 far 5 99 5 - 5.0-20.1 HA ALA 12 - HE2 LYS 19 far 5 99 5 - 6.0-22.2 HA SER 74 - HE3 LYS 19 far 5 99 5 - 5.2-36.6 HA SER 74 - HE2 LYS 19 far 5 99 5 - 5.8-36.2 HA ALA 12 - HE3 LYS 31 far 5 97 5 - 6.1-40.4 HA ARG 23 - HE3 LYS 31 far 5 96 5 - 5.8-19.4 HA THR 25 - HE2 LYS 24 far 5 96 5 - 6.4-9.3 HA LYS 31 - HE2 LYS 26 far 5 93 5 - 6.4-11.5 HA LYS 19 - HE2 LYS 24 far 4 89 5 - 5.8-13.5 HA LYS 19 - HE3 LYS 31 far 4 89 5 - 6.3-26.2 HA LYS 19 - HE3 LYS 24 far 4 75 5 - 5.0-13.6 HA ALA 16 - HE2 LYS 19 lone 4 97 45 8 2.4-9.8 11966/10705=2 HA ALA 16 - HE3 LYS 19 lone 3 97 45 7 2.8-10.3 11966/10705=1 HA ALA 21 - HE3 LYS 86 far 3 64 5 - 6.1-29.7 HA ALA 21 - HE2 LYS 24 lone 1 92 25 3 4.2-11.2 HA ALA 15 - HE3 LYS 19 lone 0 99 25 2 4.2-13.5 HA LEU 22 - HE3 LYS 26 far 0 84 0 - 6.5-14.0 HA ARG 23 - HE2 LYS 26 far 0 99 0 - 6.5-11.3 HA ALA 12 - HE3 LYS 19 far 0 99 0 - 6.5-22.7 HA THR 25 - HE3 LYS 24 far 0 82 0 - 6.6-9.1 HA THR 18 - HE3 LYS 24 far 0 83 0 - 6.6-13.8 HA LYS 31 - HE3 LYS 26 far 0 93 0 - 6.8-12.3 HA ALA 16 - HE2 LYS 31 far 0 99 0 - 6.9-30.4 HA LEU 22 - HE2 LYS 26 far 0 85 0 - 6.9-15.6 HA ALA 12 - HE2 LYS 31 far 0 100 0 - 7.0-40.4 HA LYS 19 - HE2 LYS 31 far 0 94 0 - 7.1-26.6 HA ALA 21 - HE3 LYS 31 far 0 92 0 - 7.2-25.5 HA PHE 87 - HE3 LYS 19 far 0 92 0 - 7.2-42.2 HA LYS 31 - HE3 LYS 36 far 0 93 0 - 7.4-9.6 HA LYS 26 - HE3 LYS 31 far 0 85 0 - 7.5-15.0 HA SER 74 - HE3 LYS 86 far 0 69 0 - 7.5-9.7 HA THR 18 - HE2 LYS 24 far 0 97 0 - 7.6-15.0 HA LYS 31 - HE2 LYS 36 far 0 93 0 - 7.6-9.8 HA ALA 21 - HE3 LYS 19 far 0 95 0 - 7.6-10.3 HA TYR 76 - HE3 LYS 86 far 0 46 0 - 7.6-9.7 HA LEU 22 - HE3 LYS 86 far 0 53 0 - 7.9-26.6 HA THR 18 - HE3 LYS 86 far 0 70 0 - 7.9-33.5 HA ALA 12 - HE3 LYS 86 far 0 70 0 - 8.1-39.4 HA THR 18 - HE3 LYS 26 far 0 100 0 - 8.2-19.3 HA LYS 26 - HE2 LYS 31 far 0 90 0 - 8.2-15.4 HA ALA 21 - HE2 LYS 31 far 0 96 0 - 8.2-26.1 HA THR 18 - HE3 LYS 31 far 0 97 0 - 8.3-28.4 HA ALA 16 - HE3 LYS 31 far 0 94 0 - 8.4-30.7 HA ALA 21 - HE3 LYS 26 far 0 96 0 - 8.4-15.9 HA ALA 15 - HE3 LYS 86 far 0 69 0 - 8.5-39.8 HA PHE 87 - HE2 LYS 19 far 0 92 0 - 8.5-42.1 HA LYS 26 - HE3 LYS 24 far 0 70 0 - 8.6-11.9 HA ALA 21 - HE2 LYS 19 far 0 95 0 - 8.7-10.4 HA LYS 31 - HE3 LYS 19 far 0 92 0 - 8.7-28.4 HA THR 25 - HE2 LYS 19 far 0 98 0 - 8.8-18.5 HA THR 25 - HE3 LYS 19 far 0 98 0 - 8.8-18.9 HA THR 18 - HE2 LYS 26 far 0 100 0 - 9.0-20.9 HA ALA 21 - HE2 LYS 26 far 0 96 0 - 9.0-17.3 HA ALA 15 - HE2 LYS 31 far 0 100 0 - 9.0-31.5 HA LEU 22 - HE3 LYS 31 far 0 79 0 - 9.0-24.6 HA ARG 23 - HE3 LYS 19 far 0 98 0 - 9.0-13.3 HA LEU 22 - HE2 LYS 31 far 0 85 0 - 9.1-24.1 HA TYR 76 - HE2 LYS 26 far 0 76 0 - 9.1-12.4 HA ARG 23 - HE2 LYS 19 far 0 98 0 - 9.2-14.1 HA LYS 26 - HE2 LYS 24 far 0 85 0 - 9.3-11.8 HA LYS 19 - HE3 LYS 86 far 0 62 0 - 9.3-33.7 HA ALA 16 - HE3 LYS 86 far 0 67 0 - 9.5-38.9 HA LEU 22 - HE3 LYS 19 far 0 83 0 - 9.5-13.0 HA LYS 19 - HE3 LYS 26 far 0 94 0 - 9.6-19.2 HA SER 74 - HE3 LYS 24 far 0 83 0 - 9.6-24.1 HA LYS 26 - HE2 LYS 19 far 0 89 0 - 9.6-18.3 HA THR 18 - HE2 LYS 31 far 0 100 0 - 9.7-28.5 HA LEU 22 - HE2 LYS 19 far 0 83 0 - 9.9-12.7 HA SER 74 - HE3 LYS 26 far 0 100 0 - 9.9-17.7 HA LYS 31 - HE2 LYS 19 far 0 92 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 1052 from aliabs.peaks (1.82, 2.96, 41.80 ppm; 5.89 A): 13 out of 63 assignments used, quality = 1.00: HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.8-4.2 4.9=100 * HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.5-4.5 4.9=100 HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 3.6-5.0 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.7-4.6 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-5.3 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.0-5.0 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.2-5.0 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 3.2-5.4 5.1=100 HB3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 3.3-5.4 5.1=100 HB ILE 32 + HE2 LYS 26 OK 94 99 95 100 4.9-6.6 2.1/10766=80...(43) HB3 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.4-4.6 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 46 46 100 100 1.8-3.6 4.9=100 HB ILE 32 + HE3 LYS 26 OK 25 99 25 100 4.6-7.5 ~10766=71, ~10840=71...(55) HB3 ARG 23 - HE2 LYS 24 far 15 97 15 - 4.7-9.9 HB3 ARG 23 - HE3 LYS 24 far 13 84 15 - 6.1-9.9 HB3 ARG 23 - HE2 LYS 26 far 10 100 10 - 4.6-12.5 HB3 LYS 31 - HE3 LYS 26 far 10 99 10 - 6.0-13.3 HB3 ARG 23 - HE3 LYS 26 far 5 100 5 - 3.7-11.8 HB2 LYS 36 - HE2 LYS 26 far 5 100 5 - 5.4-11.8 HB3 ARG 23 - HE2 LYS 31 far 5 100 5 - 6.2-23.1 HB3 LYS 31 - HE2 LYS 26 far 5 100 5 - 6.3-12.4 HB ILE 32 - HE2 LYS 31 far 5 99 5 - 6.3-10.3 HB3 LYS 19 - HE2 LYS 31 far 5 97 5 - 5.6-25.7 HB3 ARG 23 - HE3 LYS 31 far 5 97 5 - 6.4-22.1 HB3 LYS 19 - HE3 LYS 31 far 5 93 5 - 4.9-25.2 HB3 LYS 19 - HE3 LYS 24 far 4 78 5 - 5.6-14.9 HB3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.5-14.0 HB3 LYS 19 - HE2 LYS 24 far 0 93 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 62 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 67 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 99 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 65 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 96 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 74 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 100 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 95 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 97 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 99 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 95 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 97 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 99 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 99 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 93 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 74 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 64 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 94 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 70 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 99 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 100 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 99 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 99 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 96 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 94 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 70 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 93 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 75 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 1053 from aliabs.peaks (1.88, 2.96, 41.80 ppm; 6.08 A): 2 out of 10 assignments used, quality = 1.00: HB3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 3.1-4.7 4.9=100 * HB3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.2-4.8 4.9=100 HB3 LYS 36 - HE2 LYS 26 far 5 100 5 - 5.0-10.9 HB2 ARG 90 - HE3 LYS 86 lone 3 35 70 14 4.6-8.5 2794/9587=4...(3) HB2 ARG 90 - HE3 LYS 19 far 3 58 5 - 5.2-41.4 HB2 ARG 90 - HE2 LYS 19 far 3 58 5 - 6.4-41.3 HB3 LYS 36 - HE3 LYS 26 far 0 100 0 - 6.7-12.5 HB3 ARG 84 - HE3 LYS 86 far 0 51 0 - 8.0-10.2 HB3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.5-14.0 HB3 LYS 36 - HE3 LYS 31 far 0 97 0 - 9.4-12.9 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 72 assignments used, quality = 1.00: HG2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 3.1-4.2 4.0=100 * HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.1-4.1 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.3-3.8 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-3.4 3.6=100 HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-4.2 3.7=100 HG2 LYS 24 + HE2 LYS 24 OK 96 96 100 100 2.1-4.1 4.0=100 HG3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.0-4.0 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.1-4.1 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.8-3.7 3.8=100 HG2 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.0-4.2 4.0=100 QB ALA 15 - HE2 LYS 19 far 15 99 15 - 3.9-11.9 QB ALA 15 - HE3 LYS 19 far 15 99 15 - 4.1-12.5 QB ALA 29 - HE2 LYS 26 far 10 100 10 - 3.3-7.6 QB ALA 29 - HE3 LYS 26 far 10 100 10 - 4.1-8.3 QB ALA 16 - HE2 LYS 31 far 5 96 5 - 3.9-25.9 HG2 LYS 19 - HE3 LYS 31 far 5 93 5 - 4.6-26.0 QB ALA 12 - HE2 LYS 31 far 4 80 5 - 4.1-33.9 QB ALA 12 - HE3 LYS 31 far 4 75 5 - 3.6-33.9 QB ALA 16 - HE2 LYS 19 lone 1 95 40 4 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 1 95 35 3 2.7-9.0 QB ALA 16 - HE3 LYS 31 far 0 92 0 - 5.2-26.1 QB ALA 15 - HE3 LYS 86 far 0 70 0 - 5.8-32.2 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 97 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 100 0 - 6.1-9.5 HG3 LYS 31 - HE3 LYS 36 far 0 100 0 - 6.3-11.5 QB ALA 12 - HE2 LYS 19 far 0 79 0 - 6.4-19.1 QB ALA 12 - HE3 LYS 19 far 0 79 0 - 6.5-19.6 HG2 LYS 19 - HE3 LYS 24 far 0 78 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 100 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 65 0 - 6.8-34.9 QB ALA 29 - HE3 LYS 36 far 0 100 0 - 6.9-10.3 QB ALA 29 - HE2 LYS 36 far 0 100 0 - 7.1-9.7 HG2 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 100 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 100 0 - 7.5-22.4 QB ALA 29 - HE3 LYS 31 far 0 97 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.7-28.1 QB ALA 28 - HE2 LYS 31 far 0 100 0 - 7.8-11.0 QB ALA 28 - HE3 LYS 24 far 0 83 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 93 0 - 8.0-15.1 QB ALA 28 - HE3 LYS 31 far 0 96 0 - 8.0-11.2 QB ALA 12 - HE3 LYS 86 far 0 49 0 - 8.1-32.9 HG3 LYS 31 - HE2 LYS 24 far 0 96 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 100 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 100 0 - 8.3-23.7 HG3 LYS 26 - HE3 LYS 31 far 0 97 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 99 0 - 8.6-26.5 HG2 LYS 24 - HE3 LYS 26 far 0 100 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 97 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 96 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 100 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 99 0 - 9.1-20.4 QB ALA 16 - HE2 LYS 24 far 0 92 0 - 9.1-18.0 QB ALA 15 - HE2 LYS 31 far 0 100 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 99 0 - 9.3-15.5 QB ALA 12 - HE2 LYS 36 far 0 81 0 - 9.4-36.4 QB ALA 16 - HE3 LYS 86 far 0 64 0 - 9.6-34.1 HG2 LYS 36 - HE2 LYS 31 far 0 100 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 100 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 99 0 - 9.7-15.4 QB ALA 12 - HE3 LYS 36 far 0 81 0 - 9.7-37.6 HG3 LYS 26 - HE3 LYS 19 far 0 99 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 83 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 100 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 84 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 97 0 - 9.9-12.6 HG2 LYS 24 - HE3 LYS 31 far 0 96 0 - 10.0-22.2 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 40 assignments used, quality = 1.00: HG3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-3.5 4.0=100 * HG3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.0-3.5 4.0=100 HG2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-4.0 3.7=100 HG2 LYS 31 + HE3 LYS 31 OK 97 97 100 100 2.0-4.2 3.7=100 HG3 LYS 24 + HE2 LYS 24 OK 92 92 100 100 2.3-4.0 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 79 79 100 100 2.1-3.9 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 79 79 100 100 2.2-3.7 3.8=100 HG3 LYS 24 + HE3 LYS 24 OK 77 77 100 100 2.3-3.9 4.0=100 HG2 LYS 26 + HE2 LYS 26 OK 63 63 100 100 2.7-4.1 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 62 62 100 100 2.2-3.8 3.6=100 HG3 LYS 86 + HE3 LYS 86 OK 56 56 100 100 2.4-3.8 3.7=100 HG3 LYS 19 - HE3 LYS 31 far 4 75 5 - 4.4-25.7 HG3 LYS 86 - HE3 LYS 19 far 0 87 0 - 5.3-38.4 HG3 LYS 19 - HE2 LYS 31 far 0 80 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 49 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 100 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.5-13.4 HG2 LYS 26 - HE2 LYS 31 far 0 63 0 - 6.6-15.6 HG3 LYS 86 - HE2 LYS 19 far 0 87 0 - 6.8-38.4 HG2 LYS 26 - HE3 LYS 31 far 0 58 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 61 0 - 7.0-15.8 HG3 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.1-13.4 HG3 LYS 19 - HE3 LYS 26 far 0 80 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-12.4 HG3 LYS 19 - HE2 LYS 26 far 0 80 0 - 7.6-21.0 HG2 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.7-26.4 HG2 LYS 31 - HE2 LYS 36 far 0 100 0 - 8.0-11.8 HG2 LYS 31 - HE2 LYS 19 far 0 99 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 75 0 - 8.4-15.9 HG3 LYS 24 - HE3 LYS 19 far 0 95 0 - 8.6-17.0 HG3 LYS 36 - HE3 LYS 26 far 0 100 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 97 0 - 9.0-23.6 HG3 LYS 24 - HE2 LYS 19 far 0 95 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 96 0 - 9.3-11.4 QB ALA 92 - HE3 LYS 86 far 0 35 0 - 9.6-11.3 HG3 LYS 24 - HE2 LYS 26 far 0 96 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 97 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 64 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 63 0 - 9.8-14.5 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 74 assignments used, quality = 1.00: HD2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 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 2.3-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-2.9 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 2.3-3.0 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 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 94 94 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 92 92 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 80 80 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 68 68 100 100 2.8-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 66 66 100 100 2.4-2.9 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 97 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 98 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 98 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 97 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 98 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 88 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 90 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 93 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 42 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 70 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 97 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 100 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 60 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 48 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 76 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 63 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 73 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 100 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 69 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 90 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 69 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 97 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 93 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 95 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 88 0 - 9.9-17.4 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 74 assignments used, quality = 1.00: * HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HE2 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 2.2-2.9 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE3 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 24 + HE2 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 93 93 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 80 80 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 69 69 100 100 2.8-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 67 67 100 100 2.4-2.9 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 97 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 99 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 98 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 97 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 99 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 89 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 92 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 94 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 44 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 70 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 97 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 100 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 62 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 49 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 77 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 64 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 75 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 100 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 71 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 92 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 71 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 97 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 94 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 96 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 89 0 - 9.9-17.4 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): 15 out of 92 assignments used, quality = 1.00: * HA LYS 36 + HE3 LYS 36 OK 100 100 100 100 5.0-6.5 6.0=95, 3.0/1064=46...(23) HA THR 25 + HE3 LYS 26 OK 99 99 100 100 3.5-5.7 11150/3.6=91, 9587=77...(7) HA THR 25 + HE2 LYS 26 OK 94 99 95 99 4.4-6.6 11150/3.6=91...(7) HA LYS 31 + HE2 LYS 31 OK 93 93 100 99 2.1-5.2 6.5=75, 822/3.7=33...(27) HA LYS 19 + HE2 LYS 19 OK 93 93 100 100 5.1-6.2 6.4=78, 271/3.8=32...(35) HA LYS 19 + HE3 LYS 19 OK 92 93 100 100 4.9-6.3 6.4=78, 271/3.8=32...(35) HA LYS 26 + HE2 LYS 26 OK 89 90 100 99 3.7-6.4 6.6=71, ~6255=29...(23) HA LYS 26 + HE3 LYS 26 OK 89 90 100 98 3.0-6.3 6.6=71, ~6255=29...(22) HA LYS 31 + HE3 LYS 31 OK 87 88 100 99 2.0-5.9 6.5=75, 822/3.7=33...(27) HA LYS 36 + HE2 LYS 36 OK 80 100 80 100 5.2-6.5 6.0=95, 3.0/1064=45...(23) HA PHE 87 + HE3 LYS 86 OK 39 60 70 94 4.1-7.3 4.9/11332=47...(9) HA LEU 22 + HE2 LYS 24 OK 29 79 75 49 2.6-9.0 11967/4.0=15...(8) HA LEU 22 + HE3 LYS 24 OK 28 65 85 52 3.2-7.5 11967/4.0=15...(8) HA THR 18 + HE3 LYS 19 OK 28 99 30 94 5.2-8.0 ~10696=58, ~10692=55...(7) HA THR 18 + HE2 LYS 19 OK 23 99 25 95 5.5-8.1 ~10696=58, ~10692=55...(7) HA ALA 15 - HE2 LYS 19 poor 20 99 20 - 3.3-12.8 HA ALA 21 - HE3 LYS 24 poor 19 77 25 - 3.4-10.6 HA ARG 23 - HE2 LYS 24 poor 19 96 20 - 5.3-8.2 HA ARG 23 - HE3 LYS 24 poor 16 82 20 - 4.4-8.2 HA ARG 23 - HE3 LYS 26 far 15 99 15 - 5.5-9.8 HA LYS 36 - HE2 LYS 26 far 5 100 5 - 4.3-11.5 HA LYS 36 - HE3 LYS 26 far 5 100 5 - 5.8-13.1 HA ARG 23 - HE2 LYS 31 far 5 99 5 - 5.0-20.1 HA ALA 12 - HE2 LYS 19 far 5 99 5 - 6.0-22.2 HA SER 74 - HE3 LYS 19 far 5 99 5 - 5.2-36.6 HA SER 74 - HE2 LYS 19 far 5 99 5 - 5.8-36.2 HA ALA 12 - HE3 LYS 31 far 5 97 5 - 6.1-40.4 HA ARG 23 - HE3 LYS 31 far 5 96 5 - 5.8-19.4 HA THR 25 - HE2 LYS 24 far 5 96 5 - 6.4-9.3 HA LYS 31 - HE2 LYS 26 far 5 93 5 - 6.4-11.5 HA LYS 19 - HE2 LYS 24 far 4 89 5 - 5.8-13.5 HA LYS 19 - HE3 LYS 31 far 4 89 5 - 6.3-26.2 HA LYS 19 - HE3 LYS 24 far 4 75 5 - 5.0-13.6 HA ALA 16 - HE2 LYS 19 lone 4 97 45 8 2.4-9.8 11966/10705=2 HA ALA 16 - HE3 LYS 19 lone 3 97 45 7 2.8-10.3 11966/10705=1 HA ALA 21 - HE3 LYS 86 far 3 64 5 - 6.1-29.7 HA ALA 21 - HE2 LYS 24 lone 1 92 25 3 4.2-11.2 HA ALA 15 - HE3 LYS 19 lone 0 99 25 2 4.2-13.5 HA LEU 22 - HE3 LYS 26 far 0 84 0 - 6.5-14.0 HA ARG 23 - HE2 LYS 26 far 0 99 0 - 6.5-11.3 HA ALA 12 - HE3 LYS 19 far 0 99 0 - 6.5-22.7 HA THR 25 - HE3 LYS 24 far 0 82 0 - 6.6-9.1 HA THR 18 - HE3 LYS 24 far 0 83 0 - 6.6-13.8 HA LYS 31 - HE3 LYS 26 far 0 93 0 - 6.8-12.3 HA ALA 16 - HE2 LYS 31 far 0 99 0 - 6.9-30.4 HA LEU 22 - HE2 LYS 26 far 0 85 0 - 6.9-15.6 HA ALA 12 - HE2 LYS 31 far 0 100 0 - 7.0-40.4 HA LYS 19 - HE2 LYS 31 far 0 94 0 - 7.1-26.6 HA ALA 21 - HE3 LYS 31 far 0 92 0 - 7.2-25.5 HA PHE 87 - HE3 LYS 19 far 0 92 0 - 7.2-42.2 HA LYS 31 - HE3 LYS 36 far 0 93 0 - 7.4-9.6 HA LYS 26 - HE3 LYS 31 far 0 85 0 - 7.5-15.0 HA SER 74 - HE3 LYS 86 far 0 69 0 - 7.5-9.7 HA THR 18 - HE2 LYS 24 far 0 97 0 - 7.6-15.0 HA LYS 31 - HE2 LYS 36 far 0 93 0 - 7.6-9.8 HA ALA 21 - HE3 LYS 19 far 0 95 0 - 7.6-10.3 HA TYR 76 - HE3 LYS 86 far 0 46 0 - 7.6-9.7 HA LEU 22 - HE3 LYS 86 far 0 53 0 - 7.9-26.6 HA THR 18 - HE3 LYS 86 far 0 70 0 - 7.9-33.5 HA ALA 12 - HE3 LYS 86 far 0 70 0 - 8.1-39.4 HA THR 18 - HE3 LYS 26 far 0 100 0 - 8.2-19.3 HA LYS 26 - HE2 LYS 31 far 0 90 0 - 8.2-15.4 HA ALA 21 - HE2 LYS 31 far 0 96 0 - 8.2-26.1 HA THR 18 - HE3 LYS 31 far 0 97 0 - 8.3-28.4 HA ALA 16 - HE3 LYS 31 far 0 94 0 - 8.4-30.7 HA ALA 21 - HE3 LYS 26 far 0 96 0 - 8.4-15.9 HA ALA 15 - HE3 LYS 86 far 0 69 0 - 8.5-39.8 HA PHE 87 - HE2 LYS 19 far 0 92 0 - 8.5-42.1 HA LYS 26 - HE3 LYS 24 far 0 70 0 - 8.6-11.9 HA ALA 21 - HE2 LYS 19 far 0 95 0 - 8.7-10.4 HA LYS 31 - HE3 LYS 19 far 0 92 0 - 8.7-28.4 HA THR 25 - HE2 LYS 19 far 0 98 0 - 8.8-18.5 HA THR 25 - HE3 LYS 19 far 0 98 0 - 8.8-18.9 HA THR 18 - HE2 LYS 26 far 0 100 0 - 9.0-20.9 HA ALA 21 - HE2 LYS 26 far 0 96 0 - 9.0-17.3 HA ALA 15 - HE2 LYS 31 far 0 100 0 - 9.0-31.5 HA LEU 22 - HE3 LYS 31 far 0 79 0 - 9.0-24.6 HA ARG 23 - HE3 LYS 19 far 0 98 0 - 9.0-13.3 HA LEU 22 - HE2 LYS 31 far 0 85 0 - 9.1-24.1 HA TYR 76 - HE2 LYS 26 far 0 76 0 - 9.1-12.4 HA ARG 23 - HE2 LYS 19 far 0 98 0 - 9.2-14.1 HA LYS 26 - HE2 LYS 24 far 0 85 0 - 9.3-11.8 HA LYS 19 - HE3 LYS 86 far 0 62 0 - 9.3-33.7 HA ALA 16 - HE3 LYS 86 far 0 67 0 - 9.5-38.9 HA LEU 22 - HE3 LYS 19 far 0 83 0 - 9.5-13.0 HA LYS 19 - HE3 LYS 26 far 0 94 0 - 9.6-19.2 HA SER 74 - HE3 LYS 24 far 0 83 0 - 9.6-24.1 HA LYS 26 - HE2 LYS 19 far 0 89 0 - 9.6-18.3 HA THR 18 - HE2 LYS 31 far 0 100 0 - 9.7-28.5 HA LEU 22 - HE2 LYS 19 far 0 83 0 - 9.9-12.7 HA SER 74 - HE3 LYS 26 far 0 100 0 - 9.9-17.7 HA LYS 31 - HE2 LYS 19 far 0 92 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 1063 from aliabs.peaks (1.82, 2.96, 41.80 ppm; 5.89 A): 13 out of 63 assignments used, quality = 1.00: * HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.8-4.2 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.5-4.5 4.9=100 HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 3.6-5.0 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.7-4.6 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-5.3 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.0-5.0 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.2-5.0 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 3.2-5.4 5.1=100 HB3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 3.3-5.4 5.1=100 HB ILE 32 + HE2 LYS 26 OK 94 99 95 100 4.9-6.6 2.1/10766=80...(43) HB3 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.4-4.6 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 46 46 100 100 1.8-3.6 4.9=100 HB ILE 32 + HE3 LYS 26 OK 25 99 25 100 4.6-7.5 ~10766=71, ~10840=71...(55) HB3 ARG 23 - HE2 LYS 24 far 15 97 15 - 4.7-9.9 HB3 ARG 23 - HE3 LYS 24 far 13 84 15 - 6.1-9.9 HB3 ARG 23 - HE2 LYS 26 far 10 100 10 - 4.6-12.5 HB3 LYS 31 - HE3 LYS 26 far 10 99 10 - 6.0-13.3 HB3 ARG 23 - HE3 LYS 26 far 5 100 5 - 3.7-11.8 HB2 LYS 36 - HE2 LYS 26 far 5 100 5 - 5.4-11.8 HB3 ARG 23 - HE2 LYS 31 far 5 100 5 - 6.2-23.1 HB3 LYS 31 - HE2 LYS 26 far 5 100 5 - 6.3-12.4 HB ILE 32 - HE2 LYS 31 far 5 99 5 - 6.3-10.3 HB3 LYS 19 - HE2 LYS 31 far 5 97 5 - 5.6-25.7 HB3 ARG 23 - HE3 LYS 31 far 5 97 5 - 6.4-22.1 HB3 LYS 19 - HE3 LYS 31 far 5 93 5 - 4.9-25.2 HB3 LYS 19 - HE3 LYS 24 far 4 78 5 - 5.6-14.9 HB3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.5-14.0 HB3 LYS 19 - HE2 LYS 24 far 0 93 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.8-14.2 HB2 CYS 79 - HE3 LYS 86 far 0 62 0 - 6.9-10.0 HB2 ARG 84 - HE3 LYS 86 far 0 67 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 99 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 65 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 96 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 74 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 100 0 - 7.1-12.9 HB VAL 93 - HE3 LYS 19 far 0 95 0 - 7.2-42.1 HB3 LYS 19 - HE3 LYS 26 far 0 97 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 99 0 - 7.3-9.1 HB VAL 93 - HE2 LYS 19 far 0 95 0 - 7.5-41.7 HB3 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 100 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 97 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 99 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 99 0 - 8.2-25.8 HB2 CYS 79 - HE3 LYS 19 far 0 93 0 - 8.2-34.5 HB2 LYS 86 - HE2 LYS 19 far 0 74 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 100 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.5-13.7 HB VAL 93 - HE3 LYS 86 far 0 64 0 - 8.5-11.1 HB2 CYS 79 - HE2 LYS 26 far 0 94 0 - 8.6-13.1 HB3 ARG 23 - HE3 LYS 86 far 0 70 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 99 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 100 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 99 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 99 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 96 0 - 9.3-22.4 HB2 CYS 79 - HE3 LYS 26 far 0 94 0 - 9.3-14.5 HB3 LYS 31 - HE2 LYS 36 far 0 100 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 70 0 - 9.6-13.2 HB2 CYS 79 - HE2 LYS 19 far 0 93 0 - 9.8-34.2 HB2 CYS 79 - HE3 LYS 24 far 0 75 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 1064 from aliabs.peaks (1.88, 2.96, 41.80 ppm; 6.08 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 3.1-4.7 4.9=100 HB3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.2-4.8 4.9=100 HB3 LYS 36 - HE2 LYS 26 far 5 100 5 - 5.0-10.9 HB2 ARG 90 - HE3 LYS 86 lone 3 35 70 14 4.6-8.5 2794/9587=4...(3) HB2 ARG 90 - HE3 LYS 19 far 3 58 5 - 5.2-41.4 HB2 ARG 90 - HE2 LYS 19 far 3 58 5 - 6.4-41.3 HB3 LYS 36 - HE3 LYS 26 far 0 100 0 - 6.7-12.5 HB3 ARG 84 - HE3 LYS 86 far 0 51 0 - 8.0-10.2 HB3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.5-14.0 HB3 LYS 36 - HE3 LYS 31 far 0 97 0 - 9.4-12.9 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 72 assignments used, quality = 1.00: * HG2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 3.1-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.1-4.1 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.3-3.8 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-3.4 3.6=100 HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-4.2 3.7=100 HG2 LYS 24 + HE2 LYS 24 OK 96 96 100 100 2.1-4.1 4.0=100 HG3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.0-4.0 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.1-4.1 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.8-3.7 3.8=100 HG2 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.0-4.2 4.0=100 QB ALA 15 - HE2 LYS 19 far 15 99 15 - 3.9-11.9 QB ALA 15 - HE3 LYS 19 far 15 99 15 - 4.1-12.5 QB ALA 29 - HE2 LYS 26 far 10 100 10 - 3.3-7.6 QB ALA 29 - HE3 LYS 26 far 10 100 10 - 4.1-8.3 QB ALA 16 - HE2 LYS 31 far 5 96 5 - 3.9-25.9 HG2 LYS 19 - HE3 LYS 31 far 5 93 5 - 4.6-26.0 QB ALA 12 - HE2 LYS 31 far 4 80 5 - 4.1-33.9 QB ALA 12 - HE3 LYS 31 far 4 75 5 - 3.6-33.9 QB ALA 16 - HE2 LYS 19 lone 1 95 40 4 2.2-8.0 QB ALA 16 - HE3 LYS 19 lone 1 95 35 3 2.7-9.0 QB ALA 16 - HE3 LYS 31 far 0 92 0 - 5.2-26.1 QB ALA 15 - HE3 LYS 86 far 0 70 0 - 5.8-32.2 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.1-13.8 HG2 LYS 19 - HE2 LYS 31 far 0 97 0 - 6.1-26.2 HG3 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 100 0 - 6.1-9.5 HG3 LYS 31 - HE3 LYS 36 far 0 100 0 - 6.3-11.5 QB ALA 12 - HE2 LYS 19 far 0 79 0 - 6.4-19.1 QB ALA 12 - HE3 LYS 19 far 0 79 0 - 6.5-19.6 HG2 LYS 19 - HE3 LYS 24 far 0 78 0 - 6.5-14.6 HG3 LYS 31 - HE2 LYS 36 far 0 100 0 - 6.5-12.0 HG2 LYS 19 - HE3 LYS 86 far 0 65 0 - 6.8-34.9 QB ALA 29 - HE3 LYS 36 far 0 100 0 - 6.9-10.3 QB ALA 29 - HE2 LYS 36 far 0 100 0 - 7.1-9.7 HG2 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.3-12.6 QB ALA 29 - HE2 LYS 31 far 0 100 0 - 7.5-10.7 QB ALA 15 - HE3 LYS 26 far 0 100 0 - 7.5-22.4 QB ALA 29 - HE3 LYS 31 far 0 97 0 - 7.6-10.5 HG3 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.7-28.1 QB ALA 28 - HE2 LYS 31 far 0 100 0 - 7.8-11.0 QB ALA 28 - HE3 LYS 24 far 0 83 0 - 8.0-16.2 HG2 LYS 19 - HE2 LYS 24 far 0 93 0 - 8.0-15.1 QB ALA 28 - HE3 LYS 31 far 0 96 0 - 8.0-11.2 QB ALA 12 - HE3 LYS 86 far 0 49 0 - 8.1-32.9 HG3 LYS 31 - HE2 LYS 24 far 0 96 0 - 8.1-23.8 HG3 LYS 26 - HE2 LYS 31 far 0 100 0 - 8.2-16.1 QB ALA 15 - HE2 LYS 26 far 0 100 0 - 8.3-23.7 HG3 LYS 26 - HE3 LYS 31 far 0 97 0 - 8.6-15.9 HG3 LYS 31 - HE2 LYS 19 far 0 99 0 - 8.6-26.5 HG2 LYS 24 - HE3 LYS 26 far 0 100 0 - 8.7-11.5 HG2 LYS 19 - HE3 LYS 26 far 0 97 0 - 8.8-19.2 QB ALA 28 - HE2 LYS 24 far 0 96 0 - 8.9-15.9 HG2 LYS 36 - HE3 LYS 26 far 0 100 0 - 8.9-13.8 HG2 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.0-20.5 HG3 LYS 26 - HE2 LYS 19 far 0 99 0 - 9.1-20.4 QB ALA 16 - HE2 LYS 24 far 0 92 0 - 9.1-18.0 QB ALA 15 - HE2 LYS 31 far 0 100 0 - 9.1-26.5 HG2 LYS 24 - HE3 LYS 19 far 0 99 0 - 9.3-15.5 QB ALA 12 - HE2 LYS 36 far 0 81 0 - 9.4-36.4 QB ALA 16 - HE3 LYS 86 far 0 64 0 - 9.6-34.1 HG2 LYS 36 - HE2 LYS 31 far 0 100 0 - 9.6-15.0 HG2 LYS 24 - HE2 LYS 31 far 0 100 0 - 9.6-23.0 HG2 LYS 24 - HE2 LYS 19 far 0 99 0 - 9.7-15.4 QB ALA 12 - HE3 LYS 36 far 0 81 0 - 9.7-37.6 HG3 LYS 26 - HE3 LYS 19 far 0 99 0 - 9.7-21.0 HG3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.8-15.3 HG3 LYS 31 - HE3 LYS 24 far 0 83 0 - 9.8-23.3 HG2 LYS 24 - HE2 LYS 26 far 0 100 0 - 9.8-12.5 QB ALA 15 - HE3 LYS 24 far 0 84 0 - 9.9-19.3 HG3 LYS 26 - HE2 LYS 24 far 0 97 0 - 9.9-12.6 HG2 LYS 24 - HE3 LYS 31 far 0 96 0 - 10.0-22.2 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 40 assignments used, quality = 1.00: * HG3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-3.5 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.0-3.5 4.0=100 HG2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-4.0 3.7=100 HG2 LYS 31 + HE3 LYS 31 OK 97 97 100 100 2.0-4.2 3.7=100 HG3 LYS 24 + HE2 LYS 24 OK 92 92 100 100 2.3-4.0 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 79 79 100 100 2.1-3.9 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 79 79 100 100 2.2-3.7 3.8=100 HG3 LYS 24 + HE3 LYS 24 OK 77 77 100 100 2.3-3.9 4.0=100 HG2 LYS 26 + HE2 LYS 26 OK 63 63 100 100 2.7-4.1 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 62 62 100 100 2.2-3.8 3.6=100 HG3 LYS 86 + HE3 LYS 86 OK 56 56 100 100 2.4-3.8 3.7=100 HG3 LYS 19 - HE3 LYS 31 far 4 75 5 - 4.4-25.7 HG3 LYS 86 - HE3 LYS 19 far 0 87 0 - 5.3-38.4 HG3 LYS 19 - HE2 LYS 31 far 0 80 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 49 0 - 5.8-35.8 HG2 LYS 31 - HE3 LYS 26 far 0 100 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.5-13.4 HG2 LYS 26 - HE2 LYS 31 far 0 63 0 - 6.6-15.6 HG3 LYS 86 - HE2 LYS 19 far 0 87 0 - 6.8-38.4 HG2 LYS 26 - HE3 LYS 31 far 0 58 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 61 0 - 7.0-15.8 HG3 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.1-13.4 HG3 LYS 19 - HE3 LYS 26 far 0 80 0 - 7.3-20.0 HG2 LYS 31 - HE3 LYS 36 far 0 100 0 - 7.4-12.4 HG3 LYS 19 - HE2 LYS 26 far 0 80 0 - 7.6-21.0 HG2 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.7-26.4 HG2 LYS 31 - HE2 LYS 36 far 0 100 0 - 8.0-11.8 HG2 LYS 31 - HE2 LYS 19 far 0 99 0 - 8.4-24.8 HG3 LYS 19 - HE2 LYS 24 far 0 75 0 - 8.4-15.9 HG3 LYS 24 - HE3 LYS 19 far 0 95 0 - 8.6-17.0 HG3 LYS 36 - HE3 LYS 26 far 0 100 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 97 0 - 9.0-23.6 HG3 LYS 24 - HE2 LYS 19 far 0 95 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 96 0 - 9.3-11.4 QB ALA 92 - HE3 LYS 86 far 0 35 0 - 9.6-11.3 HG3 LYS 24 - HE2 LYS 26 far 0 96 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 97 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 64 0 - 9.8-26.1 HG2 LYS 26 - HE3 LYS 36 far 0 63 0 - 9.8-14.5 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 74 assignments used, quality = 1.00: * HD2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 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 2.3-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-2.9 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 2.3-3.0 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 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 94 94 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 92 92 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 80 80 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 68 68 100 100 2.8-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 66 66 100 100 2.4-2.9 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 97 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 98 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 98 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 97 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 98 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 88 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 90 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 93 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 42 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 70 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 97 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 100 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 60 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 48 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 76 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 63 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 73 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 100 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 69 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 90 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 69 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 97 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 93 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 95 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 88 0 - 9.9-17.4 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 74 assignments used, quality = 1.00: HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HE2 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 2.2-2.9 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE3 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 24 + HE2 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 93 93 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 80 80 100 100 2.3-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 69 69 100 100 2.8-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 67 67 100 100 2.4-2.9 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 97 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 99 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 98 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 97 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 100 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 99 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 100 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 99 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 100 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 89 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 100 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 92 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 94 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 44 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 99 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 97 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 70 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 100 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 100 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 100 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 97 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 100 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 100 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 62 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 100 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 49 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 77 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 97 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 64 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 75 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 100 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 100 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 71 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 100 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 92 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 71 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 97 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 100 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 94 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 96 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 89 0 - 9.9-17.4 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): 1 out of 2 assignments used, quality = 1.00: * HB ILE 37 + HA ILE 37 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 PRO 58 - HA SER 60 far 0 52 0 - 5.0-5.1 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 8 assignments used, quality = 1.00: * QG2 ILE 37 + HA ILE 37 OK 100 100 100 100 2.1-2.3 3.2=100 QG2 VAL 63 + HA SER 60 OK 39 45 100 88 1.8-2.9 2.1/2020=48...(12) QD1 LEU 62 - HA SER 60 far 0 50 0 - 6.2-6.8 QG1 VAL 105 - HA SER 60 far 0 54 0 - 7.6-8.3 QD1 LEU 119 - HA SER 60 far 0 70 0 - 7.9-9.1 QG1 VAL 57 - HA SER 60 far 0 68 0 - 8.1-8.6 QG2 VAL 112 - HA SER 60 far 0 65 0 - 8.1-9.3 QD1 LEU 49 - HA SER 60 far 0 48 0 - 9.9-10.6 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 2.7-3.4 1097=100, 2.1/1113=86...(27) HB3 LEU 43 - HA ILE 37 far 0 95 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 1077 from aliabs.peaks (1.55, 4.02, 61.09 ppm; 3.94 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 37 + HA ILE 37 OK 100 100 100 100 2.9-4.0 1105=100, 2.1/1113=88...(26) HG LEU 103 - HA SER 60 poor 13 70 50 38 3.8-5.5 10965/10978=17, 3389=8...(6) HB3 LEU 42 - HA ILE 37 far 0 97 0 - 4.8-5.9 HB2 LEU 103 - HA SER 60 far 0 47 0 - 6.7-8.1 HB2 LEU 119 - HA SER 60 far 0 67 0 - 9.2-10.6 Violated in 1 structures by 0.00 A. Peak 1078 from aliabs.peaks (0.77, 4.02, 61.09 ppm; 3.38 A): 1 out of 10 assignments used, quality = 1.00: * QD1 ILE 37 + HA ILE 37 OK 100 100 100 100 2.2-3.9 1113=100, 1094/1089=67...(28) QG1 VAL 63 - HA SER 60 far 3 61 5 - 4.0-4.3 QD1 LEU 103 - HA SER 60 far 0 63 0 - 4.4-6.2 QD2 LEU 119 - HA SER 60 far 0 50 0 - 5.9-7.1 QD2 LEU 122 - HA SER 60 far 0 55 0 - 7.0-10.1 QD2 LEU 49 - HA SER 60 far 0 36 0 - 8.3-8.7 QD1 LEU 53 - HA SER 60 far 0 43 0 - 8.6-10.7 QD2 LEU 43 - HA ILE 37 far 0 73 0 - 8.8-10.1 QD1 ILE 32 - HA ILE 37 far 0 100 0 - 9.6-10.4 QD1 LEU 96 - HA SER 60 far 0 70 0 - 9.8-10.4 Violated in 1 structures by 0.03 A. Peak 1081 from aliabs.peaks (4.02, 1.97, 37.79 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 37 + HB ILE 37 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 SER 38 - HB ILE 37 far 0 89 0 - 5.4-6.2 HD3 PRO 81 - HB ILE 37 far 0 90 0 - 7.5-9.1 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 1 assignment used, quality = 1.00: * QG2 ILE 37 + HB ILE 37 OK 100 100 100 100 2.1-2.1 2.1=100 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 2.4-2.7 2.9=100 HB3 LEU 43 - HB ILE 37 far 0 95 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 1085 from aliabs.peaks (1.55, 1.97, 37.79 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 37 + HB ILE 37 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LEU 42 - HB ILE 37 far 0 97 0 - 4.8-5.3 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 4 assignments used, quality = 1.00: * QD1 ILE 37 + HB ILE 37 OK 100 100 100 100 2.1-3.2 3.2=100 QD2 LEU 43 - HB ILE 37 far 0 73 0 - 8.3-10.0 QD1 ILE 32 - HB ILE 37 far 0 100 0 - 8.8-9.5 QG1 VAL 93 - HB ILE 37 far 0 87 0 - 9.8-10.5 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 5 assignments used, quality = 1.00: * HA ILE 37 + QG2 ILE 37 OK 100 100 100 100 2.1-2.3 3.2=75, 1113/1094=47...(31) HB2 SER 38 - QG2 ILE 37 far 0 89 0 - 4.3-4.8 HA GLN 68 - QG2 ILE 37 far 0 87 0 - 7.1-8.0 HD3 PRO 81 - QG2 ILE 37 far 0 90 0 - 7.1-8.1 HA GLU 44 - QG2 ILE 37 far 0 81 0 - 8.6-9.2 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; 3.27 A increased from 3.08 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + QG2 ILE 37 OK 100 100 100 100 3.1-3.2 3.2=100 HB3 LEU 43 - QG2 ILE 37 far 0 95 0 - 6.8-8.5 Violated in 0 structures by 0.00 A. Peak 1093 from aliabs.peaks (1.55, 0.93, 17.29 ppm; 3.00 A): 2 out of 3 assignments used, quality = 1.00: * HG13 ILE 37 + QG2 ILE 37 OK 100 100 100 100 2.2-2.6 3.2=83, 2.1/1094=70...(23) HB3 LEU 42 + QG2 ILE 37 OK 73 97 100 74 2.4-2.7 3.2/10821=32...(7) HG2 ARG 23 - QG2 ILE 37 far 0 98 0 - 9.9-21.3 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 8 assignments used, quality = 1.00: * QD1 ILE 37 + QG2 ILE 37 OK 100 100 100 100 1.8-2.5 1115=93, 2.1/1092=43...(31) QD2 LEU 43 - QG2 ILE 37 far 0 73 0 - 6.0-7.2 QG1 VAL 93 - QG2 ILE 37 far 0 87 0 - 7.3-8.1 QD2 LEU 96 - QG2 ILE 37 far 0 85 0 - 7.7-8.2 QD1 ILE 32 - QG2 ILE 37 far 0 100 0 - 8.6-9.3 QD1 LEU 96 - QG2 ILE 37 far 0 100 0 - 8.8-9.8 HG12 ILE 129 - QG2 ILE 37 far 0 78 0 - 9.3-11.1 QD2 LEU 49 - QG2 ILE 37 far 0 60 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 1097 from aliabs.peaks (4.02, 1.27, 27.60 ppm; 3.75 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 37 + HG12 ILE 37 OK 100 100 100 100 2.7-3.4 1076=92, 1113/2.1=83...(27) HB2 SER 38 - HG12 ILE 37 far 0 89 0 - 6.8-7.2 HD3 PRO 81 - HG12 ILE 37 far 0 90 0 - 9.8-11.5 HA GLN 68 - HG12 ILE 37 far 0 87 0 - 9.9-11.2 Violated in 0 structures by 0.00 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 2.4-2.7 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 1 assignment used, quality = 1.00: * QG2 ILE 37 + HG12 ILE 37 OK 100 100 100 100 3.1-3.2 3.2=100 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 3 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 0 97 0 - 6.5-7.0 HG2 ARG 23 - HG12 ILE 37 far 0 98 0 - 9.0-21.8 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 2 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 - 7.2-8.4 Violated in 0 structures by 0.00 A. Peak 1105 from aliabs.peaks (4.02, 1.55, 27.60 ppm; 3.97 A increased from 3.74 A): 1 out of 4 assignments used, quality = 0.99: * HA ILE 37 + HG13 ILE 37 OK 99 100 100 99 2.9-4.0 4.0=99 HB2 SER 38 - HG13 ILE 37 far 0 89 0 - 7.0-7.8 HA GLN 68 - HG13 ILE 37 far 0 87 0 - 8.6-10.3 HD3 PRO 81 - HG13 ILE 37 far 0 90 0 - 9.6-11.1 Violated in 0 structures by 0.00 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 2.3-3.0 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 1 assignment used, quality = 1.00: * QG2 ILE 37 + HG13 ILE 37 OK 100 100 100 100 2.2-2.6 3.2=100 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 1 assignment used, quality = 1.00: * HG12 ILE 37 + HG13 ILE 37 OK 100 100 100 100 1.8-1.8 1.8=100 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 5 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 0 100 0 - 8.1-9.8 QG1 VAL 93 - HG13 ILE 37 far 0 87 0 - 8.8-10.2 QD2 LEU 43 - HG13 ILE 37 far 0 73 0 - 9.4-11.1 QD2 LEU 96 - HG13 ILE 37 far 0 85 0 - 9.8-10.9 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 7 assignments used, quality = 0.95: * HA ILE 37 + QD1 ILE 37 OK 95 100 95 100 2.2-3.9 1078=79, 1089/1094=59...(28) HB2 SER 38 - QD1 ILE 37 far 0 89 0 - 5.6-7.2 HA GLN 68 - QD1 ILE 37 far 0 87 0 - 6.2-7.6 HA VAL 20 - QD1 ILE 32 far 0 37 0 - 8.2-16.2 HD3 PRO 81 - QD1 ILE 37 far 0 90 0 - 8.8-10.7 HA ILE 37 - QD1 ILE 32 far 0 76 0 - 9.6-10.4 HA VAL 20 - QD1 ILE 37 far 0 57 0 - 9.9-22.0 Violated in 1 structures by 0.04 A. Peak 1114 from aliabs.peaks (1.97, 0.77, 12.10 ppm; 3.36 A increased from 3.17 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 37 + QD1 ILE 37 OK 100 100 100 100 2.1-3.2 3.2=100 HB2 GLN 27 - QD1 ILE 32 far 4 75 5 - 3.7-6.4 HB ILE 37 - QD1 ILE 32 far 0 76 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 1115 from aliabs.peaks (0.93, 0.77, 12.10 ppm; 2.70 A): 1 out of 8 assignments used, quality = 1.00: * QG2 ILE 37 + QD1 ILE 37 OK 100 100 100 100 1.8-2.5 1094=100, 1092/2.1=46...(31) QG1 VAL 20 - QD1 ILE 32 far 0 45 0 - 6.3-15.3 QG1 VAL 20 - QD1 ILE 37 far 0 68 0 - 8.3-19.6 QG2 ILE 37 - QD1 ILE 32 far 0 76 0 - 8.6-9.3 QD1 LEU 48 - QD1 ILE 37 far 0 71 0 - 8.8-10.0 QD1 LEU 49 - QD1 ILE 37 far 0 78 0 - 9.1-9.7 QG1 VAL 126 - QD1 ILE 37 far 0 78 0 - 9.7-10.3 QG2 VAL 126 - QD1 ILE 37 far 0 63 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 1116 from aliabs.peaks (1.27, 0.77, 12.10 ppm; 2.90 A): 1 out of 3 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 - 7.2-8.4 HB3 LEU 43 - QD1 ILE 37 far 0 95 0 - 9.4-11.0 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 6 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 far 0 97 0 - 4.7-5.2 HG2 ARG 23 - QD1 ILE 32 far 0 72 0 - 6.4-13.7 HB2 LEU 22 - QD1 ILE 32 far 0 71 0 - 7.2-14.4 HG2 ARG 23 - QD1 ILE 37 far 0 98 0 - 7.2-19.1 HG13 ILE 37 - QD1 ILE 32 far 0 76 0 - 8.1-9.8 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): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 38 + HA SER 38 OK 100 100 100 100 2.9-3.0 3.0=100 HA ILE 37 - HA SER 38 far 0 89 0 - 4.5-4.5 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 2.2-2.7 3.0=100 HA ALA 34 - HA SER 38 far 0 100 0 - 7.3-7.7 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 2.9-3.0 3.0=100 HA TYR 72 - HB2 SER 38 far 0 100 0 - 8.4-9.3 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 2 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 - 8.4-9.2 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 2.2-2.7 3.0=100 HA TYR 72 - HB3 SER 38 far 0 100 0 - 9.2-10.0 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 2 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 far 0 89 0 - 4.3-5.6 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 2 assignments used, quality = 1.00: * HB2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.3-2.7 3.0=100 HB ILE 80 - HA LYS 39 far 0 65 0 - 8.3-9.0 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 2.9-3.0 3.0=100 HG3 PRO 81 - HA LYS 39 far 0 60 0 - 5.8-7.9 HG3 GLN 134 - HA LYS 39 far 0 100 0 - 6.7-8.7 HB2 PRO 81 - HA LYS 39 far 0 89 0 - 7.7-8.8 HB3 GLU 44 - HA LYS 39 far 0 99 0 - 7.8-8.7 HB3 GLN 82 - HA LYS 39 far 0 97 0 - 9.5-12.9 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 2.6-3.6 4.0=100 HG3 LYS 39 + HA LYS 39 OK 68 68 100 100 2.3-2.9 4.0=100 QG1 VAL 132 - HA LYS 39 far 0 99 0 - 8.5-9.1 QG2 VAL 132 - HA LYS 39 far 0 100 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 1140 from aliabs.peaks (1.16, 3.40, 59.63 ppm; 4.58 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.3-2.9 4.0=100 HG2 LYS 39 + HA LYS 39 OK 68 68 100 100 2.6-3.6 4.0=100 QB ALA 41 - HA LYS 39 poor 20 92 25 87 5.0-5.4 3.7/6479=48, ~6466=28...(7) QG2 VAL 132 - HA LYS 39 far 0 81 0 - 8.5-9.5 QG2 VAL 77 - HA LYS 39 far 0 71 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 1141 from aliabs.peaks (1.68, 3.40, 59.63 ppm; 5.21 A increased from 4.91 A): 2 out of 3 assignments used, quality = 1.00: * HD2 LYS 39 + HA LYS 39 OK 100 100 100 100 4.0-5.1 5.3=96, 1.8/1205=82...(11) HB2 LEU 43 + HA LYS 39 OK 53 71 75 99 4.4-6.2 3.2/9119=70, 3.2/9122=60...(26) HG2 ARG 135 - HA LYS 39 far 0 76 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 1142 from aliabs.peaks (1.71, 3.40, 59.63 ppm; 4.96 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 39 + HA LYS 39 OK 100 100 100 100 4.1-4.9 1205=87, 1204/2.8=59...(11) HB2 LEU 43 + HA LYS 39 OK 73 97 75 99 4.4-6.2 3.2/9119=64, 3.2/9122=54...(26) HB ILE 80 - HA LYS 39 far 0 78 0 - 8.3-9.0 HG2 ARG 135 - HA LYS 39 far 0 96 0 - 9.7-11.6 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 3 assignments used, quality = 1.00: * HE2 LYS 39 + HA LYS 39 OK 100 100 100 100 3.7-4.8 5.9=100 HE3 LYS 39 + HA LYS 39 OK 100 100 100 100 4.8-5.9 5.9=100 HB2 CYS 45 - HA LYS 39 far 0 99 0 - 8.5-8.9 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 3 assignments used, quality = 1.00: HE2 LYS 39 + HA LYS 39 OK 100 100 100 100 3.7-4.8 5.9=100 * HE3 LYS 39 + HA LYS 39 OK 100 100 100 100 4.8-5.9 5.9=100 HB2 CYS 45 - HA LYS 39 far 0 99 0 - 8.5-8.9 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 3 assignments used, quality = 1.00: H LEU 43 + HA LYS 39 OK 100 100 100 100 3.4-3.8 6494=100, 1338/10870=90...(19) * 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 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 1146 from aliabs.peaks (7.49, 3.40, 59.63 ppm; 6.30 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HA LYS 39 OK 100 100 100 100 3.6-3.9 6479=100, 1331/10870=88...(12) H GLN 134 - HA LYS 39 poor 20 100 20 99 6.6-7.5 4250/10578=89...(5) 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 2 assignments used, quality = 1.00: * HB2 LEU 42 + HA LYS 39 OK 100 100 100 100 3.0-3.3 1.8/1148=85...(8) HG2 LYS 36 - HA LYS 39 far 0 99 0 - 9.7-10.1 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 2 assignments used, quality = 1.00: * HB3 LEU 42 + HA LYS 39 OK 100 100 100 100 4.1-4.8 1.8/1147=74...(7) HG13 ILE 37 - HA LYS 39 far 0 97 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 1150 from aliabs.peaks (3.40, 1.76, 32.42 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-2.7 3.0=100 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 11 assignments used, quality = 1.00: * HB3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 81 - HB2 LYS 39 far 3 60 5 - 4.0-7.0 HB3 GLN 27 - HB2 LYS 31 far 0 42 0 - 4.8-9.6 HB3 GLN 27 - HB2 LYS 26 far 0 52 0 - 5.4-7.6 HB2 PRO 81 - HB2 LYS 39 far 0 89 0 - 5.8-9.2 HG3 GLN 134 - HB2 LYS 39 far 0 100 0 - 6.6-9.1 HB3 GLN 27 - HB2 LYS 24 far 0 48 0 - 7.3-13.3 HB3 GLN 82 - HB2 LYS 39 far 0 97 0 - 8.1-11.8 HB3 GLU 44 - HB2 LYS 39 far 0 99 0 - 8.3-10.2 HB2 PRO 81 - HB2 LYS 19 far 0 43 0 - 8.7-37.2 HB3 GLN 27 - HB2 LYS 19 far 0 46 0 - 9.3-22.7 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 7 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.2-3.0 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 26 OK 25 46 55 97 4.0-7.2 10767/3.5=39, ~10751=25...(27) HG12 ILE 32 - HB2 LYS 31 poor 15 37 40 - 4.3-6.4 HG12 ILE 32 - HB2 LYS 24 far 0 43 0 - 7.9-14.0 QG1 VAL 132 - HB2 LYS 39 far 0 99 0 - 8.3-9.9 QG2 VAL 132 - HB2 LYS 39 far 0 100 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 1154 from aliabs.peaks (1.16, 1.76, 32.42 ppm; 4.11 A): 5 out of 17 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 2.2-3.0 2.9=100 QG2 THR 18 + HB2 LYS 19 OK 52 54 100 95 3.4-3.9 6147/3.9=54...(12) QG2 THR 25 + HB2 LYS 24 OK 46 47 100 99 2.5-4.5 10697/1.8=83...(8) HG12 ILE 32 + HB2 LYS 26 OK 23 60 40 97 4.0-7.2 10767/3.5=43, 913/1.8=28...(28) QG2 THR 25 - HB2 LYS 26 poor 10 50 20 - 4.2-6.0 HG12 ILE 32 - HB2 LYS 31 poor 10 49 20 - 4.3-6.4 QG2 THR 25 - HB2 LYS 19 far 2 44 5 - 3.8-15.3 QG2 THR 25 - HB2 LYS 31 far 0 41 0 - 5.6-12.3 QG2 THR 18 - HB2 LYS 24 far 0 57 0 - 5.9-12.9 QB ALA 41 - HB2 LYS 39 far 0 92 0 - 6.2-6.8 QG2 VAL 77 - HB2 LYS 19 far 0 32 0 - 6.8-30.6 QG2 THR 18 - HB2 LYS 31 far 0 50 0 - 7.3-21.6 HG12 ILE 32 - HB2 LYS 24 far 0 55 0 - 7.9-14.0 QG2 VAL 132 - HB2 LYS 39 far 0 81 0 - 8.9-10.7 QG2 VAL 77 - HB2 LYS 39 far 0 71 0 - 9.1-11.0 QG2 THR 18 - HB2 LYS 26 far 0 61 0 - 9.2-16.4 Violated in 0 structures by 0.00 A. Peak 1155 from aliabs.peaks (1.68, 1.76, 32.42 ppm; 4.74 A): 8 out of 33 assignments used, quality = 1.00: * HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.6-3.7 3.6=100 HD3 LYS 26 + HB2 LYS 26 OK 49 49 100 100 2.3-3.9 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 45 45 100 100 2.1-4.0 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 44 44 100 100 2.6-4.2 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 2.6-3.7 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 31 31 100 100 2.1-4.2 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 26 26 100 100 2.2-3.2 3.9=100 HD3 LYS 26 - HB2 LYS 31 poor 8 40 20 - 2.1-9.6 HD2 LYS 26 - HB2 LYS 31 poor 7 36 20 - 3.7-10.0 HB2 LEU 43 - HB2 LYS 39 far 4 71 5 - 4.1-7.6 HD3 LYS 31 - HB2 LYS 19 far 2 38 5 - 4.6-25.0 HD2 LYS 31 - HB2 LYS 19 far 2 34 5 - 5.2-25.0 HD2 LYS 31 - HB2 LYS 26 far 0 38 0 - 5.4-13.3 HD3 LYS 31 - HB2 LYS 26 far 0 43 0 - 6.1-13.8 HD2 LYS 86 - HB2 LYS 19 far 0 35 0 - 6.5-34.1 HD3 LYS 86 - HB2 LYS 19 far 0 31 0 - 7.1-35.0 HD2 LYS 19 - HB2 LYS 24 far 0 28 0 - 7.3-16.3 HD3 LYS 24 - HB2 LYS 19 far 0 31 0 - 7.9-15.5 HD3 LYS 26 - HB2 LYS 24 far 0 45 0 - 7.9-11.0 HD2 LYS 24 - HB2 LYS 19 far 0 42 0 - 8.2-15.2 HD2 LYS 36 - HB2 LYS 31 far 0 40 0 - 8.4-9.8 HD3 LYS 24 - HB2 LYS 26 far 0 35 0 - 8.4-11.9 HD2 LYS 26 - HB2 LYS 24 far 0 41 0 - 8.6-11.1 HD2 LYS 24 - HB2 LYS 31 far 0 38 0 - 8.8-21.3 HG2 ARG 135 - HB2 LYS 39 far 0 76 0 - 8.9-11.0 HB2 LEU 70 - HB2 LYS 24 far 0 31 0 - 8.9-26.6 HD2 LYS 19 - HB2 LYS 31 far 0 24 0 - 9.2-25.0 HD3 LYS 24 - HB2 LYS 31 far 0 28 0 - 9.4-20.4 HD2 LYS 24 - HB2 LYS 26 far 0 48 0 - 9.6-12.5 HD3 LYS 36 - HB2 LYS 31 far 0 38 0 - 9.7-11.4 HD3 LYS 31 - HB2 LYS 24 far 0 40 0 - 9.9-20.2 HD2 LYS 31 - HB2 LYS 24 far 0 35 0 - 9.9-20.7 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 7 assignments used, quality = 1.00: * HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.2-3.8 3.6=100 HB2 LEU 43 - HB2 LYS 39 far 5 97 5 - 4.1-7.6 HG3 ARG 90 - HB2 LYS 19 far 0 34 0 - 7.1-36.8 HB ILE 80 - HB2 LYS 19 far 0 36 0 - 7.8-36.2 HB ILE 80 - HB2 LYS 39 far 0 78 0 - 8.3-10.8 HG2 ARG 135 - HB2 LYS 39 far 0 96 0 - 8.9-11.0 HB2 LEU 70 - HB2 LYS 24 far 0 55 0 - 8.9-26.6 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 25 assignments used, quality = 1.00: * HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.1-4.7 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.6-5.2 4.9=100 HE3 LYS 24 + HB2 LYS 24 OK 44 44 100 100 2.2-5.4 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 35 35 100 100 3.6-5.5 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 31 31 100 100 3.0-5.1 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 29 29 100 100 2.5-4.5 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 29 29 100 100 2.9-4.6 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 29 29 100 100 4.2-5.5 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 23 23 100 100 2.4-5.5 4.8=100 HE2 LYS 26 - HB2 LYS 31 far 3 23 15 - 4.9-11.4 HE3 LYS 31 - HB2 LYS 19 far 0 34 0 - 6.4-27.0 HE3 LYS 31 - HB2 LYS 26 far 0 38 0 - 6.6-15.7 HE3 LYS 24 - HB2 LYS 19 far 0 42 0 - 6.8-15.7 HE2 LYS 31 - HB2 LYS 26 far 0 29 0 - 6.8-15.8 HE2 LYS 31 - HB2 LYS 19 far 0 25 0 - 7.3-27.4 HE3 LYS 19 - HB2 LYS 24 far 0 31 0 - 7.5-17.7 HE2 LYS 24 - HB2 LYS 19 far 0 34 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 31 0 - 7.8-17.5 HE3 LYS 19 - HB2 LYS 31 far 0 27 0 - 7.9-25.8 HE3 LYS 86 - HB2 LYS 19 far 0 31 0 - 8.3-35.8 HE2 LYS 26 - HB2 LYS 24 far 0 26 0 - 8.3-10.9 HE2 LYS 24 - HB2 LYS 31 far 0 31 0 - 8.4-21.1 HE2 LYS 19 - HB2 LYS 31 far 0 27 0 - 8.4-24.2 HE2 LYS 26 - HB2 LYS 19 far 0 25 0 - 9.3-21.9 HE3 LYS 24 - HB2 LYS 31 far 0 38 0 - 9.9-21.4 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 25 assignments used, quality = 1.00: HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.1-4.7 4.9=100 * HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.6-5.2 4.9=100 HE3 LYS 24 + HB2 LYS 24 OK 44 44 100 100 2.2-5.4 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 35 35 100 100 3.6-5.5 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 31 31 100 100 3.0-5.1 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 29 29 100 100 2.5-4.5 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 29 29 100 100 2.9-4.6 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 29 29 100 100 4.2-5.5 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 23 23 100 100 2.4-5.5 4.8=100 HE2 LYS 26 - HB2 LYS 31 far 3 23 15 - 4.9-11.4 HE3 LYS 31 - HB2 LYS 19 far 0 34 0 - 6.4-27.0 HE3 LYS 31 - HB2 LYS 26 far 0 38 0 - 6.6-15.7 HE3 LYS 24 - HB2 LYS 19 far 0 42 0 - 6.8-15.7 HE2 LYS 31 - HB2 LYS 26 far 0 29 0 - 6.8-15.8 HE2 LYS 31 - HB2 LYS 19 far 0 25 0 - 7.3-27.4 HE3 LYS 19 - HB2 LYS 24 far 0 31 0 - 7.5-17.7 HE2 LYS 24 - HB2 LYS 19 far 0 34 0 - 7.8-15.4 HE2 LYS 19 - HB2 LYS 24 far 0 31 0 - 7.8-17.5 HE3 LYS 19 - HB2 LYS 31 far 0 27 0 - 7.9-25.8 HE3 LYS 86 - HB2 LYS 19 far 0 31 0 - 8.3-35.8 HE2 LYS 26 - HB2 LYS 24 far 0 26 0 - 8.3-10.9 HE2 LYS 24 - HB2 LYS 31 far 0 31 0 - 8.4-21.1 HE2 LYS 19 - HB2 LYS 31 far 0 27 0 - 8.4-24.2 HE2 LYS 26 - HB2 LYS 19 far 0 25 0 - 9.3-21.9 HE3 LYS 24 - HB2 LYS 31 far 0 38 0 - 9.9-21.4 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 2.9-3.0 3.0=100 HA LYS 39 - HB2 PRO 81 far 0 88 0 - 7.7-8.8 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 6 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 0 88 0 - 5.8-9.2 HB ILE 80 - HB2 PRO 81 far 0 52 0 - 6.9-7.1 HB2 LYS 19 - HB2 PRO 81 far 0 69 0 - 8.7-37.2 HB2 ARG 23 - HB2 PRO 81 far 0 83 0 - 8.8-30.0 HB ILE 80 - HB3 LYS 39 far 0 65 0 - 9.8-11.0 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): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 39 + HB3 LYS 39 OK 68 68 100 100 2.6-3.0 2.9=100 HG2 LYS 39 - HB2 PRO 81 far 0 88 0 - 6.0-9.5 HG3 LYS 39 - HB2 PRO 81 far 0 54 0 - 7.3-9.0 QG1 VAL 132 - HB2 PRO 81 far 0 86 0 - 7.8-9.6 QG1 VAL 132 - HB3 LYS 39 far 0 99 0 - 9.7-10.5 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 6 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.6-3.0 2.9=100 HG2 LYS 39 + HB3 LYS 39 OK 68 68 100 100 2.3-3.0 2.9=100 QB ALA 41 - HB3 LYS 39 far 0 92 0 - 5.9-6.2 HG2 LYS 39 - HB2 PRO 81 far 0 54 0 - 6.0-9.5 HG3 LYS 39 - HB2 PRO 81 far 0 88 0 - 7.3-9.0 QG2 VAL 77 - HB2 PRO 81 far 0 56 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 1166 from aliabs.peaks (1.68, 2.08, 32.42 ppm; 4.86 A): 1 out of 6 assignments used, quality = 1.00: * HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.1-3.7 3.6=100 HB2 LEU 43 - HB3 LYS 39 poor 18 71 25 - 4.8-7.1 HD2 LYS 39 - HB2 PRO 81 far 0 88 0 - 6.7-9.5 HG2 ARG 135 - HB2 PRO 81 far 0 61 0 - 8.6-11.6 HD2 LYS 86 - HB2 PRO 81 far 0 61 0 - 9.1-11.5 HD3 LYS 86 - HB2 PRO 81 far 0 54 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 1167 from aliabs.peaks (1.71, 2.08, 32.42 ppm; 4.10 A): 1 out of 6 assignments used, quality = 1.00: * HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.4-3.6 3.6=100 HB2 LEU 43 - HB3 LYS 39 far 0 97 0 - 4.8-7.1 HD3 LYS 39 - HB2 PRO 81 far 0 88 0 - 5.7-9.1 HB ILE 80 - HB2 PRO 81 far 0 63 0 - 6.9-7.1 HG2 ARG 135 - HB2 PRO 81 far 0 81 0 - 8.6-11.6 HB ILE 80 - HB3 LYS 39 far 0 78 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 1168 from aliabs.peaks (2.93, 2.08, 32.42 ppm; 5.24 A): 2 out of 7 assignments used, quality = 1.00: HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.9-5.0 4.9=100 * HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.4-4.6 4.9=100 HE2 LYS 39 - HB2 PRO 81 far 0 88 0 - 6.6-11.0 HE3 LYS 39 - HB2 PRO 81 far 0 88 0 - 6.8-10.7 HE3 LYS 86 - HB2 PRO 81 far 0 54 0 - 7.8-12.0 HE3 LYS 19 - HB2 PRO 81 far 0 52 0 - 7.8-39.2 HE2 LYS 19 - HB2 PRO 81 far 0 52 0 - 8.6-39.1 Violated in 0 structures by 0.00 A. Peak 1169 from aliabs.peaks (2.93, 2.08, 32.42 ppm; 5.24 A): 2 out of 7 assignments used, quality = 1.00: * HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.9-5.0 4.9=100 HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.4-4.6 4.9=100 HE2 LYS 39 - HB2 PRO 81 far 0 88 0 - 6.6-11.0 HE3 LYS 39 - HB2 PRO 81 far 0 88 0 - 6.8-10.7 HE3 LYS 86 - HB2 PRO 81 far 0 54 0 - 7.8-12.0 HE3 LYS 19 - HB2 PRO 81 far 0 52 0 - 7.8-39.2 HE2 LYS 19 - HB2 PRO 81 far 0 52 0 - 8.6-39.1 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 2.6-3.6 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 2.2-3.0 2.9=100 HB ILE 80 - HG2 LYS 39 far 0 65 0 - 8.2-11.5 Violated in 0 structures by 0.00 A. Peak 1174 from aliabs.peaks (2.08, 1.14, 24.15 ppm; 4.33 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 PRO 81 - HG2 LYS 39 poor 18 60 30 - 3.7-9.0 HG3 GLN 134 - HG2 LYS 39 far 0 100 0 - 5.2-8.3 HB2 PRO 81 - HG2 LYS 39 far 0 89 0 - 6.0-9.5 HB3 GLN 82 - HG2 LYS 39 far 0 97 0 - 7.6-13.2 HB3 GLU 44 - HG2 LYS 39 far 0 99 0 - 7.7-10.6 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): 2 out of 3 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 OK 31 71 45 97 3.7-6.9 ~11901=43, ~11073=35...(30) HG2 ARG 135 - HG2 LYS 39 far 0 76 0 - 7.6-11.6 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 2.2-3.0 3.0=100 HB2 LEU 43 + HG2 LYS 39 OK 43 97 45 97 3.7-6.9 ~11901=45, ~11073=36...(31) HG2 ARG 135 - HG2 LYS 39 far 0 96 0 - 7.6-11.6 HB ILE 80 - HG2 LYS 39 far 0 78 0 - 8.2-11.5 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 4 assignments used, quality = 1.00: * HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.5-3.5 4.0=100 HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.7-4.1 4.0=100 HD2 ARG 135 - HG2 LYS 39 far 0 100 0 - 9.2-12.8 HB2 CYS 45 - HG2 LYS 39 far 0 99 0 - 9.9-11.7 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 4 assignments used, quality = 1.00: HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.5-3.5 4.0=100 * HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.7-4.1 4.0=100 HD2 ARG 135 - HG2 LYS 39 far 0 100 0 - 9.2-12.8 HB2 CYS 45 - HG2 LYS 39 far 0 99 0 - 9.9-11.7 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 3 assignments used, quality = 1.00: * H GLU 40 + HG2 LYS 39 OK 100 100 100 100 2.7-5.1 1159/2.9=100...(15) H LEU 43 + HG2 LYS 39 OK 100 100 100 100 4.4-6.3 6494/4.0=82...(13) H ASP 131 - HG2 LYS 39 far 0 92 0 - 8.8-10.8 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 2.3-2.9 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 2 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 - 8.4-10.2 Violated in 0 structures by 0.00 A. Peak 1185 from aliabs.peaks (2.08, 1.16, 24.15 ppm; 4.73 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.6-3.0 2.9=100 HG3 GLN 134 - HG3 LYS 39 far 5 100 5 - 4.4-6.7 HG3 PRO 81 - HG3 LYS 39 far 3 60 5 - 5.0-7.8 HB2 PRO 81 - HG3 LYS 39 far 0 89 0 - 7.3-9.0 HB3 GLU 44 - HG3 LYS 39 far 0 99 0 - 8.3-9.8 HB3 GLN 82 - HG3 LYS 39 far 0 97 0 - 8.5-12.5 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 3 assignments used, quality = 1.00: * HD2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 43 + HG3 LYS 39 OK 56 71 80 99 3.8-5.7 3.2/11901=72...(32) HG2 ARG 135 - HG3 LYS 39 far 0 76 0 - 8.2-10.3 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 2.4-3.0 3.0=100 HB2 LEU 43 + HG3 LYS 39 OK 87 97 90 99 3.8-5.7 3.2/11901=79...(32) HG2 ARG 135 - HG3 LYS 39 far 0 96 0 - 8.2-10.3 HB ILE 80 - HG3 LYS 39 far 0 78 0 - 8.4-10.2 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 4 assignments used, quality = 1.00: * HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-2.5 4.0=100 HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.7-3.5 4.0=100 HD2 ARG 135 - HG3 LYS 39 far 0 100 0 - 9.3-11.4 HB2 CYS 45 - HG3 LYS 39 far 0 99 0 - 9.6-10.7 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 4 assignments used, quality = 1.00: HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-2.5 4.0=100 * HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.7-3.5 4.0=100 HD2 ARG 135 - HG3 LYS 39 far 0 100 0 - 9.3-11.4 HB2 CYS 45 - HG3 LYS 39 far 0 99 0 - 9.6-10.7 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 3 assignments used, quality = 1.00: * H GLU 40 + HG3 LYS 39 OK 100 100 100 100 3.9-4.8 1159/2.9=95, 6451/2.9=95...(16) H LEU 43 + HG3 LYS 39 OK 100 100 100 100 3.9-5.3 6509/11901=93...(15) H ASP 131 - HG3 LYS 39 far 0 92 0 - 8.2-9.1 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 4.0-5.1 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 1 assignment used, quality = 1.00: * HB2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.6-3.7 3.6=100 Violated in 0 structures by 0.00 A. Peak 1196 from aliabs.peaks (2.08, 1.68, 29.61 ppm; 4.23 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.1-3.7 3.6=100 HG3 GLN 134 - HD2 LYS 39 far 5 100 5 - 4.1-8.1 HG3 PRO 81 - HD2 LYS 39 far 0 60 0 - 5.3-8.3 HB2 PRO 81 - HD2 LYS 39 far 0 89 0 - 6.7-9.5 HB3 GLU 44 - HD2 LYS 39 far 0 99 0 - 8.2-10.9 HB3 GLN 82 - HD2 LYS 39 far 0 97 0 - 8.5-13.7 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 2.4-3.0 3.0=100 QG1 VAL 132 - HD2 LYS 39 far 0 99 0 - 9.2-10.5 QG2 VAL 132 - HD2 LYS 39 far 0 100 0 - 9.4-10.5 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 4 assignments used, quality = 1.00: * HG3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 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 0 92 0 - 6.2-8.5 QG2 VAL 132 - HD2 LYS 39 far 0 81 0 - 9.4-10.5 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 3 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 - 4.5-6.7 HG2 ARG 135 - HD2 LYS 39 far 0 96 0 - 8.2-11.0 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 2 assignments used, quality = 1.00: HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 * HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.5-3.0 2.9=100 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 2 assignments used, quality = 1.00: * HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.5-3.0 2.9=100 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 4.1-4.9 5.3=95, 2.8/1204=65...(12) 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 2.2-3.8 3.6=100 HB ILE 80 - HD3 LYS 39 far 0 65 0 - 8.9-11.9 Violated in 0 structures by 0.00 A. Peak 1207 from aliabs.peaks (2.08, 1.71, 29.61 ppm; 4.11 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.4-3.6 3.6=100 HG3 PRO 81 - HD3 LYS 39 far 9 60 15 - 3.7-7.5 HG3 GLN 134 - HD3 LYS 39 far 0 100 0 - 4.8-7.9 HB2 PRO 81 - HD3 LYS 39 far 0 89 0 - 5.7-9.1 HB3 GLN 82 - HD3 LYS 39 far 0 97 0 - 7.1-13.0 HB3 GLU 44 - HD3 LYS 39 far 0 99 0 - 9.0-11.9 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 2.2-3.0 3.0=100 HG3 LYS 39 + HD3 LYS 39 OK 68 68 100 100 2.4-3.0 3.0=100 QG1 VAL 132 - HD3 LYS 39 far 0 99 0 - 8.2-10.0 QG2 VAL 132 - HD3 LYS 39 far 0 100 0 - 8.9-10.5 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 5 assignments used, quality = 1.00: * HG3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 39 + HD3 LYS 39 OK 68 68 100 100 2.2-3.0 3.0=100 QB ALA 41 - HD3 LYS 39 far 0 92 0 - 7.4-8.8 QG2 VAL 132 - HD3 LYS 39 far 0 81 0 - 8.9-10.5 QG2 VAL 77 - HD3 LYS 39 far 0 71 0 - 9.9-12.1 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 3 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 - 4.5-7.6 HG2 ARG 135 - HD3 LYS 39 far 0 76 0 - 7.7-10.1 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 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 2.6-3.0 2.9=100 HD2 ARG 135 - HD3 LYS 39 far 0 100 0 - 9.0-12.2 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 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 2.6-3.0 2.9=100 HD2 ARG 135 - HD3 LYS 39 far 0 100 0 - 9.0-12.2 Violated in 0 structures by 0.00 A. Peak 1216 from aliabs.peaks (3.40, 2.93, 41.80 ppm; 4.84 A increased from 4.56 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HE2 LYS 39 OK 99 100 100 99 3.7-4.8 1205/2.9=61, 5.9=56...(15) HA LYS 39 + HE3 LYS 39 OK 44 100 45 99 4.8-5.9 1205/2.9=61, 5.9=56...(14) Violated in 0 structures by 0.00 A. Peak 1217 from aliabs.peaks (1.76, 2.93, 41.80 ppm; 6.80 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.1-4.7 4.9=100 HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 3.6-5.2 4.9=100 HB2 LYS 24 + HE3 LYS 24 OK 50 50 100 100 2.2-5.4 5.1=100 HB2 ARG 23 - HE3 LYS 24 poor 12 61 20 - 6.2-9.9 HB2 LYS 19 - HE3 LYS 24 far 2 49 5 - 6.8-15.7 HB ILE 80 - HE2 LYS 39 far 0 65 0 - 8.4-12.1 HB ILE 80 - HE3 LYS 39 far 0 65 0 - 9.7-12.5 HB2 LYS 31 - HE3 LYS 24 far 0 49 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 1218 from aliabs.peaks (2.08, 2.93, 41.80 ppm; 6.80 A): 6 out of 13 assignments used, quality = 1.00: HB3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.9-5.0 4.9=100 * HB3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 3.4-4.6 4.9=100 HG3 GLN 134 + HE2 LYS 39 OK 100 100 100 100 2.3-6.6 10599/10571=68...(14) HG3 GLN 134 + HE3 LYS 39 OK 100 100 100 100 3.4-5.7 10602=52, 10602/1.8=48...(14) HG3 PRO 81 + HE2 LYS 39 OK 39 60 95 68 4.6-9.3 10144/4.0=33...(6) HG3 PRO 81 + HE3 LYS 39 OK 36 60 95 63 5.1-8.9 10144/4.0=33, ~10239=16...(6) HB3 GLN 82 - HE2 LYS 39 poor 19 97 20 - 7.0-14.5 HB2 PRO 81 - HE2 LYS 39 poor 8 89 30 28 6.6-11.0 3.0/10239=18, ~10239=10 HB2 PRO 81 - HE3 LYS 39 poor 6 89 25 27 6.8-10.7 ~10239=15, 3.0/10239=12 HB3 GLU 44 - HE2 LYS 39 far 5 99 5 - 6.8-11.1 HB3 GLN 82 - HE3 LYS 39 lone 1 97 25 3 6.9-13.8 HB3 GLU 44 - HE3 LYS 39 far 0 99 0 - 8.4-12.0 HB3 GLN 27 - HE3 LYS 24 far 0 55 0 - 9.5-16.4 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 8 assignments used, quality = 1.00: * HG2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.5-3.5 4.0=100 HG2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.7-4.1 4.0=100 HG3 LYS 39 + HE2 LYS 39 OK 68 68 100 100 2.0-2.5 4.0=100 HG3 LYS 39 + HE3 LYS 39 OK 68 68 100 100 2.7-3.5 4.0=100 QG1 VAL 132 - HE2 LYS 39 far 0 99 0 - 7.5-9.9 QG1 VAL 132 - HE3 LYS 39 far 0 99 0 - 7.6-9.7 QG2 VAL 132 - HE2 LYS 39 far 0 100 0 - 7.7-9.4 QG2 VAL 132 - HE3 LYS 39 far 0 100 0 - 8.1-9.9 Violated in 0 structures by 0.00 A. Peak 1220 from aliabs.peaks (1.16, 2.93, 41.80 ppm; 5.49 A): 4 out of 11 assignments used, quality = 1.00: * HG3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.0-2.5 4.0=100 HG3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.7-3.5 4.0=100 HG2 LYS 39 + HE2 LYS 39 OK 68 68 100 100 2.5-3.5 4.0=100 HG2 LYS 39 + HE3 LYS 39 OK 68 68 100 100 2.7-4.1 4.0=100 QG2 THR 25 - HE3 LYS 24 poor 19 53 35 - 5.3-7.6 QG2 THR 18 - HE3 LYS 24 far 0 65 0 - 6.2-12.1 QB ALA 41 - HE2 LYS 39 far 0 92 0 - 6.4-8.8 QG2 VAL 132 - HE2 LYS 39 far 0 81 0 - 7.7-9.4 QB ALA 41 - HE3 LYS 39 far 0 92 0 - 7.8-9.7 QG2 VAL 132 - HE3 LYS 39 far 0 81 0 - 8.1-9.9 QG2 VAL 77 - HE2 LYS 39 far 0 71 0 - 9.2-11.7 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 9 assignments used, quality = 1.00: HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 * HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.5-3.0 2.9=100 HB2 LEU 43 + HE2 LYS 39 OK 71 71 100 100 2.3-7.0 3.2/9123=53, 3.2/9120=50...(18) HB2 LEU 43 + HE3 LYS 39 OK 67 71 95 100 3.6-7.5 ~9123=47, 3.2/9123=46...(18) HD2 LYS 24 + HE3 LYS 24 OK 50 50 100 100 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 37 37 100 100 2.3-3.0 3.0=100 HG2 ARG 135 - HE2 LYS 39 poor 20 76 70 38 6.6-10.2 5.0/7985=24...(3) HG2 ARG 135 - HE3 LYS 39 poor 17 76 75 31 6.5-9.2 5.0/7985=19...(3) HD2 LYS 19 - HE3 LYS 24 far 0 32 0 - 8.3-16.4 Violated in 0 structures by 0.00 A. Peak 1222 from aliabs.peaks (1.71, 2.93, 41.80 ppm; 6.80 A): 5 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 100 100 100 100 2.6-3.0 2.9=100 HB2 LEU 43 + HE2 LYS 39 OK 97 97 100 100 2.3-7.0 3.2/9123=53, 3.2/9120=50...(17) HB2 LEU 43 + HE3 LYS 39 OK 92 97 95 100 3.6-7.5 ~9123=47, 3.2/9123=46...(17) HG2 ARG 135 + HE2 LYS 39 OK 23 96 70 35 6.6-10.2 7983/7985=27...(3) HG2 ARG 135 - HE3 LYS 39 poor 20 96 75 28 6.5-9.2 7983/7985=21...(3) HB ILE 80 - HE2 LYS 39 far 0 78 0 - 8.4-12.1 HB ILE 80 - HE3 LYS 39 far 0 78 0 - 9.7-12.5 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; 4.84 A increased from 4.56 A): 2 out of 2 assignments used, quality = 1.00: HA LYS 39 + HE2 LYS 39 OK 99 100 100 99 3.7-4.8 1205/2.9=61, 5.9=56...(15) * HA LYS 39 + HE3 LYS 39 OK 44 100 45 99 4.8-5.9 1205/2.9=61, 5.9=56...(14) Violated in 0 structures by 0.00 A. Peak 1228 from aliabs.peaks (1.76, 2.93, 41.80 ppm; 6.80 A): 3 out of 8 assignments used, quality = 1.00: HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.1-4.7 4.9=100 * HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 3.6-5.2 4.9=100 HB2 LYS 24 + HE3 LYS 24 OK 50 50 100 100 2.2-5.4 5.1=100 HB2 ARG 23 - HE3 LYS 24 poor 12 61 20 - 6.2-9.9 HB2 LYS 19 - HE3 LYS 24 far 2 49 5 - 6.8-15.7 HB ILE 80 - HE2 LYS 39 far 0 65 0 - 8.4-12.1 HB ILE 80 - HE3 LYS 39 far 0 65 0 - 9.7-12.5 HB2 LYS 31 - HE3 LYS 24 far 0 49 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 1229 from aliabs.peaks (2.08, 2.93, 41.80 ppm; 6.80 A): 6 out of 13 assignments used, quality = 1.00: * HB3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.9-5.0 4.9=100 HB3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 3.4-4.6 4.9=100 HG3 GLN 134 + HE2 LYS 39 OK 100 100 100 100 2.3-6.6 10599/10571=68...(14) HG3 GLN 134 + HE3 LYS 39 OK 100 100 100 100 3.4-5.7 10602=52, 10602/1.8=48...(14) HG3 PRO 81 + HE2 LYS 39 OK 39 60 95 68 4.6-9.3 10144/4.0=33...(6) HG3 PRO 81 + HE3 LYS 39 OK 36 60 95 63 5.1-8.9 10144/4.0=33, ~10239=16...(6) HB3 GLN 82 - HE2 LYS 39 poor 19 97 20 - 7.0-14.5 HB2 PRO 81 - HE2 LYS 39 poor 8 89 30 28 6.6-11.0 3.0/10239=18, ~10239=10 HB2 PRO 81 - HE3 LYS 39 poor 6 89 25 27 6.8-10.7 ~10239=15, 3.0/10239=12 HB3 GLU 44 - HE2 LYS 39 far 5 99 5 - 6.8-11.1 HB3 GLN 82 - HE3 LYS 39 lone 1 97 25 3 6.9-13.8 HB3 GLU 44 - HE3 LYS 39 far 0 99 0 - 8.4-12.0 HB3 GLN 27 - HE3 LYS 24 far 0 55 0 - 9.5-16.4 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 8 assignments used, quality = 1.00: HG2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.5-3.5 4.0=100 * HG2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.7-4.1 4.0=100 HG3 LYS 39 + HE2 LYS 39 OK 68 68 100 100 2.0-2.5 4.0=100 HG3 LYS 39 + HE3 LYS 39 OK 68 68 100 100 2.7-3.5 4.0=100 QG1 VAL 132 - HE2 LYS 39 far 0 99 0 - 7.5-9.9 QG1 VAL 132 - HE3 LYS 39 far 0 99 0 - 7.6-9.7 QG2 VAL 132 - HE2 LYS 39 far 0 100 0 - 7.7-9.4 QG2 VAL 132 - HE3 LYS 39 far 0 100 0 - 8.1-9.9 Violated in 0 structures by 0.00 A. Peak 1231 from aliabs.peaks (1.16, 2.93, 41.80 ppm; 5.49 A): 4 out of 11 assignments used, quality = 1.00: HG3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.0-2.5 4.0=100 * HG3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.7-3.5 4.0=100 HG2 LYS 39 + HE2 LYS 39 OK 68 68 100 100 2.5-3.5 4.0=100 HG2 LYS 39 + HE3 LYS 39 OK 68 68 100 100 2.7-4.1 4.0=100 QG2 THR 25 - HE3 LYS 24 poor 19 53 35 - 5.3-7.6 QG2 THR 18 - HE3 LYS 24 far 0 65 0 - 6.2-12.1 QB ALA 41 - HE2 LYS 39 far 0 92 0 - 6.4-8.8 QG2 VAL 132 - HE2 LYS 39 far 0 81 0 - 7.7-9.4 QB ALA 41 - HE3 LYS 39 far 0 92 0 - 7.8-9.7 QG2 VAL 132 - HE3 LYS 39 far 0 81 0 - 8.1-9.9 QG2 VAL 77 - HE2 LYS 39 far 0 71 0 - 9.2-11.7 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 9 assignments used, quality = 1.00: * HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.5-3.0 2.9=100 HB2 LEU 43 + HE2 LYS 39 OK 71 71 100 100 2.3-7.0 3.2/9123=53, 3.2/9120=50...(18) HB2 LEU 43 + HE3 LYS 39 OK 67 71 95 100 3.6-7.5 ~9123=47, 3.2/9123=46...(18) HD2 LYS 24 + HE3 LYS 24 OK 50 50 100 100 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 37 37 100 100 2.3-3.0 3.0=100 HG2 ARG 135 - HE2 LYS 39 poor 20 76 70 38 6.6-10.2 5.0/7985=24...(3) HG2 ARG 135 - HE3 LYS 39 poor 17 76 75 31 6.5-9.2 5.0/7985=19...(3) HD2 LYS 19 - HE3 LYS 24 far 0 32 0 - 8.3-16.4 Violated in 0 structures by 0.00 A. Peak 1233 from aliabs.peaks (1.71, 2.93, 41.80 ppm; 6.80 A): 5 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 100 100 100 100 2.6-3.0 2.9=100 HB2 LEU 43 + HE2 LYS 39 OK 97 97 100 100 2.3-7.0 3.2/9123=53, 3.2/9120=50...(17) HB2 LEU 43 + HE3 LYS 39 OK 92 97 95 100 3.6-7.5 ~9123=47, 3.2/9123=46...(17) HG2 ARG 135 + HE2 LYS 39 OK 23 96 70 35 6.6-10.2 7983/7985=27...(3) HG2 ARG 135 - HE3 LYS 39 poor 20 96 75 28 6.5-9.2 7983/7985=21...(3) HB ILE 80 - HE2 LYS 39 far 0 78 0 - 8.4-12.1 HB ILE 80 - HE3 LYS 39 far 0 78 0 - 9.7-12.5 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 2 assignments used, quality = 1.00: * H GLU 40 + HA GLU 40 OK 100 100 100 100 2.8-2.9 2.8=100 H LEU 43 + HA GLU 40 OK 100 100 100 100 3.5-3.9 6506/1245=78...(15) 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 1 assignment used, quality = 1.00: * HB2 GLU 40 + HA GLU 40 OK 100 100 100 100 2.4-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 1240 from aliabs.peaks (2.02, 3.83, 59.43 ppm; 3.65 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 40 + HA GLU 40 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 GLU 44 - HA GLU 40 far 0 100 0 - 5.8-6.6 HB2 GLN 134 - HA GLU 40 far 0 100 0 - 8.3-10.1 HG3 PRO 81 - HA GLU 40 far 0 63 0 - 9.3-11.8 HG2 PRO 81 - HA GLU 40 far 0 92 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 1241 from aliabs.peaks (2.29, 3.83, 59.43 ppm; 3.99 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 40 + HA GLU 40 OK 100 100 100 100 2.5-3.7 3.9=100 HG2 GLU 44 + HA GLU 40 OK 41 68 85 70 3.9-5.3 4.8/6514=35, 9065/4.9=22...(8) 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 2.4-3.6 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 2 assignments used, quality = 1.00: H GLU 40 + HA GLU 40 OK 100 100 100 100 2.8-2.9 2.8=100 * H LEU 43 + HA GLU 40 OK 100 100 100 100 3.5-3.9 6506/1245=78...(15) Violated in 0 structures by 0.00 A. Peak 1245 from aliabs.peaks (1.70, 3.83, 59.43 ppm; 4.21 A): 1 out of 4 assignments used, quality = 0.99: * HB2 LEU 43 + HA GLU 40 OK 99 100 100 99 2.4-3.9 3.2/9055=61, 1.8/1246=53...(16) HD3 LYS 39 - HA GLU 40 far 15 97 15 - 3.9-7.6 HD2 LYS 39 - HA GLU 40 poor 14 71 20 - 3.0-6.3 HG LEU 48 - HA GLU 40 far 0 97 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 1246 from aliabs.peaks (1.28, 3.83, 59.43 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 43 + HA GLU 40 OK 100 100 100 100 2.3-4.2 1.8/1245=100...(15) 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 2 assignments used, quality = 1.00: * HA GLU 40 + HB2 GLU 40 OK 100 100 100 100 2.4-2.5 3.0=100 HB2 SER 130 - HB2 GLU 40 far 0 97 0 - 9.3-12.0 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 4 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 0 100 0 - 6.0-7.9 HG2 PRO 81 - HB2 GLU 40 far 0 92 0 - 9.4-13.9 HB2 GLN 134 - HB2 GLU 40 far 0 100 0 - 9.6-12.1 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 2.6-3.0 3.0=100 HG2 GLU 44 - HB2 GLU 40 poor 14 68 55 37 3.4-6.9 1241/3.0=17...(4) 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 2.4-3.0 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): 1 out of 8 assignments used, quality = 1.00: * H GLU 40 + HB3 GLU 40 OK 100 100 100 100 2.4-2.8 4.0=100 H LEU 43 - HB3 GLU 40 far 0 100 0 - 5.6-5.9 H LEU 43 - HB2 GLU 44 far 0 99 0 - 6.4-6.5 H LEU 49 - HB2 GLU 44 far 0 91 0 - 8.0-8.4 H GLU 40 - HB2 GLU 44 far 0 99 0 - 8.1-8.7 H LEU 96 - HG2 ARG 90 far 0 77 0 - 9.2-10.2 H ALA 21 - HG2 ARG 90 far 0 53 0 - 9.5-32.9 H LEU 69 - HB2 GLU 44 far 0 94 0 - 10.0-10.6 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 5 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 2.4-2.6 2.9=100 HB3 LEU 48 - HB2 GLU 44 far 0 98 0 - 5.9-7.0 HB2 GLU 40 - HB2 GLU 44 far 0 99 0 - 6.0-7.9 HB2 MET 11 - HG2 ARG 90 far 0 65 0 - 6.1-39.9 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 6 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 2.7-2.9 3.0=100 HG2 GLU 44 - HB3 GLU 40 far 0 68 0 - 4.1-6.3 HG2 GLU 40 - HB2 GLU 44 far 0 99 0 - 5.7-9.3 HG3 GLN 68 - HB2 GLU 44 far 0 57 0 - 7.5-9.0 HB VAL 132 - HG2 ARG 90 far 0 80 0 - 7.6-8.0 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 0 99 0 - 4.6-9.3 HG3 GLU 128 - HG2 ARG 90 far 0 46 0 - 9.0-10.3 HG3 GLU 97 - HG2 ARG 90 far 0 82 0 - 9.5-10.7 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 6 assignments used, quality = 1.00: * H GLU 40 + HG2 GLU 40 OK 100 100 100 100 1.9-4.5 4.8=100 H LEU 43 + HG2 GLU 40 OK 94 100 100 94 5.8-6.8 6495/3.9=58...(8) H GLU 30 + HG2 GLU 30 OK 47 47 100 100 3.0-4.6 5.1=100 H GLU 30 + HG3 GLU 30 OK 47 47 100 100 3.0-4.1 5.1=100 H ARG 23 - HG2 GLU 30 far 0 37 0 - 8.8-21.0 H ARG 23 - HG3 GLU 30 far 0 37 0 - 9.6-20.7 Violated in 0 structures by 0.00 A. Peak 1262 from aliabs.peaks (3.83, 2.29, 35.43 ppm; 3.87 A increased from 3.64 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 40 + HG2 GLU 40 OK 100 100 100 100 2.5-3.7 3.9=100 HB2 SER 130 - HG2 GLU 40 far 0 97 0 - 9.0-12.7 HD2 PRO 81 - HG2 GLU 40 far 0 78 0 - 9.7-14.6 Violated in 0 structures by 0.00 A. Peak 1263 from aliabs.peaks (1.90, 2.29, 35.43 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 40 + HG2 GLU 40 OK 100 100 100 100 2.6-3.0 3.0=100 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 8 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 2.4-2.8 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 0 100 0 - 5.7-9.3 HB2 GLN 134 - HG2 GLU 40 far 0 100 0 - 8.4-13.3 HG3 PRO 81 - HG2 GLU 40 far 0 63 0 - 8.4-14.8 HG2 PRO 81 - HG2 GLU 40 far 0 92 0 - 8.6-15.6 HB2 PRO 81 - HG2 GLU 40 far 0 49 0 - 10.0-15.0 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 1 assignment used, quality = 1.00: * HG3 GLU 40 + HG2 GLU 40 OK 100 100 100 100 1.8-1.8 1.8=100 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 6 assignments used, quality = 1.00: * H GLU 40 + HG3 GLU 40 OK 100 100 100 100 2.0-4.4 4.8=100 H LEU 96 + HG3 GLU 97 OK 75 75 100 99 3.6-3.8 7330/7348=71...(12) H SER 99 + HG3 GLU 97 OK 66 82 90 90 4.4-6.0 7375/7361=58...(7) H LEU 43 + HG3 GLU 40 OK 20 100 25 80 5.3-6.7 6495/1269=42...(7) H VAL 126 - HG3 GLU 97 far 0 80 0 - 8.8-9.4 H LEU 69 - HG3 GLU 97 far 0 77 0 - 9.8-10.4 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 3 assignments used, quality = 0.98: * HA GLU 40 + HG3 GLU 40 OK 98 100 100 98 2.4-3.6 3.9=78, 2.8/1268=39...(13) HB2 SER 9 - HG3 GLU 97 far 0 66 0 - 6.1-41.0 HB2 SER 130 - HG3 GLU 40 far 0 97 0 - 8.9-12.7 Violated in 2 structures by 0.00 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 2.4-3.0 3.0=100 HB2 MET 11 - HG3 GLU 97 far 0 64 0 - 8.7-38.0 HB2 ARG 90 - HG3 GLU 97 far 0 73 0 - 9.0-10.0 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 10 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 0 100 0 - 4.6-9.3 QE MET 11 - HG3 GLU 97 far 0 81 0 - 7.1-33.2 HB2 GLN 134 - HG3 GLU 40 far 0 100 0 - 8.5-12.0 HG3 PRO 81 - HG3 GLU 40 far 0 63 0 - 8.8-14.2 HG2 PRO 81 - HG3 GLU 40 far 0 92 0 - 8.8-14.9 HB ILE 129 - HG3 GLU 97 far 0 64 0 - 9.3-11.2 HG2 ARG 90 - HG3 GLU 97 far 0 83 0 - 9.5-10.7 HB3 GLU 91 - HG3 GLU 97 far 0 77 0 - 10.0-10.5 HB3 MET 11 - HG3 GLU 97 far 0 79 0 - 10.0-37.9 Violated in 0 structures by 0.00 A. Peak 1272 from aliabs.peaks (2.29, 2.39, 35.43 ppm; 2.55 A): 1 out of 3 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 lone 3 68 30 13 2.1-8.0 1241/1269=6, 6472/1274=3 HB3 GLN 101 - HG3 GLU 97 far 0 77 0 - 6.6-8.2 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 2 assignments used, quality = 1.00: * QB ALA 41 + HA ALA 41 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 LYS 39 - HA ALA 41 far 0 92 0 - 7.8-9.1 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 2 assignments used, quality = 1.00: * H GLU 44 + HA ALA 41 OK 100 100 100 100 4.2-4.3 6515=100, 6527/1409=98...(11) H TYR 72 - HA ALA 41 far 0 97 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 1280 from aliabs.peaks (2.02, 3.91, 54.50 ppm; 4.33 A increased from 4.07 A): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 40 + HA ALA 41 OK 100 100 100 100 4.0-4.3 10857/2.1=79...(23) * HB2 GLU 44 + HA ALA 41 OK 30 100 30 100 4.8-5.2 1.8/1409=91, 3.0/9064=54...(14) 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 2 assignments used, quality = 1.00: * HB3 GLU 44 + HA ALA 41 OK 100 100 100 100 3.3-4.4 1409=100, 6527/6515=51...(16) HB3 LYS 39 - HA ALA 41 far 0 99 0 - 7.5-7.8 Violated in 3 structures by 0.04 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 2.0-2.1 3.0=100 H GLN 68 - QB ALA 41 far 0 63 0 - 9.7-10.5 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 HA3 GLY 75 - QB ALA 41 far 0 81 0 - 7.7-8.6 HB2 SER 33 - QB ALA 41 far 0 99 0 - 8.4-9.2 HA ALA 46 - QB ALA 41 far 0 78 0 - 8.8-9.1 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 1 assignment used, quality = 1.00: * H LEU 42 + QB ALA 41 OK 100 100 100 100 2.4-2.8 3.7=100 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 1 assignment used, quality = 1.00: * H LEU 42 + HA LEU 42 OK 100 100 100 100 2.9-2.9 2.8=100 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 3 assignments used, quality = 1.00: * HB2 LEU 42 + HA LEU 42 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 LYS 36 - HA LEU 42 far 0 99 0 - 7.8-9.3 QB ALA 15 - HA LEU 42 far 0 99 0 - 9.3-34.1 Violated in 0 structures by 0.00 A. Peak 1289 from aliabs.peaks (1.54, 3.47, 59.85 ppm; 4.38 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + HA LEU 42 OK 100 100 100 100 2.4-2.4 3.0=100 HG13 ILE 37 - HA LEU 42 far 0 97 0 - 5.9-7.8 HG LEU 69 - HA LEU 42 far 0 60 0 - 6.5-7.3 Violated in 0 structures by 0.00 A. Peak 1290 from aliabs.peaks (1.49, 3.47, 59.85 ppm; 4.23 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 42 + HA LEU 42 OK 100 100 100 100 2.5-2.7 3.7=100 HG LEU 69 - HA LEU 42 far 0 60 0 - 6.5-7.3 HG3 LYS 36 - HA LEU 42 far 0 63 0 - 8.9-10.8 HB2 LEU 49 - HA LEU 42 far 0 97 0 - 9.4-10.6 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 3.2-3.4 4.1=100 QD1 ILE 129 - HA LEU 42 far 0 89 0 - 7.9-8.7 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 3.7-3.8 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): 1 out of 4 assignments used, quality = 1.00: * H LEU 43 + HA LEU 42 OK 100 100 100 100 3.6-3.6 3.6=100 H LEU 69 - HA LEU 42 far 0 97 0 - 6.7-7.4 H GLU 40 - HA LEU 42 far 0 100 0 - 6.9-7.1 H LEU 49 - HA LEU 42 far 0 95 0 - 9.1-9.6 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 5 assignments used, quality = 1.00: * HB2 CYS 45 + HA LEU 42 OK 100 100 100 100 2.9-3.4 1439=82, 1.8/1445=68...(10) HE2 LYS 39 - HA LEU 42 far 0 99 0 - 7.1-9.5 HE3 LYS 39 - HA LEU 42 far 0 99 0 - 8.7-10.9 HE2 LYS 36 - HA LEU 42 far 0 71 0 - 8.8-11.3 HE3 LYS 36 - HA LEU 42 far 0 71 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 1296 from aliabs.peaks (3.12, 3.47, 59.85 ppm; 5.20 A increased from 4.89 A): 2 out of 2 assignments used, quality = 1.00: * HB3 CYS 45 + HA LEU 42 OK 100 100 100 100 4.5-5.1 1445=99, 1.8/1295=90...(6) HB3 TYR 76 + HA LEU 42 OK 79 90 90 97 5.2-6.3 9092/1324=68...(6) 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 3.0-3.3 1147=100, 1148/1.8=100...(9) 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 3 assignments used, quality = 1.00: * HA LEU 42 + HB2 LEU 42 OK 100 100 100 100 3.0-3.0 3.0=100 HA VAL 77 - HB2 LEU 42 far 0 85 0 - 8.1-8.4 HA ILE 129 - HB2 LEU 42 far 0 92 0 - 8.4-9.3 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 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 far 0 97 0 - 6.8-8.0 HG LEU 69 - HB2 LEU 42 far 0 60 0 - 8.0-8.5 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 2.9-2.9 3.0=100 HG LEU 69 - HB2 LEU 42 far 0 60 0 - 8.0-8.5 HG3 LYS 36 - HB2 LEU 42 far 0 63 0 - 10.0-11.5 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 2.8-2.9 3.2=100 QD1 ILE 129 - HB2 LEU 42 far 0 89 0 - 7.7-8.5 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 1.9-2.0 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 4.1-4.8 1148=100, 1147/1.8=91...(7) Violated in 0 structures by 0.00 A. Peak 1307 from aliabs.peaks (7.49, 1.54, 42.33 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HB3 LEU 42 OK 100 100 100 100 2.6-2.8 4.0=100 H GLN 134 - HB3 LEU 42 far 0 100 0 - 9.5-10.1 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 3 assignments used, quality = 1.00: * HA LEU 42 + HB3 LEU 42 OK 100 100 100 100 2.4-2.4 3.0=100 HA VAL 77 - HB3 LEU 42 far 0 85 0 - 7.9-8.4 HA ILE 129 - HB3 LEU 42 far 0 92 0 - 8.9-10.0 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 12 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 OK 65 76 90 95 2.0-7.2 10703/3.1=44, ~10756=22...(36) QB ALA 21 + HB2 LEU 22 OK 41 43 100 95 4.3-5.6 3.7/6188=88...(5) QB ALA 28 - HB2 LEU 22 far 4 70 5 - 4.5-16.1 HG3 LYS 31 - HB2 LEU 22 far 3 69 5 - 4.2-22.1 HG2 LYS 19 - HB2 LEU 22 far 0 76 0 - 6.3-9.0 HG2 LYS 36 - HB3 LEU 42 far 0 99 0 - 7.4-8.7 QB ALA 29 - HB2 LEU 22 far 0 75 0 - 7.4-18.2 QB ALA 16 - HB2 LEU 22 far 0 60 0 - 7.6-13.2 HG3 LYS 26 - HB2 LEU 22 far 0 73 0 - 8.8-13.5 QB ALA 15 - HB3 LEU 42 far 0 99 0 - 9.0-33.4 QB ALA 15 - HB2 LEU 22 far 0 73 0 - 10.0-15.3 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 3 assignments used, quality = 1.00: * HG LEU 42 + HB3 LEU 42 OK 100 100 100 100 2.7-2.8 3.0=100 HG LEU 69 - HB3 LEU 42 far 0 60 0 - 7.6-8.4 HG3 LYS 36 - HB3 LEU 42 far 0 63 0 - 8.8-10.4 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 1.9-2.0 3.2=100 QD1 ILE 129 - HB3 LEU 42 far 0 89 0 - 7.8-8.5 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 3.0-3.0 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): 2 out of 7 assignments used, quality = 1.00: * H LEU 43 + HB3 LEU 42 OK 100 100 100 100 3.7-3.9 4.6=100 H ARG 23 + HB2 LEU 22 OK 45 45 100 100 2.1-4.2 4.6=100 H ALA 21 - HB2 LEU 22 poor 16 47 45 77 4.3-5.7 4.6/6188=66, ~11967=16...(4) H GLU 40 - HB3 LEU 42 far 0 100 0 - 6.1-6.8 H LEU 69 - HB3 LEU 42 far 0 97 0 - 8.0-9.0 H GLU 30 - HB2 LEU 22 far 0 56 0 - 8.6-20.1 H ASP 131 - HB3 LEU 42 far 0 92 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 1315 from aliabs.peaks (7.49, 1.49, 28.46 ppm; 5.69 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HG LEU 42 OK 100 100 100 100 4.4-4.5 4.6=100 H GLN 134 - HG LEU 42 far 0 100 0 - 8.7-9.3 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 3 assignments used, quality = 1.00: * HA LEU 42 + HG LEU 42 OK 100 100 100 100 2.5-2.7 3.7=100 HA ILE 129 - HG LEU 42 far 0 92 0 - 7.0-8.1 HA VAL 77 - HG LEU 42 far 0 85 0 - 8.4-8.9 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 5 assignments used, quality = 1.00: * HB2 LEU 42 + HG LEU 42 OK 100 100 100 100 2.9-2.9 3.0=100 QB ALA 15 - HG LEU 42 far 0 99 0 - 8.7-34.6 HG LEU 96 - HG LEU 42 far 0 73 0 - 9.4-9.9 HB2 LEU 96 - HG LEU 42 far 0 99 0 - 9.5-10.2 HG2 LYS 36 - HG LEU 42 far 0 99 0 - 9.8-11.2 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 2.7-2.8 3.0=100 HG LEU 69 + HG LEU 42 OK 24 60 40 100 5.1-5.7 2.1/9078=81, ~11039=69...(17) HG13 ILE 37 - HG LEU 42 far 0 97 0 - 7.5-8.6 HG LEU 49 - HG LEU 42 far 0 63 0 - 9.7-10.4 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 0 89 0 - 5.8-6.6 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 3.7-4.0 6502=100, 1338/2.1=98...(15) H LEU 69 - HG LEU 42 far 0 97 0 - 6.6-7.1 H GLU 40 - HG LEU 42 far 0 100 0 - 7.9-8.1 H ASP 131 - HG LEU 42 far 0 92 0 - 8.1-8.8 H LEU 49 - HG LEU 42 far 0 95 0 - 8.7-9.2 H VAL 126 - HG LEU 42 far 0 99 0 - 9.7-10.3 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 4.3-4.4 6489=96, 1331/2.1=77...(8) H GLN 134 - QD1 LEU 42 far 0 100 0 - 7.6-8.1 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 3.2-3.4 4.1=86, 1332/2.1=72...(17) HA VAL 77 - QD1 LEU 42 far 0 85 0 - 5.1-5.6 HA ILE 129 - QD1 LEU 42 far 0 92 0 - 5.5-6.8 HA VAL 132 - QD1 LEU 42 far 0 60 0 - 8.7-9.4 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 7 assignments used, quality = 1.00: * HB2 LEU 42 + QD1 LEU 42 OK 100 100 100 100 2.8-2.9 3.2=100 QB ALA 15 - QD1 LEU 42 far 0 99 0 - 6.3-27.5 HG LEU 96 - QD1 LEU 42 far 0 73 0 - 7.4-8.1 HG2 LYS 36 - QD1 LEU 42 far 0 99 0 - 7.5-8.7 HB2 LEU 96 - QD1 LEU 42 far 0 99 0 - 7.9-8.7 QB ALA 21 - QD1 LEU 42 far 0 65 0 - 9.7-23.3 QB ALA 16 - QD1 LEU 42 far 0 87 0 - 9.7-29.7 Violated in 0 structures by 0.00 A. Peak 1326 from aliabs.peaks (1.54, 0.63, 27.44 ppm; 3.76 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 42 + QD1 LEU 42 OK 100 100 100 100 1.9-2.0 3.2=100 HG13 ILE 37 - QD1 LEU 42 far 0 97 0 - 4.7-5.5 HG LEU 69 - QD1 LEU 42 far 0 60 0 - 5.0-5.6 HG LEU 49 - QD1 LEU 42 far 0 63 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 1327 from aliabs.peaks (1.49, 0.63, 27.44 ppm; 3.47 A): 1 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 far 0 60 0 - 5.0-5.6 HG3 LYS 86 - QD1 LEU 42 far 0 97 0 - 7.5-9.7 HB2 LEU 49 - QD1 LEU 42 far 0 97 0 - 8.4-9.4 HG3 LYS 36 - QD1 LEU 42 far 0 63 0 - 8.7-10.1 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 1.9-1.9 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): 1 out of 7 assignments used, quality = 1.00: * H LEU 43 + QD1 LEU 42 OK 100 100 100 100 4.5-4.6 6503=99, 1338/2.1=91...(16) H LEU 69 - QD1 LEU 42 far 0 97 0 - 5.9-6.5 H GLU 40 - QD1 LEU 42 far 0 100 0 - 7.0-7.4 H ASP 131 - QD1 LEU 42 far 0 92 0 - 7.4-8.2 H VAL 126 - QD1 LEU 42 far 0 99 0 - 8.6-9.3 H LEU 96 - QD1 LEU 42 far 0 96 0 - 8.8-9.5 H LEU 49 - QD1 LEU 42 far 0 95 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 1331 from aliabs.peaks (7.49, 0.56, 24.08 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + QD2 LEU 42 OK 100 100 100 100 3.8-4.0 6490=78, 2.8/1332=70...(9) H GLN 134 - QD2 LEU 42 far 0 100 0 - 5.4-5.8 Violated in 0 structures by 0.00 A. Peak 1332 from aliabs.peaks (3.47, 0.56, 24.08 ppm; 3.83 A increased from 3.60 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 42 + QD2 LEU 42 OK 100 100 100 100 3.7-3.8 3.9=92, 1324/2.1=68...(15) HA ILE 129 - QD2 LEU 42 far 0 92 0 - 4.8-5.5 HA VAL 77 - QD2 LEU 42 far 0 85 0 - 5.8-6.3 HA VAL 132 - QD2 LEU 42 far 0 60 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 1333 from aliabs.peaks (1.37, 0.56, 24.08 ppm; 3.39 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 42 + QD2 LEU 42 OK 100 100 100 100 1.9-2.0 3.1=100 QB ALA 15 - QD2 LEU 42 far 0 99 0 - 8.2-29.6 HB2 LEU 96 - QD2 LEU 42 far 0 99 0 - 8.4-9.0 HG LEU 96 - QD2 LEU 42 far 0 73 0 - 8.6-9.2 HG2 LYS 36 - QD2 LEU 42 far 0 99 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 1334 from aliabs.peaks (1.54, 0.56, 24.08 ppm; 3.41 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 42 + QD2 LEU 42 OK 100 100 100 100 3.0-3.0 3.1=100 HG LEU 69 - QD2 LEU 42 far 0 60 0 - 5.2-5.8 HG13 ILE 37 - QD2 LEU 42 far 0 97 0 - 6.9-7.8 HG LEU 49 - QD2 LEU 42 far 0 63 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 1335 from aliabs.peaks (1.49, 0.56, 24.08 ppm; 3.25 A): 1 out of 4 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 far 0 60 0 - 5.2-5.8 HB2 LEU 49 - QD2 LEU 42 far 0 97 0 - 8.0-8.8 HG3 LYS 86 - QD2 LEU 42 far 0 97 0 - 8.0-10.1 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 1.9-1.9 2.1=100 QD1 ILE 129 - QD2 LEU 42 far 0 89 0 - 4.6-5.3 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): 1 out of 7 assignments used, quality = 1.00: * H LEU 43 + QD2 LEU 42 OK 100 100 100 100 2.5-2.9 6504=72, 6508/9085=51...(19) H ASP 131 - QD2 LEU 42 far 0 92 0 - 5.3-6.1 H GLU 40 - QD2 LEU 42 far 0 100 0 - 5.8-6.1 H LEU 69 - QD2 LEU 42 far 0 97 0 - 7.3-7.7 H VAL 126 - QD2 LEU 42 far 0 99 0 - 8.2-8.8 H LEU 49 - QD2 LEU 42 far 0 95 0 - 8.3-8.8 H LEU 96 - QD2 LEU 42 far 0 96 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 1339 from aliabs.peaks (8.29, 3.78, 57.62 ppm; 4.76 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 43 + HA LEU 43 OK 100 100 100 100 2.7-2.7 2.8=100 H ASP 131 - HA LEU 43 far 0 92 0 - 6.2-6.9 H GLU 40 - HA LEU 43 far 0 100 0 - 6.9-7.1 H LEU 49 - HA LEU 43 far 0 95 0 - 8.2-8.8 H LEU 69 - HA LEU 43 far 0 97 0 - 9.4-9.8 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 2.6-3.0 3.0=100 HD3 LYS 39 - HA LEU 43 far 0 97 0 - 6.6-8.9 HD2 LYS 39 - HA LEU 43 far 0 71 0 - 6.7-8.5 HG LEU 48 - HA LEU 43 far 0 97 0 - 7.5-9.5 HG2 ARG 135 - HA LEU 43 far 0 100 0 - 10.0-12.2 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 1 assignment used, quality = 1.00: * HB3 LEU 43 + HA LEU 43 OK 100 100 100 100 2.5-3.0 3.0=100 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 2 assignments used, quality = 1.00: * HG LEU 43 + HA LEU 43 OK 100 100 100 100 2.7-3.4 3.7=100 HB2 LEU 69 - HA LEU 43 far 0 99 0 - 8.2-8.7 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 3.5-3.9 4.1=87, 2.1/1345=77...(14) QD1 ILE 129 - HA LEU 43 far 0 65 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 1345 from aliabs.peaks (0.74, 3.78, 57.62 ppm; 3.63 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 43 + HA LEU 43 OK 100 100 100 100 1.8-2.4 3.9=83, 2.1/1344=62...(17) HG12 ILE 129 - HA LEU 43 far 0 100 0 - 7.0-9.6 QD2 LEU 96 - HA LEU 43 far 0 100 0 - 8.0-8.9 QD1 LEU 96 - HA LEU 43 far 0 60 0 - 8.8-9.6 QD1 ILE 37 - HA LEU 43 far 0 73 0 - 9.3-9.7 QG1 VAL 93 - HA LEU 43 far 0 99 0 - 9.7-10.2 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 3.6-3.6 3.6=100 H TYR 72 - HA LEU 43 far 0 97 0 - 9.4-9.9 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 2.0-2.4 9176/1345=60...(13) 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 3 assignments used, quality = 1.00: * HA GLU 40 + HB2 LEU 43 OK 100 100 100 100 2.4-3.9 1245=100, 9055/3.2=79...(16) HB2 SER 130 + HB2 LEU 43 OK 68 97 70 100 3.9-7.2 11720/3.2=79, ~10509=58...(20) HB2 SER 50 - HB2 LEU 43 far 0 99 0 - 9.9-11.9 Violated in 0 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 2.4-3.6 3.9=100 H GLU 40 + HB2 LEU 43 OK 75 100 75 100 4.4-6.3 2.8/1245=76...(20) H ASP 131 - HB2 LEU 43 far 0 92 0 - 7.4-8.9 H LEU 49 - HB2 LEU 43 far 0 95 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 1351 from aliabs.peaks (3.78, 1.70, 40.78 ppm; 4.78 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.6-3.0 3.0=100 HA SER 130 - HB2 LEU 43 poor 20 100 20 - 4.9-6.1 HB3 SER 130 - HB2 LEU 43 far 0 100 0 - 5.6-7.1 HA VAL 133 - HB2 LEU 43 far 0 98 0 - 8.2-8.7 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 1 assignment used, quality = 1.00: * HB3 LEU 43 + HB2 LEU 43 OK 100 100 100 100 1.8-1.8 1.8=100 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 1 assignment used, quality = 1.00: * HG LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.3-3.0 3.0=100 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 2.1-2.6 3.2=100 QD1 ILE 129 - HB2 LEU 43 far 0 65 0 - 9.5-10.2 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 3 assignments used, quality = 1.00: * QD2 LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.2-3.2 3.2=100 QD1 ILE 37 - HB2 LEU 43 far 0 73 0 - 9.4-10.6 HG12 ILE 129 - HB2 LEU 43 far 0 100 0 - 9.7-12.3 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 2.4-3.1 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 4 assignments used, quality = 1.00: * HA GLU 40 + HB3 LEU 43 OK 100 100 100 100 2.3-4.2 1246=100, 1245/1.8=98...(15) HB2 SER 130 + HB3 LEU 43 OK 87 97 90 100 3.4-7.1 11720/3.2=85, ~10509=65...(18) HB2 SER 50 - HB3 LEU 43 far 0 99 0 - 8.8-12.2 HD2 PRO 81 - HB3 LEU 43 far 0 78 0 - 9.8-12.0 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 25 100 25 100 4.4-6.5 2.8/1246=72...(13) H ASP 131 - HB3 LEU 43 far 0 92 0 - 7.1-8.9 H LEU 49 - HB3 LEU 43 far 0 95 0 - 9.5-10.8 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 2.5-3.0 3.0=100 HA SER 130 + HB3 LEU 43 OK 70 100 70 100 4.4-6.0 11747/3.2=78, ~11805=41...(27) HB3 SER 130 + HB3 LEU 43 OK 35 100 35 100 5.0-7.0 10509/3.2=79, ~11805=58...(25) HA VAL 133 - HB3 LEU 43 far 0 98 0 - 8.1-8.8 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 4 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 7 71 10 - 4.7-7.5 HD3 LYS 39 - HB3 LEU 43 far 0 97 0 - 5.3-8.3 HG LEU 48 - HB3 LEU 43 far 0 97 0 - 8.1-10.2 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 1 assignment used, quality = 1.00: * HG LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.5-3.0 3.0=100 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 2.2-2.6 3.2=100 QD1 ILE 129 - HB3 LEU 43 far 0 65 0 - 9.3-10.2 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 4 assignments used, quality = 1.00: * QD2 LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.1-3.2 3.2=100 HG12 ILE 129 - HB3 LEU 43 far 0 100 0 - 9.2-12.2 QD1 ILE 37 - HB3 LEU 43 far 0 73 0 - 9.4-11.0 QD2 LEU 96 - HB3 LEU 43 far 0 100 0 - 10.0-11.0 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 2.5-3.5 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 2.7-3.4 3.7=100 HA SER 130 + HG LEU 43 OK 100 100 100 100 3.7-4.9 11747/2.1=98, ~11805=68...(30) HA VAL 133 + HG LEU 43 OK 83 98 85 100 5.6-6.2 3.2/10572=91...(21) HB3 SER 130 + HG LEU 43 OK 75 100 75 100 5.6-6.5 10509/2.1=99, ~11805=86...(25) HA VAL 133 - HG2 ARG 84 far 0 82 0 - 7.8-11.8 HA VAL 133 - HG3 ARG 84 far 0 85 0 - 9.1-11.4 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 HD3 LYS 39 + HG LEU 43 OK 48 97 50 100 4.1-6.1 ~11901=54, ~11073=44...(27) HD2 LYS 39 + HG LEU 43 OK 46 71 65 100 3.8-5.8 ~11901=54, ~11073=44...(26) HG2 ARG 135 - HG2 ARG 84 far 0 86 0 - 6.2-11.3 HG2 ARG 135 - HG3 ARG 84 far 0 89 0 - 6.7-10.3 HG2 ARG 135 - HG LEU 43 far 0 100 0 - 8.5-10.9 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 1 assignment used, quality = 1.00: * HB3 LEU 43 + HG LEU 43 OK 100 100 100 100 2.5-3.0 3.0=100 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 - 8.5-9.4 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 4 assignments used, quality = 1.00: * QD2 LEU 43 + HG LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 129 - HG LEU 43 far 0 100 0 - 8.8-11.0 QD1 ILE 37 - HG LEU 43 far 0 73 0 - 9.1-9.8 QD2 LEU 96 - HG LEU 43 far 0 100 0 - 9.5-10.3 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 3.3-4.0 6509=100, 6508/2.1=81...(25) H GLU 40 + QD1 LEU 43 OK 95 100 95 100 3.2-5.3 2.8/9055=60, 10927=53...(26) H ASP 131 - QD1 LEU 43 far 0 92 0 - 5.0-6.7 H LEU 49 - QD1 LEU 43 far 0 95 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 1376 from aliabs.peaks (3.78, 0.68, 25.73 ppm; 3.98 A increased from 3.75 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 43 + QD1 LEU 43 OK 100 100 100 100 3.5-3.9 1344=100, 1345/2.1=79...(14) HA SER 130 + QD1 LEU 43 OK 70 100 70 100 3.8-5.0 11747/2.1=71, ~11805=37...(29) HB3 SER 130 - QD1 LEU 43 far 5 100 5 - 4.4-6.0 HA VAL 133 - QD1 LEU 43 far 0 98 0 - 5.2-5.8 Violated in 0 structures by 0.00 A. Peak 1377 from aliabs.peaks (1.70, 0.68, 25.73 ppm; 3.56 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.1-2.6 3.2=100 HD3 LYS 39 + QD1 LEU 43 OK 96 97 100 98 1.9-4.1 3.0/11901=55...(29) HD2 LYS 39 + QD1 LEU 43 OK 70 71 100 98 1.9-4.0 3.0/11901=55...(29) HG2 ARG 135 - QD1 LEU 43 far 0 100 0 - 6.8-9.2 HG LEU 48 - QD1 LEU 43 far 0 97 0 - 8.9-10.5 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 1 assignment used, quality = 1.00: * HB3 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.2-2.6 3.2=100 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 2 assignments used, quality = 1.00: * HG LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 88 - QD1 LEU 43 far 0 83 0 - 9.4-10.3 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 4 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 - 8.7-9.8 HG12 ILE 129 - QD1 LEU 43 far 0 100 0 - 9.0-10.2 QD2 LEU 96 - QD1 LEU 43 far 0 100 0 - 9.2-10.1 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 4.2-4.7 6523=100, 6524/2.1=100...(13) Violated in 0 structures by 0.00 A. Peak 1383 from aliabs.peaks (8.29, 0.74, 22.24 ppm; 3.76 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.5-3.8 6510=92, 6508/2.1=71...(21) H ASP 131 + QD2 LEU 43 OK 69 92 80 94 4.0-4.5 3.6/11747=47...(9) H GLU 40 - QD2 LEU 43 far 0 100 0 - 5.6-6.2 H LEU 49 - QD2 LEU 43 far 0 95 0 - 8.5-9.0 H VAL 126 - QD2 LEU 43 far 0 99 0 - 8.9-9.6 H LEU 69 - QD2 LEU 43 far 0 97 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 1384 from aliabs.peaks (3.78, 0.74, 22.24 ppm; 2.82 A): 3 out of 4 assignments used, quality = 1.00: HA SER 130 + QD2 LEU 43 OK 96 100 100 96 1.8-2.3 11747=36, 3.0/11805=32...(27) * HA LEU 43 + QD2 LEU 43 OK 95 100 100 95 1.8-2.4 1345=47, 1344/2.1=35...(15) HB3 SER 130 + QD2 LEU 43 OK 89 100 95 94 3.0-3.5 1.8/11805=43, 10509=36...(25) HA VAL 133 - QD2 LEU 43 far 0 98 0 - 4.4-5.1 Violated in 0 structures by 0.00 A. Peak 1385 from aliabs.peaks (1.70, 0.74, 22.24 ppm; 3.63 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.2-3.2 3.2=100 HD3 LYS 39 - QD2 LEU 43 far 5 97 5 - 4.2-5.8 HD2 LYS 39 - QD2 LEU 43 far 0 71 0 - 4.3-5.6 HG2 ARG 135 - QD2 LEU 43 far 0 100 0 - 6.3-8.2 HG LEU 48 - QD2 LEU 43 far 0 97 0 - 8.1-9.6 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 1 assignment used, quality = 1.00: * HB3 LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.1-3.2 3.2=100 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 3 assignments used, quality = 1.00: * HG LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 69 - QD2 LEU 43 far 0 99 0 - 8.0-8.9 QB ALA 88 - QD2 LEU 43 far 0 83 0 - 8.2-8.9 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 2 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 - 6.2-6.9 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 4.4-4.7 6524=100, 6522/2.1=98...(12) H TYR 72 - QD2 LEU 43 far 0 97 0 - 8.8-10.2 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 1 assignment used, quality = 1.00: * H GLU 44 + HA GLU 44 OK 100 100 100 100 2.7-2.8 2.8=100 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 9 assignments used, quality = 1.00: * HB2 GLU 44 + HA GLU 44 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 GLU 40 - HA GLU 44 far 0 100 0 - 7.1-7.7 QE MET 11 - HA LEU 122 far 0 59 0 - 7.8-38.7 QE MET 11 - HA LEU 96 far 0 70 0 - 7.8-37.1 HB ILE 129 - HA LEU 122 far 0 41 0 - 7.9-9.6 HB ILE 129 - HA LEU 96 far 0 50 0 - 8.0-9.3 HB2 GLN 127 - HA LEU 122 far 0 35 0 - 8.6-9.3 HB ILE 129 - HA GLU 44 far 0 81 0 - 9.4-11.2 HB3 PRO 117 - HA LEU 122 far 0 47 0 - 9.5-10.1 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 13 assignments used, quality = 1.00: * HB3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 62 - HA LEU 122 far 0 50 0 - 7.2-10.0 HB2 GLU 128 - HA LEU 122 far 0 57 0 - 7.4-7.9 HB2 GLU 128 - HA LEU 96 far 0 68 0 - 7.7-8.3 HB VAL 118 - HA LEU 122 far 0 57 0 - 7.8-8.5 HB2 GLU 102 - HA LEU 96 far 0 67 0 - 8.3-10.4 HB2 GLN 127 - HA LEU 122 far 0 37 0 - 8.6-9.3 HB2 GLU 102 - HA LEU 122 far 0 56 0 - 8.6-11.4 HG3 GLN 134 - HA GLU 44 far 0 100 0 - 8.8-11.2 HB VAL 118 - HA LEU 96 far 0 68 0 - 8.9-9.5 HB3 LYS 39 - HA GLU 44 far 0 99 0 - 8.9-10.1 HB2 LEU 62 - HA LEU 96 far 0 60 0 - 9.3-11.1 HG3 GLU 91 - HA LEU 96 far 0 53 0 - 9.9-12.5 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 13 assignments used, quality = 1.00: * HG2 GLU 44 + HA GLU 44 OK 100 100 100 100 3.5-3.8 3.7=100 HG2 GLU 40 - HA GLU 44 far 0 68 0 - 6.3-8.9 HG2 GLU 102 - HA LEU 96 far 0 64 0 - 7.3-10.8 HG2 GLN 127 - HA LEU 122 far 0 32 0 - 7.5-9.9 HG2 GLU 102 - HA LEU 122 far 0 53 0 - 8.1-11.4 HG2 GLU 128 - HA LEU 122 far 0 35 0 - 8.1-10.1 HG2 GLU 128 - HA LEU 96 far 0 43 0 - 8.2-10.2 HG3 GLN 68 - HA GLU 44 far 0 100 0 - 8.4-9.3 HB3 GLN 101 - HA LEU 96 far 0 60 0 - 8.6-10.3 HG2 GLN 127 - HA LEU 96 far 0 39 0 - 8.7-12.1 HB3 GLN 134 - HA GLU 44 far 0 95 0 - 9.1-11.9 HG2 GLN 127 - HA GLU 44 far 0 65 0 - 9.5-13.1 HB3 GLN 101 - HA LEU 122 far 0 50 0 - 9.8-12.1 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 5 assignments used, quality = 1.00: * HG3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.4-4.0 3.7=100 HG3 GLN 127 - HA LEU 122 far 0 59 0 - 7.2-8.7 HG3 GLU 102 - HA LEU 96 far 0 46 0 - 8.2-9.7 HG3 GLU 102 - HA LEU 122 far 0 38 0 - 8.4-10.1 HG3 GLN 127 - HA LEU 96 far 0 70 0 - 8.9-11.1 Violated in 3 structures by 0.01 A. Peak 1398 from aliabs.peaks (8.46, 4.04, 58.87 ppm; 6.20 A): 3 out of 7 assignments used, quality = 1.00: * H ASP 47 + HA GLU 44 OK 100 100 100 100 3.4-3.8 6563=100, 6571/1400=97...(9) H LEU 100 + HA LEU 96 OK 32 34 100 97 4.2-4.7 4.5/3208=41, 7388=40...(18) H LEU 100 + HA LEU 122 OK 24 27 100 89 5.0-6.1 4.5/3208=41, 4.5/3214=36...(11) H VAL 93 - HA LEU 96 far 0 50 0 - 7.0-7.5 H LEU 70 - HA LEU 96 far 0 68 0 - 8.1-8.8 H VAL 93 - HA LEU 122 far 0 41 0 - 8.6-9.5 H LEU 70 - HA LEU 122 far 0 57 0 - 8.9-9.7 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 4 assignments used, quality = 1.00: * HB2 ASP 47 + HA GLU 44 OK 100 100 100 100 3.3-4.2 1471=94, 1.8/1400=87...(6) HB2 CYS 125 + HA LEU 96 OK 61 61 100 100 2.4-3.4 11655/3.0=49, 3988=44...(25) HB2 CYS 125 + HA LEU 122 OK 50 51 100 98 2.2-3.6 3988=45, 1.8/3994=44...(19) HB2 CYS 73 - HA LEU 96 far 0 48 0 - 8.5-9.2 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 1 assignment used, quality = 0.99: * HB3 ASP 47 + HA GLU 44 OK 99 100 100 99 2.8-3.5 1477=93, 1.8/1471=60...(6) Violated in 0 structures by 0.00 A. Peak 1401 from aliabs.peaks (3.91, 2.02, 28.31 ppm; 4.28 A increased from 3.80 A): 2 out of 9 assignments used, quality = 0.99: HA ALA 41 + HB3 GLU 40 OK 99 99 100 100 4.0-4.3 2.1/10857=78, 1280=74...(23) HA LYS 86 + HG2 ARG 90 OK 25 36 95 72 3.7-5.1 11157/9662=34...(7) ! HA ALA 41 - HB2 GLU 44 poor 20 100 20 100 4.8-5.2 1409/1.8=90, 9064/3.0=53...(14) HA2 GLY 14 - HG2 ARG 90 far 0 65 0 - 5.6-37.1 HB2 SER 94 - HG2 ARG 90 far 0 55 0 - 5.8-7.2 HA3 GLY 14 - HG2 ARG 90 far 0 65 0 - 5.9-38.3 HA ALA 46 - HB2 GLU 44 far 0 78 0 - 7.7-7.9 HA3 GLY 75 - HG2 ARG 90 far 0 46 0 - 8.5-10.5 HB2 SER 51 - HB2 GLU 44 far 0 63 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 1402 from aliabs.peaks (8.33, 2.02, 28.31 ppm; 4.77 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 44 + HB2 GLU 44 OK 100 100 100 100 3.6-3.6 3.9=100 H GLU 44 - HB3 GLU 40 far 15 99 15 - 5.2-5.7 H ALA 21 - HG2 ARG 90 far 0 48 0 - 9.5-32.9 H TYR 72 - HG2 ARG 90 far 0 60 0 - 9.7-12.2 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 6 assignments used, quality = 1.00: * HA GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.4-2.6 3.0=100 HB2 SER 74 - HG2 ARG 90 far 0 56 0 - 6.1-9.0 HB3 SER 74 - HG2 ARG 90 far 0 51 0 - 6.7-9.0 HA GLU 44 - HB3 GLU 40 far 0 99 0 - 7.1-7.7 HA ILE 37 - HB3 GLU 40 far 0 77 0 - 7.2-7.7 HA ALA 92 - HG2 ARG 90 far 0 58 0 - 8.6-8.9 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 6 assignments used, quality = 1.00: * HB3 GLU 44 + HB2 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 39 - HB3 GLU 40 far 0 97 0 - 4.7-5.2 HB3 GLU 44 - HB3 GLU 40 far 0 99 0 - 5.7-6.4 HG3 GLU 91 - HG2 ARG 90 far 0 49 0 - 6.4-8.2 HG3 GLN 134 - HB3 GLU 40 far 0 98 0 - 9.0-12.4 HB3 LYS 39 - HB2 GLU 44 far 0 99 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 1406 from aliabs.peaks (2.31, 2.02, 28.31 ppm; 3.80 A): 3 out of 8 assignments used, quality = 1.00: * HG2 GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.7-2.9 3.0=100 HG2 GLU 40 + HB3 GLU 40 OK 65 65 100 100 2.2-3.0 3.0=100 HB VAL 77 + HG2 ARG 90 OK 41 41 100 100 2.4-4.2 2.1/9662=70, 2.1/9652=63...(26) HG2 GLU 44 - HB3 GLU 40 poor 20 99 20 - 4.1-6.3 HG2 GLU 40 - HB2 GLU 44 far 0 68 0 - 5.7-9.3 HG3 GLN 68 - HB2 GLU 44 far 0 100 0 - 7.5-9.0 HB3 GLN 134 - HB3 GLU 40 far 0 91 0 - 9.3-12.5 HG2 GLU 128 - HG2 ARG 90 far 0 39 0 - 9.6-10.3 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 4 assignments used, quality = 1.00: * HG3 GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.8-2.9 3.0=100 HG3 GLU 44 - HB3 GLU 40 far 0 99 0 - 4.6-5.4 HB2 ASP 78 - HG2 ARG 90 far 0 61 0 - 7.5-8.3 HG3 MET 11 - HG2 ARG 90 far 0 39 0 - 8.9-40.0 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 9 assignments used, quality = 0.89: * HA ALA 41 + HB3 GLU 44 OK 89 100 90 99 3.3-4.4 1281=75, 6515/6527=42...(16) HA2 GLY 14 - HB3 GLN 82 far 0 69 0 - 5.6-44.1 HA3 GLY 14 - HB3 GLN 82 far 0 68 0 - 5.7-45.4 HA LYS 86 - HB3 GLN 82 far 0 38 0 - 6.8-8.9 HB2 SER 107 - HB2 GLU 102 far 0 65 0 - 7.3-10.7 HA ALA 46 - HB3 GLU 44 far 0 78 0 - 7.4-8.4 HA3 GLY 2 - HB2 GLU 102 far 0 53 0 - 8.1-62.6 HA2 GLY 2 - HB2 GLU 102 far 0 51 0 - 8.6-63.3 HA ALA 46 - HB2 GLU 128 far 0 51 0 - 8.7-9.6 Violated in 3 structures by 0.09 A. Peak 1410 from aliabs.peaks (8.33, 2.07, 28.31 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.4-2.7 3.9=100 H TYR 72 - HB3 GLU 44 far 0 97 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 1411 from aliabs.peaks (4.04, 2.07, 28.31 ppm; 3.54 A): 2 out of 15 assignments used, quality = 1.00: * HA GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 102 + HB2 GLU 102 OK 64 64 100 100 2.2-3.0 3.0=100 HA LEU 103 - HB2 GLU 102 far 0 36 0 - 4.2-5.7 HA ALA 92 - HB2 GLU 128 far 0 65 0 - 5.0-6.1 HD3 PRO 81 - HB3 GLN 82 far 0 68 0 - 5.7-7.4 HA ARG 135 - HB3 GLN 82 far 0 43 0 - 6.2-9.4 HB3 SER 124 - HB2 GLU 128 far 0 37 0 - 6.3-7.0 HA LEU 122 - HB2 GLU 128 far 0 74 0 - 7.4-7.9 HA LEU 96 - HB2 GLU 128 far 0 67 0 - 7.7-8.3 HA LEU 119 - HB2 GLU 102 far 0 54 0 - 7.8-11.1 HA LEU 96 - HB2 GLU 102 far 0 59 0 - 8.3-10.4 HA ILE 37 - HB3 GLU 44 far 0 81 0 - 8.6-10.2 HA LEU 122 - HB2 GLU 102 far 0 66 0 - 8.6-11.4 HA LYS 95 - HB2 GLU 102 far 0 53 0 - 8.8-10.0 HA LYS 95 - HB2 GLU 128 far 0 59 0 - 9.8-10.2 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 20 assignments used, quality = 1.00: * HB2 GLU 44 + HB3 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 81 - HB3 GLN 82 poor 10 40 25 - 3.0-5.9 HG2 PRO 81 - HB3 GLN 82 far 8 55 15 - 3.0-6.0 QE MET 11 - HB2 GLU 128 far 0 73 0 - 4.5-42.4 HB2 GLN 127 - HB2 GLU 128 far 0 45 0 - 4.6-5.9 HG3 ARG 135 - HB3 GLN 82 far 0 65 0 - 4.7-8.8 HB2 PRO 81 - HB3 GLN 82 far 0 29 0 - 5.2-6.0 HB ILE 129 - HB2 GLU 128 far 0 53 0 - 5.4-6.6 HB3 GLU 40 - HB3 GLU 44 far 0 100 0 - 5.7-6.4 HG2 PRO 117 - HB2 GLU 102 far 0 34 0 - 5.8-8.7 HB3 PRO 117 - HB2 GLU 102 far 0 53 0 - 7.3-10.1 HG3 PRO 117 - HB2 GLU 102 far 0 34 0 - 7.5-10.2 HB2 GLU 91 - HB2 GLU 128 far 0 37 0 - 7.6-10.6 HB3 MET 11 - HB3 GLN 82 far 0 63 0 - 8.5-47.9 HB3 MET 11 - HB2 GLU 128 far 0 68 0 - 8.5-48.5 HB3 GLU 91 - HB2 GLU 128 far 0 70 0 - 8.6-10.5 HB2 GLN 134 - HB3 GLN 82 far 0 69 0 - 9.3-12.4 QE MET 11 - HB3 GLN 82 far 0 69 0 - 9.5-42.0 HB VAL 20 - HB3 GLN 82 far 0 45 0 - 9.9-37.9 HG3 ARG 135 - HB2 GLU 128 far 0 70 0 - 9.9-11.2 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 8 assignments used, quality = 1.00: * HG2 GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HG2 GLU 102 + HB2 GLU 102 OK 59 59 100 100 2.2-2.6 3.0=100 HG2 GLU 128 + HB2 GLU 128 OK 45 45 100 100 2.2-3.0 3.0=100 HG2 GLN 127 - HB2 GLU 128 poor 16 41 40 - 3.0-7.2 HG2 GLU 40 - HB3 GLU 44 far 0 68 0 - 4.4-8.1 HB3 GLN 101 - HB2 GLU 102 far 0 55 0 - 4.9-6.6 HG3 GLN 68 - HB3 GLU 44 far 0 100 0 - 7.0-8.7 HB3 GLN 134 - HB3 GLN 82 far 0 61 0 - 9.1-12.5 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 6 assignments used, quality = 1.00: * HG3 GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 GLU 102 + HB2 GLU 102 OK 43 43 100 100 2.6-3.0 3.0=100 HG3 GLN 127 - HB2 GLU 128 far 0 73 0 - 4.5-7.2 HG3 GLN 104 - HB2 GLU 102 far 0 60 0 - 6.9-8.6 HG3 MET 11 - HB3 GLN 82 far 0 42 0 - 9.0-49.8 HG3 MET 11 - HB2 GLU 128 far 0 45 0 - 9.1-48.6 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 2 assignments used, quality = 1.00: * H GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.2-3.3 6528=100, 1424/1.8=96...(16) H TYR 72 - HG2 GLU 44 far 0 97 0 - 8.5-11.9 Violated in 0 structures by 0.00 A. Peak 1418 from aliabs.peaks (4.04, 2.31, 34.64 ppm; 3.86 A increased from 3.63 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 44 + HG2 GLU 44 OK 100 100 100 100 3.5-3.8 3.7=100 HA GLU 102 + HG2 GLU 102 OK 84 84 100 100 3.0-4.0 3.7=100 HA LEU 103 - HG2 GLU 102 poor 15 50 30 - 3.7-6.5 HA LEU 96 - HG2 GLU 102 far 0 79 0 - 7.3-10.8 HA LYS 95 - HG2 GLU 102 far 0 71 0 - 7.7-11.2 HA ILE 37 - HG2 GLU 44 far 0 81 0 - 8.1-9.3 HA LEU 122 - HG2 GLU 102 far 0 87 0 - 8.1-11.4 HA LEU 119 - HG2 GLU 102 far 0 73 0 - 8.3-9.8 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 6 assignments used, quality = 1.00: * HB2 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.7-2.9 3.0=100 HB3 GLU 40 - HG2 GLU 44 far 15 100 15 - 4.1-6.3 HG2 PRO 117 - HG2 GLU 102 far 0 48 0 - 5.4-8.1 HG3 PRO 117 - HG2 GLU 102 far 0 48 0 - 6.8-9.8 HB3 PRO 117 - HG2 GLU 102 far 0 71 0 - 6.9-9.1 HB ILE 129 - HG2 GLU 44 far 0 81 0 - 9.3-13.3 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 7 assignments used, quality = 1.00: * HB3 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 GLU 102 + HG2 GLU 102 OK 83 83 100 100 2.2-2.6 3.0=100 HB VAL 118 - HG2 GLU 102 far 0 84 0 - 5.3-6.5 HG2 PRO 117 - HG2 GLU 102 far 0 64 0 - 5.4-8.1 HG3 PRO 117 - HG2 GLU 102 far 0 64 0 - 6.8-9.8 HB3 LYS 39 - HG2 GLU 44 far 0 99 0 - 7.8-8.9 HG3 GLN 134 - HG2 GLU 44 far 0 100 0 - 9.5-12.9 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 3 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 - 6.9-9.6 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 2 assignments used, quality = 1.00: * H GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.2-2.8 6529=100, 6528/1.8=95...(16) H TYR 72 - HG3 GLU 44 far 0 97 0 - 9.7-12.6 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 4 assignments used, quality = 1.00: * HA GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.4-4.0 3.7=96, 2.8/1424=58...(11) HA GLU 102 - HG3 GLN 104 far 0 76 0 - 5.0-6.9 HA LEU 103 - HG3 GLN 104 far 0 44 0 - 5.7-6.9 HA ILE 37 - HG3 GLU 44 far 0 81 0 - 7.8-10.4 Violated in 3 structures by 0.05 A. Peak 1426 from aliabs.peaks (2.02, 2.48, 34.64 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.8-2.9 3.0=100 HB3 GLU 40 - HG3 GLU 44 far 0 100 0 - 4.6-5.4 HB VAL 63 - HG3 GLN 104 far 0 78 0 - 4.7-6.7 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 6 assignments used, quality = 1.00: * HB3 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 GLU 102 - HG3 GLN 104 far 0 74 0 - 6.9-8.6 HB3 LYS 39 - HG3 GLU 44 far 0 99 0 - 7.2-8.6 HG3 GLN 134 - HG3 GLU 44 far 0 100 0 - 8.3-12.6 HB VAL 118 - HG3 GLN 104 far 0 76 0 - 8.7-10.2 HB2 LEU 62 - HG3 GLN 104 far 0 67 0 - 8.8-10.5 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 6 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 40 - HG3 GLU 44 far 0 68 0 - 3.9-7.0 HB3 GLN 101 - HG3 GLN 104 far 0 67 0 - 5.1-6.4 HG2 GLU 102 - HG3 GLN 104 far 0 71 0 - 6.9-9.6 HG3 GLN 68 - HG3 GLU 44 far 0 100 0 - 7.6-10.7 HB3 GLN 134 - HG3 GLU 44 far 0 95 0 - 8.8-13.2 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 2.8-2.8 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 2 assignments used, quality = 1.00: * HB2 CYS 45 + HA CYS 45 OK 100 100 100 100 2.6-3.0 3.0=100 HE2 LYS 39 - HA CYS 45 far 0 99 0 - 9.9-13.5 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 1 assignment used, quality = 1.00: * HB3 CYS 45 + HA CYS 45 OK 100 100 100 100 2.3-2.6 3.0=100 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 3.2-3.5 6585/1438=88...(13) H ALA 52 - HA CYS 45 far 0 78 0 - 8.2-8.9 H SER 130 - HA CYS 45 far 0 95 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 1437 from aliabs.peaks (1.78, 4.11, 62.25 ppm; 4.62 A increased from 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 48 + HA CYS 45 OK 100 100 100 100 4.4-4.7 1.8/1438=86...(14) Violated in 1 structures by 0.01 A. Peak 1438 from aliabs.peaks (1.89, 4.11, 62.25 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 48 + HA CYS 45 OK 100 100 100 100 2.8-3.5 1.8/1437=69...(17) HB3 LEU 49 - HA CYS 45 far 0 81 0 - 7.7-8.4 HB2 GLU 40 - HA CYS 45 far 0 100 0 - 9.5-11.1 Violated in 0 structures by 0.00 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 2.9-3.4 1295=100, 1445/1.8=77...(10) 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 2.2-2.7 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 3 assignments used, quality = 1.00: * HA CYS 45 + HB2 CYS 45 OK 100 100 100 100 2.6-3.0 3.0=100 HA LEU 48 - HB2 CYS 45 far 0 93 0 - 7.8-8.0 HA LEU 49 - HB2 CYS 45 far 0 99 0 - 8.5-9.8 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 2 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 - 7.9-8.7 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 2.6-3.7 4.4=100 Violated in 0 structures by 0.00 A. Peak 1445 from aliabs.peaks (3.47, 3.12, 26.00 ppm; 5.21 A increased from 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HB3 CYS 45 OK 100 100 100 100 4.5-5.1 1295/1.8=90...(6) Violated in 0 structures by 0.00 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 3.5-3.6 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 3 assignments used, quality = 1.00: * HA CYS 45 + HB3 CYS 45 OK 100 100 100 100 2.3-2.6 3.0=100 HA LEU 48 - HB3 CYS 45 far 0 93 0 - 7.0-7.3 HA LEU 49 - HB3 CYS 45 far 0 99 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 1 assignment used, quality = 1.00: * HB2 CYS 45 + HB3 CYS 45 OK 100 100 100 100 1.8-1.8 1.8=100 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 3.6-4.1 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 2.8-2.9 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 1 assignment used, quality = 1.00: * QB ALA 46 + HA ALA 46 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1454 from aliabs.peaks (8.46, 3.89, 55.30 ppm; 5.49 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 47 + HA ALA 46 OK 100 100 100 100 3.5-3.5 3.6=100 H LEU 70 - HA ALA 46 far 0 99 0 - 7.4-7.6 H VAL 132 - HA ALA 46 far 0 92 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 1455 from aliabs.peaks (8.30, 3.89, 55.30 ppm; 4.92 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 49 + HA ALA 46 OK 100 100 100 100 4.0-4.4 6593=75, 6573/3.6=59...(16) H LEU 69 - HA ALA 46 far 0 100 0 - 5.6-6.1 H VAL 126 - HA ALA 46 far 0 81 0 - 6.4-6.9 H LEU 43 - HA ALA 46 far 0 95 0 - 6.9-7.1 H ASP 131 - HA ALA 46 far 0 63 0 - 7.5-8.2 H TYR 72 - HA ALA 46 far 0 81 0 - 8.1-8.6 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 6 assignments used, quality = 1.00: * HA LEU 43 + QB ALA 46 OK 94 100 100 94 2.0-2.4 1348=47, 1345/9176=36...(13) HA SER 130 + QB ALA 46 OK 86 100 95 91 3.0-3.7 11747/9176=32...(15) HB3 SER 130 + QB ALA 46 OK 85 100 100 86 2.0-3.6 10508=39, 1.8/11718=37...(9) HA VAL 133 - QB ALA 46 far 0 98 0 - 7.5-7.7 HA ARG 90 - QB ALA 46 far 0 78 0 - 9.1-10.1 HA GLU 97 - QB ALA 46 far 0 92 0 - 10.0-10.4 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 2.1-2.1 3.1=100 H HIS 4 - QB ALA 46 far 0 83 0 - 9.7-54.0 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 5 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 far 0 95 0 - 4.9-6.4 HA ALA 41 - QB ALA 46 far 0 78 0 - 7.4-7.6 HA LEU 70 - QB ALA 46 far 0 97 0 - 7.6-7.8 HA3 GLY 2 - QB ALA 46 far 0 100 0 - 9.1-58.7 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 2.9-3.0 3.7=100 H VAL 132 - QB ALA 46 far 0 92 0 - 6.3-6.8 H LEU 70 - QB ALA 46 far 0 99 0 - 7.2-7.4 H VAL 93 - QB ALA 46 far 0 81 0 - 8.1-8.7 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 2 assignments used, quality = 1.00: * H ASP 47 + HA ASP 47 OK 100 100 100 100 2.9-2.9 2.9=100 H VAL 132 - HA GLN 134 far 0 61 0 - 7.0-7.2 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 5 assignments used, quality = 1.00: * HB2 ASP 47 + HA ASP 47 OK 100 100 100 100 2.5-2.9 3.0=100 HB3 ASP 35 - HA LYS 24 far 0 78 0 - 6.2-16.7 HB2 ASN 85 - HA GLN 134 far 0 40 0 - 7.1-8.7 HB3 ASP 78 - HA LYS 24 far 0 81 0 - 7.3-19.6 HB2 CYS 73 - HA LYS 24 far 0 59 0 - 9.4-25.4 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 5 assignments used, quality = 1.00: * HB3 ASP 47 + HA ASP 47 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 ASN 116 - HA ASN 59 far 0 49 0 - 5.6-6.8 HB3 ASP 131 - HA GLN 134 far 0 40 0 - 7.5-7.9 HB3 ASN 85 - HA GLN 134 far 0 63 0 - 7.8-8.5 HB3 ASP 71 - HA LYS 24 far 0 51 0 - 9.4-24.4 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 5 assignments used, quality = 1.00: * H LEU 48 + HA ASP 47 OK 100 100 100 100 3.5-3.5 3.6=100 H SER 130 - HA ASP 47 far 0 95 0 - 6.4-7.3 H ALA 52 - HA ASP 47 far 0 78 0 - 6.5-6.9 H SER 130 - HA GLN 134 far 0 64 0 - 8.4-9.4 H CYS 125 - HA ASP 47 far 0 99 0 - 9.9-10.7 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 1 assignment used, quality = 1.00: * H SER 50 + HA ASP 47 OK 100 100 100 100 3.6-3.9 3.9/1469=75, 6590/3.6=75...(11) Violated in 0 structures by 0.00 A. Peak 1469 from aliabs.peaks (3.82, 4.34, 56.63 ppm; 4.42 A increased from 4.16 A): 1 out of 11 assignments used, quality = 0.98: * HB2 SER 50 + HA ASP 47 OK 98 100 100 98 2.9-4.4 1596=71, 1.8/1602=68...(7) HB2 SER 130 - HA ASP 47 poor 20 100 20 - 4.8-6.4 HA LEU 62 - HA ASN 59 far 0 55 0 - 5.3-5.8 HB2 SER 130 - HA GLN 134 far 0 71 0 - 6.4-9.2 HD2 PRO 81 - HA GLN 134 far 0 38 0 - 6.6-7.7 HA LEU 123 - HA ASP 47 far 0 65 0 - 6.9-8.0 HD3 PRO 58 - HA ASN 59 far 0 59 0 - 7.0-7.0 HA GLU 40 - HA GLN 134 far 0 71 0 - 7.7-8.7 HB3 SER 33 - HA LYS 24 far 0 76 0 - 8.8-18.2 HA VAL 118 - HA ASN 59 far 0 45 0 - 8.8-10.2 HA GLU 40 - HA ASP 47 far 0 99 0 - 9.6-10.3 Violated in 1 structures by 0.00 A. Peak 1470 from aliabs.peaks (3.88, 4.34, 56.63 ppm; 4.71 A): 2 out of 11 assignments used, quality = 1.00: * HB3 SER 50 + HA ASP 47 OK 100 100 100 100 2.6-4.8 1602=94, 1.8/1596=64...(8) HA ALA 46 + HA ASP 47 OK 94 95 100 99 4.7-4.7 2.1/10901=67, ~6568=54...(12) HB2 SER 60 - HA ASN 59 far 0 29 0 - 5.6-6.6 HB3 SER 60 - HA ASN 59 far 0 29 0 - 5.6-6.6 HD2 PRO 81 - HA GLN 134 far 0 40 0 - 6.6-7.7 HA3 GLY 2 - HA ASP 47 far 0 87 0 - 6.8-72.7 HA LEU 123 - HA ASP 47 far 0 63 0 - 6.9-8.0 HA2 GLY 114 - HA ASN 59 far 0 60 0 - 7.6-10.5 HA2 GLY 2 - HA ASP 47 far 0 89 0 - 8.1-72.7 HB2 SER 33 - HA LYS 24 far 0 46 0 - 8.1-18.4 HA LEU 70 - HA LYS 24 far 0 84 0 - 9.0-25.7 Violated in 0 structures by 0.00 A. Peak 1471 from aliabs.peaks (4.04, 2.72, 39.77 ppm; 4.33 A increased from 4.08 A): 1 out of 4 assignments used, quality = 0.99: * HA GLU 44 + HB2 ASP 47 OK 99 100 100 99 3.3-4.2 1400/1.8=89...(6) HB3 SER 74 - HB3 ASP 78 far 0 78 0 - 6.2-8.4 HB2 SER 74 - HB3 ASP 78 far 0 85 0 - 7.1-8.4 HB THR 65 - HB2 ASP 47 far 0 76 0 - 9.6-10.8 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 5 assignments used, quality = 1.00: * HA ASP 47 + HB2 ASP 47 OK 100 100 100 100 2.5-2.9 3.0=100 HA2 GLY 75 - HB3 ASP 78 far 0 88 0 - 4.6-5.2 HA LYS 24 - HB3 ASP 78 far 0 92 0 - 7.3-19.6 HA ASP 131 - HB2 ASP 47 far 0 60 0 - 8.6-11.7 HA LEU 69 - HB2 ASP 47 far 0 97 0 - 9.8-10.7 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 HB2 ASN 13 - HB3 ASP 78 far 0 82 0 - 7.6-33.1 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 2 assignments used, quality = 1.00: * HA GLU 44 + HB3 ASP 47 OK 100 100 100 100 2.8-3.5 1400=100, 1471/1.8=63...(6) HB THR 65 - HB3 ASP 47 far 0 76 0 - 9.5-10.3 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 1 assignment used, quality = 1.00: * H ASP 47 + HB3 ASP 47 OK 100 100 100 100 2.1-2.6 4.0=100 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 3 assignments used, quality = 1.00: * HA ASP 47 + HB3 ASP 47 OK 100 100 100 100 2.8-3.0 3.0=100 HA LEU 69 - HB3 ASP 47 far 0 97 0 - 9.4-9.9 HA ASP 131 - HB3 ASP 47 far 0 60 0 - 9.7-11.8 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 2.6-3.3 4.7=100 H ALA 52 - HB3 ASP 47 far 0 78 0 - 7.2-8.5 H SER 130 - HB3 ASP 47 far 0 95 0 - 7.6-9.4 Violated in 0 structures by 0.00 A. Peak 1483 from aliabs.peaks (8.05, 4.10, 58.01 ppm; 4.91 A): 3 out of 5 assignments used, quality = 1.00: * H LEU 48 + HA LEU 48 OK 100 100 100 100 2.7-2.8 2.9=100 H ALA 52 + HA LEU 48 OK 77 78 100 99 3.7-4.4 4.6/1621=61, 4.6/1615=59...(12) H ALA 52 + HA LEU 49 OK 38 38 100 100 3.2-3.6 2.9/1631=48, ~6610=40...(22) H LEU 48 - HA LEU 49 far 3 57 5 - 5.5-5.7 H CYS 125 - HA LEU 49 far 0 55 0 - 9.0-9.8 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 10 assignments used, quality = 1.00: * HB2 LEU 48 + HA LEU 48 OK 100 100 100 100 2.5-2.7 3.0=100 HB3 LEU 98 + HA LEU 98 OK 94 94 100 100 2.2-2.7 3.0=100 HB3 LEU 103 + HA GLN 104 OK 73 74 100 99 4.2-4.5 7488/3.0=58...(19) HB2 LEU 48 + HA LEU 49 OK 56 57 100 98 3.8-4.2 6598/2.9=56, ~6600=24...(25) HB3 LEU 122 - HA LEU 49 far 0 52 0 - 5.8-9.0 HG LEU 100 - HA LEU 98 far 0 93 0 - 6.7-7.2 HB3 LEU 122 - HA LEU 98 far 0 89 0 - 7.2-10.8 HB3 LEU 103 - HA LEU 98 far 0 85 0 - 7.9-8.8 HG LEU 100 - HA GLN 104 far 0 83 0 - 8.0-8.7 HG LEU 100 - HA LEU 49 far 0 56 0 - 8.4-9.1 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 7 assignments used, quality = 1.00: * HB3 LEU 48 + HA LEU 48 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 LEU 49 + HA LEU 49 OK 40 40 100 100 2.4-2.6 3.0=100 HB3 LEU 48 + HA LEU 49 OK 28 57 50 98 4.2-4.8 ~6598=36, 6599/2.9=30...(26) HB3 LEU 123 - HA LEU 49 far 0 49 0 - 5.2-6.6 HB3 LEU 49 - HA LEU 48 far 0 81 0 - 6.5-6.6 HB3 LEU 123 - HA LEU 48 far 0 93 0 - 8.6-10.3 HB3 LEU 119 - HA LEU 49 far 0 40 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 1487 from aliabs.peaks (1.71, 4.10, 58.01 ppm; 4.25 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 48 + HA LEU 48 OK 100 100 100 100 2.4-3.2 3.7=100 HG LEU 98 + HA LEU 98 OK 94 94 100 100 2.9-3.7 3.7=100 HG LEU 48 - HA LEU 49 far 0 57 0 - 6.5-6.5 HB3 LEU 70 - HA LEU 98 far 0 95 0 - 9.3-10.0 HB2 LEU 70 - HA LEU 98 far 0 92 0 - 9.4-9.8 HB2 LEU 43 - HA LEU 48 far 0 97 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 1488 from aliabs.peaks (0.90, 4.10, 58.01 ppm; 3.75 A): 5 out of 21 assignments used, quality = 1.00: * QD2 LEU 48 + HA LEU 48 OK 100 100 100 100 1.9-2.6 3.8=95, 10961/1615=37...(22) QD1 LEU 48 + HA LEU 48 OK 93 93 100 100 3.8-3.8 4.0=80, 2.1/3193=53...(22) QD2 LEU 98 + HA LEU 98 OK 86 86 100 100 2.0-4.1 2.1/3185=85, 4.0=84...(20) QG2 VAL 63 + HA GLN 104 OK 73 73 100 100 2.0-2.8 2.1/11433=60...(21) QD1 LEU 49 + HA LEU 49 OK 45 45 100 99 3.4-3.5 4.1=78, 2.1/1573=66...(14) QD1 LEU 49 - HA LEU 48 far 0 89 0 - 4.7-5.4 QD1 LEU 62 - HA LEU 49 far 0 44 0 - 4.7-5.5 QD2 LEU 48 - HA LEU 49 far 0 57 0 - 4.8-5.6 QD2 LEU 69 - HA LEU 49 far 0 28 0 - 5.1-5.5 QD1 LEU 48 - HA LEU 49 far 0 49 0 - 5.4-5.7 QD2 LEU 69 - HA LEU 48 far 0 60 0 - 5.7-6.1 QD2 LEU 123 - HA LEU 49 far 0 50 0 - 5.9-6.7 QG1 VAL 118 - HA GLN 104 far 0 85 0 - 6.1-6.3 QG1 VAL 118 - HA LEU 98 far 0 94 0 - 6.2-7.0 QD1 LEU 62 - HA GLN 104 far 0 68 0 - 7.4-8.1 QG2 VAL 63 - HA LEU 49 far 0 48 0 - 7.8-8.3 QD2 LEU 123 - HA LEU 48 far 0 95 0 - 8.2-9.0 QD1 LEU 62 - HA LEU 48 far 0 87 0 - 8.5-9.1 QG1 VAL 118 - HA LEU 49 far 0 57 0 - 8.6-9.4 QG2 VAL 63 - HA LEU 98 far 0 83 0 - 9.0-9.8 QG2 VAL 112 - HA GLN 104 far 0 47 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 1489 from aliabs.peaks (0.91, 4.10, 58.01 ppm; 3.69 A): 5 out of 23 assignments used, quality = 1.00: * QD1 LEU 48 + HA LEU 48 OK 100 100 100 100 3.8-3.8 4.0=76, 2.1/3193=52...(22) QD2 LEU 48 + HA LEU 48 OK 93 93 100 100 1.9-2.6 3.8=91, 10961/1615=33...(22) QG2 VAL 63 + HA GLN 104 OK 85 85 100 100 2.0-2.8 2.1/11433=58...(21) QD2 LEU 98 + HA LEU 98 OK 57 57 100 100 2.0-4.1 2.1/3185=84, 4.0=80...(20) QD1 LEU 49 + HA LEU 49 OK 57 57 100 99 3.4-3.5 4.1=74, 2.1/1573=64...(15) QD1 LEU 49 - HA LEU 48 far 0 100 0 - 4.7-5.4 QD1 LEU 62 - HA LEU 49 far 0 57 0 - 4.7-5.5 QD2 LEU 48 - HA LEU 49 far 0 49 0 - 4.8-5.6 QD1 LEU 123 - HA LEU 49 far 0 46 0 - 5.1-6.0 QD1 LEU 48 - HA LEU 49 far 0 57 0 - 5.4-5.7 QD2 LEU 123 - HA LEU 49 far 0 31 0 - 5.9-6.7 QG1 VAL 118 - HA GLN 104 far 0 71 0 - 6.1-6.3 QG1 VAL 118 - HA LEU 98 far 0 82 0 - 6.2-7.0 QD1 LEU 62 - HA GLN 104 far 0 84 0 - 7.4-8.1 QD1 LEU 123 - HA LEU 48 far 0 90 0 - 7.5-8.0 QG2 VAL 63 - HA LEU 49 far 0 57 0 - 7.8-8.3 QD1 LEU 119 - HA GLN 104 far 0 44 0 - 8.1-9.1 QD2 LEU 123 - HA LEU 48 far 0 65 0 - 8.2-9.0 QD1 LEU 62 - HA LEU 48 far 0 100 0 - 8.5-9.1 QG1 VAL 118 - HA LEU 49 far 0 46 0 - 8.6-9.4 QG2 VAL 63 - HA LEU 98 far 0 95 0 - 9.0-9.8 QG2 VAL 112 - HA GLN 104 far 0 74 0 - 9.1-10.1 QD1 LEU 119 - HA LEU 49 far 0 28 0 - 9.2-9.7 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 8 assignments used, quality = 1.00: * H LEU 49 + HA LEU 48 OK 100 100 100 100 3.6-3.6 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 2.7-2.7 2.9=100 H ALA 110 - HA GLN 104 far 0 73 0 - 6.6-10.3 H LEU 96 - HA LEU 98 far 0 62 0 - 6.8-7.0 H VAL 126 - HA LEU 49 far 0 40 0 - 7.6-8.2 H LEU 69 - HA LEU 49 far 0 57 0 - 7.7-8.5 H LEU 69 - HA LEU 48 far 0 100 0 - 9.4-9.9 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 3.5-3.7 1616/1615=89...(19) H SER 51 + HA LEU 49 OK 57 57 100 100 3.9-4.3 6610/2.9=92, ~6619=58...(14) H SER 94 - HA LEU 98 far 0 92 0 - 8.4-9.2 H VAL 57 - HA LEU 49 far 0 40 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 1492 from aliabs.peaks (3.94, 4.10, 58.01 ppm; 4.14 A): 2 out of 15 assignments used, quality = 1.00: * HB2 SER 51 + HA LEU 48 OK 100 100 100 100 2.4-3.5 1615=100, 1.8/1621=82...(9) HB3 SER 107 + HA GLN 104 OK 30 69 100 43 2.0-4.5 7481/3.0=20...(5) HB2 SER 107 - HA GLN 104 poor 14 55 100 25 2.8-4.6 ~7481=15, 10858=6, ~3489=4 HB2 SER 51 - HA LEU 49 far 0 57 0 - 5.1-5.4 HA THR 65 - HA LEU 49 far 0 29 0 - 5.8-6.6 HA LEU 100 - HA GLN 104 far 0 60 0 - 6.1-6.5 HA LEU 100 - HA LEU 98 far 0 69 0 - 6.4-6.9 HB2 SER 106 - HA GLN 104 far 0 55 0 - 6.5-7.8 HB3 SER 94 - HA LEU 98 far 0 50 0 - 6.9-8.3 HA THR 65 - HA LEU 48 far 0 63 0 - 7.3-7.9 HA GLN 127 - HA LEU 49 far 0 32 0 - 8.0-8.8 HA GLN 127 - HA LEU 48 far 0 68 0 - 8.6-9.5 HA2 GLY 111 - HA GLN 104 far 0 78 0 - 9.1-11.7 HA LEU 100 - HA LEU 49 far 0 38 0 - 9.9-10.6 HB2 SER 106 - HA LEU 98 far 0 65 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 1493 from aliabs.peaks (3.98, 4.10, 58.01 ppm; 3.99 A): 2 out of 19 assignments used, quality = 1.00: * HB3 SER 51 + HA LEU 48 OK 100 100 100 100 3.2-4.0 1621=100, 1.8/1615=73...(8) HB3 SER 107 + HA GLN 104 OK 23 60 100 39 2.0-4.5 7481/3.0=17...(5) HA SER 60 - HA GLN 104 poor 14 47 100 29 3.2-4.6 11019/11433=29 HA SER 50 - HA LEU 49 far 0 48 0 - 4.8-4.9 HA THR 65 - HA LEU 49 far 0 52 0 - 5.8-6.6 HB3 SER 51 - HA LEU 49 far 0 57 0 - 6.0-6.7 HB3 SER 99 - HA LEU 98 far 0 82 0 - 6.1-6.6 HA LEU 100 - HA GLN 104 far 0 69 0 - 6.1-6.5 HB3 SER 106 - HA GLN 104 far 0 85 0 - 6.3-8.3 HA LEU 100 - HA LEU 98 far 0 80 0 - 6.4-6.9 HB2 SER 106 - HA GLN 104 far 0 73 0 - 6.5-7.8 HA SER 50 - HA LEU 48 far 0 92 0 - 6.8-6.9 HB3 SER 94 - HA LEU 98 far 0 91 0 - 6.9-8.3 HA THR 65 - HA LEU 48 far 0 97 0 - 7.3-7.9 HA GLN 127 - HA LEU 49 far 0 50 0 - 8.0-8.8 HA GLN 127 - HA LEU 48 far 0 95 0 - 8.6-9.5 HB3 SER 99 - HA GLN 104 far 0 71 0 - 9.2-10.8 HA LEU 100 - HA LEU 49 far 0 45 0 - 9.9-10.6 HB2 SER 106 - HA LEU 98 far 0 83 0 - 9.9-13.7 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 LEU 49 + HB2 LEU 48 OK 98 99 100 99 3.8-4.2 2.9/6598=60...(26) * HA CYS 45 + HB2 LEU 48 OK 95 100 95 100 4.4-4.7 1438/1.8=72, 1437=70...(14) HA LEU 48 + HB2 LEU 48 OK 93 93 100 100 2.5-2.7 3.0=100 HA LEU 98 + HB3 LEU 98 OK 85 85 100 100 2.2-2.7 3.0=100 HA LEU 49 - HB3 LEU 122 far 0 64 0 - 5.8-9.0 HA ALA 52 - HB2 LEU 48 far 0 89 0 - 6.3-6.9 HA LEU 98 - HB3 LEU 122 far 0 63 0 - 7.2-10.8 HA GLN 101 - HB3 LEU 98 far 0 85 0 - 7.6-8.2 HA GLN 101 - HB3 LEU 122 far 0 63 0 - 8.5-11.3 HA3 GLY 114 - HB3 LEU 122 far 0 62 0 - 9.0-13.1 HA ALA 52 - HB3 LEU 122 far 0 53 0 - 9.6-13.2 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 4 assignments used, quality = 1.00: * H LEU 48 + HB2 LEU 48 OK 100 100 100 100 3.5-3.6 3.9=100 H ALA 52 + HB2 LEU 48 OK 75 78 100 96 4.4-4.9 9227/3.1=56, 1483/3.0=29...(16) H CYS 125 + HB3 LEU 122 OK 57 64 90 100 5.2-5.6 10366/3.1=76...(15) H ALA 52 - HB3 LEU 122 far 0 45 0 - 8.3-12.0 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 9 assignments used, quality = 1.00: * HA LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.5-2.7 3.0=100 HA LEU 49 + HB2 LEU 48 OK 98 99 100 99 3.8-4.2 2.9/6598=61...(26) HA CYS 45 + HB2 LEU 48 OK 88 93 95 100 4.4-4.7 1438/1.8=65, 1437=65...(14) HA LEU 98 + HB3 LEU 98 OK 87 87 100 100 2.2-2.7 3.0=100 HA LEU 49 - HB3 LEU 122 far 0 64 0 - 5.8-9.0 HA LEU 98 - HB3 LEU 122 far 0 64 0 - 7.2-10.8 HA GLN 101 - HB3 LEU 98 far 0 87 0 - 7.6-8.2 HA GLN 101 - HB3 LEU 122 far 0 64 0 - 8.5-11.3 HA3 GLY 114 - HB3 LEU 122 far 0 43 0 - 9.0-13.1 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 7 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 - HB3 LEU 122 poor 7 46 50 32 3.9-6.9 ~3872=5, ~3872=5...(11) HB3 LEU 123 - HB3 LEU 122 far 0 57 0 - 4.4-6.3 HB3 LEU 49 - HB2 LEU 48 far 0 81 0 - 5.7-6.2 HB3 LEU 119 - HB3 LEU 122 far 0 46 0 - 6.2-7.7 HB3 LEU 123 - HB2 LEU 48 far 0 93 0 - 9.0-10.4 HB3 LEU 48 - HB3 LEU 122 far 0 66 0 - 9.3-11.9 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 4 assignments used, quality = 1.00: * HG LEU 48 + HB2 LEU 48 OK 100 100 100 100 3.0-3.0 3.0=100 HG LEU 98 + HB3 LEU 98 OK 88 88 100 100 2.6-3.0 3.0=100 HG LEU 98 - HB3 LEU 122 far 0 65 0 - 8.7-11.9 HB3 LEU 70 - HB3 LEU 122 far 0 66 0 - 9.5-11.0 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 19 assignments used, quality = 1.00: * QD2 LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.0-2.4 3.1=100 QD1 LEU 48 + HB2 LEU 48 OK 93 93 100 100 2.2-2.6 3.1=100 QD1 LEU 49 + HB2 LEU 48 OK 84 89 100 95 3.3-4.2 4.7/6598=36...(19) QD2 LEU 98 + HB3 LEU 98 OK 80 80 100 100 2.3-3.1 3.1=100 QG1 VAL 118 + HB3 LEU 122 OK 42 66 70 91 3.7-4.7 11748/3.5=43...(16) QD1 LEU 62 - HB3 LEU 122 poor 18 51 35 - 3.8-6.7 QD2 LEU 69 - HB2 LEU 48 far 0 60 0 - 4.8-5.2 QD1 LEU 49 - HB3 LEU 122 far 0 53 0 - 5.3-7.0 QD2 LEU 123 - HB3 LEU 122 far 0 58 0 - 5.8-7.4 QG1 VAL 118 - HB3 LEU 98 far 0 88 0 - 5.9-7.6 QG2 VAL 63 - HB3 LEU 122 far 0 55 0 - 6.3-7.1 QD2 LEU 69 - HB3 LEU 122 far 0 33 0 - 7.1-8.2 QD2 LEU 98 - HB3 LEU 122 far 0 58 0 - 7.1-10.5 QD1 LEU 62 - HB2 LEU 48 far 0 87 0 - 7.8-8.4 QD2 LEU 123 - HB2 LEU 48 far 0 95 0 - 8.9-9.5 QG2 VAL 63 - HB2 LEU 48 far 0 92 0 - 9.6-10.2 QD2 LEU 48 - HB3 LEU 122 far 0 66 0 - 9.7-12.1 QD1 LEU 48 - HB3 LEU 122 far 0 57 0 - 9.8-11.5 QG2 VAL 63 - HB3 LEU 98 far 0 77 0 - 9.9-11.4 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 20 assignments used, quality = 1.00: * QD1 LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.2-2.6 3.1=100 QD1 LEU 49 + HB2 LEU 48 OK 95 100 100 95 3.3-4.2 10966/10991=38...(19) QD2 LEU 48 + HB2 LEU 48 OK 93 93 100 100 2.0-2.4 3.1=100 QD2 LEU 98 + HB3 LEU 98 OK 52 52 100 100 2.3-3.1 3.1=100 QG1 VAL 118 + HB3 LEU 122 OK 31 54 65 87 3.7-4.7 11748/3.5=34...(16) QD1 LEU 62 - HB3 LEU 122 poor 20 65 30 - 3.8-6.7 QD1 LEU 49 - HB3 LEU 122 far 0 66 0 - 5.3-7.0 QD1 LEU 123 - HB3 LEU 122 far 0 54 0 - 5.4-6.9 QD2 LEU 123 - HB3 LEU 122 far 0 36 0 - 5.8-7.4 QG1 VAL 118 - HB3 LEU 98 far 0 75 0 - 5.9-7.6 QG2 VAL 63 - HB3 LEU 122 far 0 66 0 - 6.3-7.1 QD1 LEU 119 - HB3 LEU 122 far 0 33 0 - 6.8-7.8 QD2 LEU 98 - HB3 LEU 122 far 0 36 0 - 7.1-10.5 QD1 LEU 62 - HB2 LEU 48 far 0 100 0 - 7.8-8.4 QD1 LEU 123 - HB2 LEU 48 far 0 90 0 - 7.8-8.6 QD2 LEU 123 - HB2 LEU 48 far 0 65 0 - 8.9-9.5 QG2 VAL 63 - HB2 LEU 48 far 0 100 0 - 9.6-10.2 QD2 LEU 48 - HB3 LEU 122 far 0 57 0 - 9.7-12.1 QD1 LEU 48 - HB3 LEU 122 far 0 66 0 - 9.8-11.5 QG2 VAL 63 - HB3 LEU 98 far 0 89 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 1502 from aliabs.peaks (8.30, 1.78, 41.65 ppm; 4.84 A): 3 out of 9 assignments used, quality = 1.00: * H LEU 49 + HB2 LEU 48 OK 100 100 100 100 2.6-3.1 4.6=100 H SER 99 + HB3 LEU 98 OK 84 84 100 100 3.0-4.2 4.6=100 H VAL 126 + HB3 LEU 122 OK 41 46 95 94 4.7-5.5 10405/1.8=58...(12) H SER 99 - HB3 LEU 122 far 3 62 5 - 3.9-7.5 H LEU 96 - HB3 LEU 122 far 0 39 0 - 6.0-8.4 H LEU 96 - HB3 LEU 98 far 0 57 0 - 6.6-7.1 H LEU 49 - HB3 LEU 122 far 0 66 0 - 7.4-9.9 H LEU 69 - HB2 LEU 48 far 0 100 0 - 7.5-8.2 H LEU 69 - HB3 LEU 122 far 0 66 0 - 9.0-9.5 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 4 assignments used, quality = 1.00: * HA CYS 45 + HB3 LEU 48 OK 100 100 100 100 2.8-3.5 1438=100, 1437/1.8=81...(17) HA LEU 49 + HB3 LEU 48 OK 99 99 100 100 4.2-4.8 ~6598=52, 2.9/6599=41...(26) HA LEU 48 + HB3 LEU 48 OK 93 93 100 100 2.9-3.0 3.0=100 HA ALA 52 - HB3 LEU 48 far 0 89 0 - 7.6-8.4 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 3 assignments used, quality = 1.00: * H LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.2-2.6 3.9=100 H ALA 52 + HB3 LEU 48 OK 53 78 70 96 5.4-6.1 9227/3.1=58, 1495/1.8=33...(14) H SER 130 - HB3 LEU 48 far 0 95 0 - 9.7-10.5 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 3 assignments used, quality = 1.00: * HA LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.9-3.0 3.0=100 HA LEU 49 + HB3 LEU 48 OK 99 99 100 100 4.2-4.8 ~6598=52, 2.9/6599=41...(27) HA CYS 45 + HB3 LEU 48 OK 93 93 100 100 2.8-3.5 1438=90, 1437/1.8=72...(17) 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 2 assignments used, quality = 1.00: * HB2 LEU 48 + HB3 LEU 48 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 122 - HB3 LEU 48 far 0 97 0 - 9.3-11.9 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 2.4-2.6 3.0=100 HB2 LEU 43 - HB3 LEU 48 far 0 97 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 1509 from aliabs.peaks (0.90, 1.89, 41.65 ppm; 4.33 A): 4 out of 6 assignments used, quality = 1.00: * QD2 LEU 48 + HB3 LEU 48 OK 100 100 100 100 3.1-3.2 3.1=100 QD1 LEU 48 + HB3 LEU 48 OK 93 93 100 100 2.1-2.4 3.1=100 QD1 LEU 49 + HB3 LEU 48 OK 83 89 100 94 2.4-3.6 10966/9201=32...(16) QD2 LEU 69 + HB3 LEU 48 OK 24 60 100 40 3.6-4.0 11044/9201=15...(7) QD1 LEU 62 - HB3 LEU 48 far 0 87 0 - 8.3-9.3 QD2 LEU 123 - HB3 LEU 48 far 0 95 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 1510 from aliabs.peaks (0.91, 1.89, 41.65 ppm; 4.34 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.1-2.4 3.1=100 QD1 LEU 49 + HB3 LEU 48 OK 96 100 100 96 2.4-3.6 10966/9201=37, 1583=28...(17) QD2 LEU 48 + HB3 LEU 48 OK 93 93 100 100 3.1-3.2 3.1=100 QD1 LEU 123 - HB3 LEU 48 far 0 90 0 - 7.8-8.5 QD1 LEU 62 - HB3 LEU 48 far 0 100 0 - 8.3-9.3 QD2 LEU 123 - HB3 LEU 48 far 0 65 0 - 9.1-9.9 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 2.1-2.6 4.6=100 H LEU 69 - HB3 LEU 48 far 0 100 0 - 6.4-7.1 H VAL 126 - HB3 LEU 48 far 0 81 0 - 9.4-10.4 H LEU 43 - HB3 LEU 48 far 0 95 0 - 9.4-10.0 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 2.2-3.1 6586=100, 6585/3.0=84...(22) H ALA 52 - HG LEU 48 far 0 78 0 - 5.9-7.1 H CYS 125 - HG LEU 98 far 0 96 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 1513 from aliabs.peaks (4.10, 1.71, 26.79 ppm; 3.88 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 48 + HG LEU 48 OK 100 100 100 100 2.4-3.2 3.7=100 HA LEU 98 + HG LEU 98 OK 97 97 100 100 2.9-3.7 3.7=100 HA CYS 45 + HG LEU 48 OK 92 93 100 99 2.0-4.3 1529/2.1=60, 10886=47...(14) HA LEU 49 - HG LEU 48 far 0 99 0 - 6.5-6.5 HA GLN 101 - HG LEU 98 far 0 97 0 - 8.4-9.8 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 5 assignments used, quality = 1.00: * HB2 LEU 48 + HG LEU 48 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 98 + HG LEU 98 OK 98 98 100 100 2.6-3.0 3.0=100 HG LEU 100 - HG LEU 98 far 0 97 0 - 7.2-9.7 HB3 LEU 103 - HG LEU 98 far 0 89 0 - 8.6-11.6 HB3 LEU 122 - HG LEU 98 far 0 93 0 - 8.7-11.9 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 3 assignments used, quality = 1.00: * HB3 LEU 48 + HG LEU 48 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 LEU 49 - HG LEU 48 far 0 81 0 - 7.8-8.2 HB2 MET 11 - HG LEU 98 far 0 69 0 - 9.2-37.9 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 7 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 QD1 LEU 49 - HG LEU 48 far 0 89 0 - 4.2-5.9 QD2 LEU 69 - HG LEU 48 far 0 60 0 - 4.5-6.1 QG1 VAL 118 - HG LEU 98 far 0 98 0 - 5.7-8.7 QG2 VAL 63 - HG LEU 98 far 0 88 0 - 9.7-12.3 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 8 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 QD1 LEU 49 - HG LEU 48 far 0 100 0 - 4.2-5.9 QG1 VAL 118 - HG LEU 98 far 0 86 0 - 5.7-8.7 QD1 LEU 123 - HG LEU 48 far 0 90 0 - 9.1-9.8 QG2 VAL 63 - HG LEU 98 far 0 98 0 - 9.7-12.3 QG2 ILE 37 - HG LEU 48 far 0 71 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 1519 from aliabs.peaks (8.30, 1.71, 26.79 ppm; 4.95 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 49 + HG LEU 48 OK 100 100 100 100 4.2-4.7 6600=100, 6589/6586=81...(26) H SER 99 + HG LEU 98 OK 95 95 100 100 2.3-5.1 3191/2.1=76, 3166/3.0=74...(14) H LEU 96 - HG LEU 98 far 10 67 15 - 5.4-6.4 H LEU 69 - HG LEU 48 far 0 100 0 - 7.6-9.6 H LEU 43 - HG LEU 48 far 0 95 0 - 8.6-10.5 H VAL 126 - HG LEU 98 far 0 76 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 1520 from aliabs.peaks (8.05, 0.90, 23.93 ppm; 5.05 A): 3 out of 6 assignments used, quality = 1.00: * H LEU 48 + QD2 LEU 48 OK 100 100 100 100 3.0-4.2 5.0=100 H ALA 52 + QD2 LEU 48 OK 76 78 100 97 4.1-5.3 9227=67, 4.6/10961=60...(7) H LEU 48 + QD1 LEU 48 OK 66 66 100 100 3.4-3.9 4.8=100 H ALA 52 - QD1 LEU 48 far 0 45 0 - 5.9-6.6 H CYS 125 - QD2 LEU 98 far 0 73 0 - 8.3-9.9 H SER 130 - QD1 LEU 48 far 0 58 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 1521 from aliabs.peaks (4.10, 0.90, 23.93 ppm; 3.61 A): 5 out of 8 assignments used, quality = 1.00: * HA LEU 48 + QD2 LEU 48 OK 100 100 100 100 1.9-2.6 3.8=85, 1615/10961=34...(22) HA LEU 98 + QD2 LEU 98 OK 73 73 100 99 2.0-4.1 4.0=75, 3153/2.1=38...(20) HA LEU 48 + QD1 LEU 48 OK 65 66 100 99 3.8-3.8 4.0=71, ~6586=30...(22) HA CYS 45 + QD1 LEU 48 OK 54 57 100 96 1.9-2.8 1438/3.1=39...(14) HA CYS 45 + QD2 LEU 48 OK 36 93 40 95 3.7-4.9 1438/3.1=39...(13) HA LEU 49 - QD2 LEU 48 far 0 99 0 - 4.8-5.6 HA LEU 49 - QD1 LEU 48 far 0 64 0 - 5.4-5.7 HA GLN 101 - QD2 LEU 98 far 0 73 0 - 6.5-8.8 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 8 assignments used, quality = 1.00: * HB2 LEU 48 + QD2 LEU 48 OK 100 100 100 100 2.0-2.4 3.1=100 HB3 LEU 98 + QD2 LEU 98 OK 75 75 100 100 2.3-3.1 3.1=100 HB2 LEU 48 + QD1 LEU 48 OK 66 66 100 100 2.2-2.6 3.1=100 HG LEU 100 - QD2 LEU 98 far 0 73 0 - 6.8-8.8 HB3 LEU 122 - QD2 LEU 98 far 0 69 0 - 7.1-10.5 HB3 LEU 103 - QD2 LEU 98 far 0 65 0 - 8.6-10.2 HB3 LEU 122 - QD2 LEU 48 far 0 97 0 - 9.7-12.1 HB3 LEU 122 - QD1 LEU 48 far 0 60 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 1523 from aliabs.peaks (1.89, 0.90, 23.93 ppm; 3.81 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LEU 48 + QD2 LEU 48 OK 100 100 100 100 3.1-3.2 3.1=100 HB3 LEU 48 + QD1 LEU 48 OK 66 66 100 100 2.1-2.4 3.1=100 HB3 LEU 49 - QD2 LEU 48 far 0 81 0 - 6.7-7.3 HB3 LEU 49 - QD1 LEU 48 far 0 46 0 - 6.8-7.1 HB2 MET 11 - QD2 LEU 98 far 0 48 0 - 8.6-32.7 HB2 ARG 90 - QD2 LEU 98 far 0 57 0 - 9.0-10.4 HB3 LEU 123 - QD2 LEU 48 far 0 93 0 - 9.2-10.5 HB2 GLU 40 - QD1 LEU 48 far 0 65 0 - 9.3-11.2 HB3 LEU 123 - QD1 LEU 48 far 0 57 0 - 9.6-11.0 HB2 GLU 40 - QD2 LEU 48 far 0 100 0 - 9.7-12.8 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 9 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 - 7.6-10.6 HB3 LEU 70 - QD2 LEU 98 far 0 75 0 - 7.9-10.7 HB2 LEU 43 - QD2 LEU 48 far 0 97 0 - 7.9-10.3 HB2 LEU 43 - QD1 LEU 48 far 0 61 0 - 8.1-9.0 HG3 ARG 90 - QD2 LEU 98 far 0 48 0 - 8.6-11.2 HB3 LEU 70 - QD1 LEU 48 far 0 66 0 - 9.5-10.4 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 11 assignments used, quality = 1.00: * H LEU 49 + QD2 LEU 48 OK 100 100 100 100 4.2-4.5 6600/2.1=77, 6598/3.1=76...(29) H SER 99 + QD2 LEU 98 OK 71 71 100 100 3.9-4.7 3166/3.1=70, 7375/4.8=57...(17) H LEU 49 + QD1 LEU 48 OK 66 66 100 100 4.0-4.3 6600/2.1=77, 6598/3.1=76...(30) H LEU 96 + QD2 LEU 98 OK 20 46 50 88 4.8-5.8 3.6/11373=56...(8) H LEU 69 - QD1 LEU 48 far 0 66 0 - 5.8-6.6 H LEU 43 - QD1 LEU 48 far 0 58 0 - 8.0-8.9 H LEU 69 - QD2 LEU 48 far 0 100 0 - 8.0-8.6 H TYR 72 - QD1 LEU 48 far 0 46 0 - 8.3-9.3 H LEU 43 - QD2 LEU 48 far 0 95 0 - 8.7-10.6 H VAL 126 - QD2 LEU 98 far 0 54 0 - 8.9-10.3 H ALA 21 - QD2 LEU 98 far 0 68 0 - 10.0-33.4 Violated in 0 structures by 0.00 A. Peak 1528 from aliabs.peaks (8.05, 0.91, 24.15 ppm; 3.84 A): 2 out of 9 assignments used, quality = 1.00: * H LEU 48 + QD1 LEU 48 OK 100 100 100 100 3.4-3.9 6586/2.1=75, 6585/3.1=66...(25) H LEU 48 + QD2 LEU 48 OK 66 66 100 100 3.0-4.2 6586/2.1=75, 6585/3.1=66...(21) H ALA 52 - QD2 LEU 48 poor 13 45 30 - 4.1-5.3 H CYS 125 - QD1 LEU 123 far 3 50 5 - 4.4-4.7 H ALA 52 - QD1 LEU 123 far 0 34 0 - 5.8-6.4 H ALA 52 - QD1 LEU 48 far 0 78 0 - 5.9-6.6 H SER 130 - QD1 LEU 123 far 0 45 0 - 6.8-7.4 H LEU 48 - QD1 LEU 123 far 0 52 0 - 7.4-8.0 H SER 130 - QD1 LEU 48 far 0 95 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 1529 from aliabs.peaks (4.10, 0.91, 24.15 ppm; 2.77 A): 2 out of 10 assignments used, quality = 0.90: HA CYS 45 + QD1 LEU 48 OK 74 93 100 79 1.9-2.8 1438/3.1=21, 9164=18...(13) HA LEU 48 + QD2 LEU 48 OK 61 66 100 92 1.9-2.6 3.8=39, 1615/10961=16...(21) HA CYS 45 - QD2 LEU 48 far 0 57 0 - 3.7-4.9 ! HA LEU 48 - QD1 LEU 48 far 0 100 0 - 3.8-3.8 HA LEU 49 - QD2 LEU 48 far 0 64 0 - 4.8-5.6 HA LEU 49 - QD1 LEU 123 far 0 50 0 - 5.1-6.0 HA LEU 49 - QD1 LEU 48 far 0 99 0 - 5.4-5.7 HA LEU 48 - QD1 LEU 123 far 0 52 0 - 7.5-8.0 HA3 GLY 114 - QD1 LEU 123 far 0 33 0 - 8.6-10.9 HA CYS 45 - QD1 LEU 123 far 0 44 0 - 9.5-10.1 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 7 assignments used, quality = 1.00: * HB2 LEU 48 + QD1 LEU 48 OK 100 100 100 100 2.2-2.6 3.1=100 HB2 LEU 48 + QD2 LEU 48 OK 66 66 100 100 2.0-2.4 3.1=97, 3.0/1529=24...(21) HB3 LEU 122 - QD1 LEU 123 far 0 47 0 - 5.4-6.9 HB2 LEU 48 - QD1 LEU 123 far 0 52 0 - 7.8-8.6 HG LEU 100 - QD1 LEU 123 far 0 51 0 - 8.3-9.9 HB3 LEU 122 - QD2 LEU 48 far 0 60 0 - 9.7-12.1 HB3 LEU 122 - QD1 LEU 48 far 0 97 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 1531 from aliabs.peaks (1.89, 0.91, 24.15 ppm; 2.99 A): 3 out of 12 assignments used, quality = 1.00: * HB3 LEU 48 + QD1 LEU 48 OK 99 100 100 99 2.1-2.4 3.1=91, 6585/1528=22...(22) HB3 LEU 48 + QD2 LEU 48 OK 64 66 100 97 3.1-3.2 3.1=88, 1.8/1530=26...(19) HB3 LEU 123 + QD1 LEU 123 OK 43 44 100 97 2.4-2.7 3.2=83, 3947/2.1=49...(9) HB3 LEU 49 - QD1 LEU 123 far 0 36 0 - 3.8-4.9 HB3 LEU 49 - QD2 LEU 48 far 0 46 0 - 6.7-7.3 HB3 LEU 49 - QD1 LEU 48 far 0 81 0 - 6.8-7.1 HB3 LEU 119 - QD1 LEU 123 far 0 36 0 - 7.1-8.0 HB3 LEU 48 - QD1 LEU 123 far 0 52 0 - 7.8-8.5 HB3 LEU 123 - QD2 LEU 48 far 0 57 0 - 9.2-10.5 HB2 GLU 40 - QD1 LEU 48 far 0 100 0 - 9.3-11.2 HB3 LEU 123 - QD1 LEU 48 far 0 93 0 - 9.6-11.0 HB2 GLU 40 - QD2 LEU 48 far 0 65 0 - 9.7-12.8 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 6 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 HB2 LEU 43 - QD2 LEU 48 far 0 61 0 - 7.9-10.3 HB2 LEU 43 - QD1 LEU 48 far 0 97 0 - 8.1-9.0 HG LEU 48 - QD1 LEU 123 far 0 52 0 - 9.1-9.8 HB3 LEU 70 - QD1 LEU 48 far 0 100 0 - 9.5-10.4 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; 4.30 A increased from 4.05 A): 3 out of 13 assignments used, quality = 1.00: * H LEU 49 + QD1 LEU 48 OK 100 100 100 100 4.0-4.3 6598/3.1=63, 6600/2.1=62...(29) H LEU 49 + QD2 LEU 48 OK 66 66 100 100 4.2-4.5 6598/3.1=63, 6600/2.1=62...(29) H VAL 126 + QD1 LEU 123 OK 22 36 100 62 4.4-4.8 3916/4.0=35...(7) H LEU 69 - QD1 LEU 48 far 0 100 0 - 5.8-6.6 H LEU 49 - QD1 LEU 123 far 0 52 0 - 5.9-6.6 H ASP 131 - QD1 LEU 123 far 0 26 0 - 7.6-8.2 H LEU 43 - QD1 LEU 48 far 0 95 0 - 8.0-8.9 H LEU 69 - QD2 LEU 48 far 0 66 0 - 8.0-8.6 H TYR 72 - QD1 LEU 48 far 0 81 0 - 8.3-9.3 H LEU 43 - QD2 LEU 48 far 0 58 0 - 8.7-10.6 H LEU 96 - QD1 LEU 123 far 0 30 0 - 9.1-9.7 H SER 99 - QD1 LEU 123 far 0 49 0 - 9.9-11.1 H LEU 69 - QD1 LEU 123 far 0 52 0 - 9.9-10.7 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 7 assignments used, quality = 1.00: * H LEU 49 + HA LEU 49 OK 100 100 100 100 2.7-2.7 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 3.6-3.6 3.6=100 H LEU 96 - HA LEU 98 far 0 54 0 - 6.8-7.0 H VAL 126 - HA LEU 49 far 0 81 0 - 7.6-8.2 H LEU 69 - HA LEU 49 far 0 100 0 - 7.7-8.5 H LEU 69 - HA LEU 48 far 0 57 0 - 9.4-9.9 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 3.0-3.0 3.0=100 QB ALA 52 + HA LEU 49 OK 81 89 100 92 2.4-3.2 1631=45, 9247/2.9=38...(11) QB ALA 52 + HA LEU 48 OK 24 45 70 77 4.1-5.0 9247/3.6=34, 2.9/6644=21...(10) HB2 LEU 53 - HA LEU 49 far 0 71 0 - 5.6-7.1 HB2 LEU 49 - HA LEU 48 far 0 57 0 - 5.6-5.9 HG LEU 69 - HA LEU 49 far 0 85 0 - 6.7-7.4 HB2 LEU 53 - HA LEU 48 far 0 34 0 - 8.3-10.1 HG LEU 69 - HA LEU 48 far 0 42 0 - 8.5-8.7 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 8 assignments used, quality = 1.00: * HB3 LEU 49 + HA LEU 49 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 LEU 48 + HA LEU 49 OK 80 81 100 99 4.2-4.8 ~6598=42, 6605/2.9=28...(27) HG LEU 53 + HA LEU 49 OK 43 81 55 97 2.7-6.1 2.1/1541=39, ~1552=19...(21) HB3 LEU 48 + HA LEU 48 OK 40 40 100 100 2.9-3.0 3.0=100 HB3 LEU 49 - HA LEU 48 far 0 57 0 - 6.5-6.6 HG LEU 53 - HA LEU 48 far 0 40 0 - 7.0-9.9 HB3 LYS 95 - HA LEU 98 far 0 54 0 - 7.2-7.7 HB2 LYS 95 - HA LEU 98 far 0 60 0 - 7.9-8.2 Violated in 0 structures by 0.00 A. Peak 1540 from aliabs.peaks (1.57, 4.11, 57.64 ppm; 4.18 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 49 + HA LEU 49 OK 100 100 100 100 2.2-2.6 3.7=100 HG LEU 49 - HA LEU 48 far 0 57 0 - 5.8-6.3 HB2 LEU 119 - HA LEU 49 far 0 65 0 - 7.7-8.3 HB2 LEU 103 - HA LEU 98 far 0 84 0 - 7.9-9.3 HG LEU 123 - HA LEU 49 far 0 99 0 - 8.1-8.9 HG LEU 103 - HA LEU 49 far 0 95 0 - 9.9-11.0 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 19 assignments used, quality = 1.00: * QD2 LEU 49 + HA LEU 49 OK 100 100 100 100 3.3-3.6 1573=92, 2.1/1581=56...(15) QD1 LEU 53 + HA LEU 49 OK 92 100 100 92 2.6-3.3 9218/4.8=32, 1674/3.0=27...(16) QD1 LEU 122 - HA LEU 49 far 0 98 0 - 4.5-7.7 QD1 LEU 122 - HA LEU 98 far 0 81 0 - 5.5-8.9 QD2 LEU 122 - HA LEU 98 far 0 79 0 - 5.5-7.2 QD1 LEU 70 - HA LEU 98 far 0 73 0 - 5.9-6.3 QD2 LEU 122 - HA LEU 49 far 0 97 0 - 6.2-7.8 QD1 LEU 53 - HA LEU 48 far 0 57 0 - 6.2-6.8 QD1 LEU 96 - HA LEU 49 far 0 73 0 - 6.3-7.0 QD2 LEU 49 - HA LEU 48 far 0 57 0 - 6.7-7.0 QD1 LEU 96 - HA LEU 98 far 0 56 0 - 6.8-7.6 QD2 LEU 119 - HA LEU 49 far 0 99 0 - 7.1-7.7 QD1 LEU 103 - HA LEU 49 far 0 90 0 - 8.2-9.2 QD1 LEU 122 - HA LEU 48 far 0 54 0 - 8.2-11.4 QG1 VAL 63 - HA LEU 98 far 0 73 0 - 8.2-9.2 QG1 VAL 63 - HA LEU 49 far 0 92 0 - 8.5-9.0 QD1 LEU 103 - HA LEU 98 far 0 72 0 - 8.8-10.1 QD1 LEU 96 - HA LEU 48 far 0 35 0 - 9.3-9.6 QD2 LEU 49 - HA LEU 98 far 0 85 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 1542 from aliabs.peaks (0.91, 4.11, 57.64 ppm; 3.42 A): 3 out of 17 assignments used, quality = 1.00: * QD1 LEU 49 + HA LEU 49 OK 98 100 100 98 3.4-3.5 1581=69, 2.1/1573=56...(14) QD1 LEU 48 + HA LEU 48 OK 57 57 100 99 3.8-3.8 4.0=61, 2.1/3193=48...(22) QD2 LEU 48 + HA LEU 48 OK 45 45 100 99 1.9-2.6 3.8=72, ~6586=27...(22) QD1 LEU 49 - HA LEU 48 far 0 57 0 - 4.7-5.4 QD1 LEU 62 - HA LEU 49 far 0 100 0 - 4.7-5.5 QD2 LEU 48 - HA LEU 49 far 0 89 0 - 4.8-5.6 QD1 LEU 123 - HA LEU 49 far 0 95 0 - 5.1-6.0 QD1 LEU 48 - HA LEU 49 far 0 100 0 - 5.4-5.7 QG1 VAL 118 - HA LEU 98 far 0 66 0 - 6.2-7.0 QG1 VAL 57 - HA LEU 49 far 0 57 0 - 6.2-7.2 QG1 VAL 57 - HA LEU 48 far 0 26 0 - 7.3-8.1 QD1 LEU 123 - HA LEU 48 far 0 50 0 - 7.5-8.0 QG2 VAL 63 - HA LEU 49 far 0 100 0 - 7.8-8.3 QD1 LEU 62 - HA LEU 48 far 0 57 0 - 8.5-9.1 QG1 VAL 118 - HA LEU 49 far 0 85 0 - 8.6-9.4 QG2 VAL 63 - HA LEU 98 far 0 85 0 - 9.0-9.8 QD1 LEU 119 - HA LEU 49 far 0 68 0 - 9.2-9.7 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 6 assignments used, quality = 1.00: * H ALA 52 + HA LEU 49 OK 100 100 100 100 3.2-3.6 6645/3.6=91, ~6610=74...(24) H LEU 48 + HA LEU 49 OK 78 78 100 100 5.5-5.7 6596/2.9=78, 6590/3.6=65...(11) H ALA 52 + HA LEU 48 OK 57 57 100 100 3.7-4.4 9227/3.8=98...(12) H LEU 48 + HA LEU 48 OK 38 38 100 100 2.7-2.8 2.9=100 H CYS 125 - HA LEU 49 far 0 92 0 - 9.0-9.8 H VAL 57 - HA LEU 49 far 0 85 0 - 9.4-10.1 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 94 100 100 94 2.4-3.2 1631=55, 9247/2.9=46...(11) HB2 LEU 49 + HA LEU 49 OK 89 89 100 100 3.0-3.0 3.0=100 QB ALA 52 + HA LEU 48 OK 30 57 65 81 4.1-5.0 9247/3.6=41, 1631/4.9=22...(10) HB2 LEU 49 - HA LEU 48 far 0 45 0 - 5.6-5.9 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 3 assignments used, quality = 1.00: * HA ALA 46 + HB2 LEU 49 OK 99 100 100 99 3.5-4.4 1455/6604=62, 10899=46...(12) HB3 SER 50 + HB2 LEU 49 OK 93 95 100 98 4.0-5.5 3.9/6618=72, 11338=70...(10) HA LEU 70 - HB2 LEU 49 far 0 97 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 1547 from aliabs.peaks (8.30, 1.50, 41.17 ppm; 4.66 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.3-2.7 3.9=100 H VAL 126 - HB2 LEU 49 poor 16 81 20 - 5.2-5.7 H LEU 69 - HB2 LEU 49 far 0 100 0 - 6.6-7.5 H ASP 131 - HB2 LEU 49 far 0 63 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 1548 from aliabs.peaks (4.11, 1.50, 41.17 ppm; 4.49 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 49 + HB2 LEU 49 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 48 - HB2 LEU 49 far 0 99 0 - 5.6-5.9 HA CYS 45 - HB2 LEU 49 far 0 99 0 - 6.1-7.1 HA ALA 52 - HB2 LEU 49 far 0 73 0 - 7.8-8.3 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 3 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 80 81 100 99 4.4-5.1 4.6/6604=56, 3.9/9198=44...(26) HG LEU 53 + HB2 LEU 49 OK 47 81 60 98 4.6-6.7 2.1/1552=44, ~1674=31...(17) Violated in 0 structures by 0.00 A. Peak 1551 from aliabs.peaks (1.57, 1.50, 41.17 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.9-3.0 3.0=100 HG LEU 123 - HB2 LEU 49 far 0 99 0 - 6.9-8.2 HB2 LEU 119 - HB2 LEU 49 far 0 65 0 - 8.7-10.0 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 9 assignments used, quality = 1.00: * QD2 LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.7-2.9 3.2=100 QD1 LEU 53 + HB2 LEU 49 OK 94 100 100 95 2.9-4.1 1674/1.8=37, 1541/3.0=29...(23) QD1 LEU 122 - HB2 LEU 49 far 5 98 5 - 3.8-6.9 QD1 LEU 96 - HB2 LEU 49 far 0 73 0 - 4.9-5.4 QD2 LEU 122 - HB2 LEU 49 far 0 97 0 - 6.0-7.2 QG2 ILE 129 - HB2 LEU 49 far 0 65 0 - 7.7-8.5 QD2 LEU 119 - HB2 LEU 49 far 0 99 0 - 8.4-9.4 QG1 VAL 63 - HB2 LEU 49 far 0 92 0 - 9.3-9.6 QD1 LEU 103 - HB2 LEU 49 far 0 90 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 1553 from aliabs.peaks (0.91, 1.50, 41.17 ppm; 4.07 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.0-2.2 3.2=100 QD1 LEU 123 - HB2 LEU 49 poor 13 95 25 56 3.9-5.2 11339/11338=26...(8) QD1 LEU 48 - HB2 LEU 49 far 0 100 0 - 6.0-6.3 QD1 LEU 62 - HB2 LEU 49 far 0 100 0 - 6.1-7.3 QD2 LEU 48 - HB2 LEU 49 far 0 89 0 - 6.2-6.6 QG1 VAL 118 - HB2 LEU 49 far 0 85 0 - 8.6-9.3 QG1 VAL 57 - HB2 LEU 49 far 0 57 0 - 8.7-9.7 QG2 VAL 63 - HB2 LEU 49 far 0 100 0 - 9.1-9.4 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 2 assignments used, quality = 1.00: * HA ALA 46 + HB3 LEU 49 OK 100 100 100 100 5.1-5.9 1455/3.9=71, 1457=53...(11) HB3 SER 50 + HB3 LEU 49 OK 89 95 95 99 5.0-6.4 11338/1.8=86...(8) Violated in 0 structures by 0.00 A. Peak 1556 from aliabs.peaks (8.30, 1.91, 41.17 ppm; 4.72 A): 2 out of 4 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 49 OK 21 81 35 73 5.1-5.9 4.0/11679=34...(7) H LEU 69 - HB3 LEU 49 far 0 100 0 - 7.4-7.9 H LEU 96 - HB3 LEU 49 far 0 71 0 - 9.8-10.6 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 2.4-2.6 3.0=100 HA LEU 48 - HB3 LEU 49 far 0 99 0 - 6.5-6.6 HA ALA 52 - HB3 LEU 49 far 0 73 0 - 7.1-7.8 HA CYS 45 - HB3 LEU 49 far 0 99 0 - 7.7-8.4 Violated in 0 structures by 0.00 A. Peak 1558 from aliabs.peaks (1.50, 1.91, 41.17 ppm; 4.78 A): 2 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 84 89 100 95 4.1-5.3 9247/3.9=46, 1631/3.0=39...(15) HG LEU 69 - HB3 LEU 49 poor 17 85 20 - 5.2-6.1 HB2 LEU 53 - HB3 LEU 49 far 7 71 10 - 5.2-6.9 HG LEU 42 - HB3 LEU 49 far 0 97 0 - 9.9-11.0 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): 1 out of 5 assignments used, quality = 1.00: * HG LEU 49 + HB3 LEU 49 OK 100 100 100 100 2.7-2.8 3.0=100 HG LEU 123 - HB3 LEU 49 far 0 99 0 - 6.5-7.3 HB2 LEU 119 - HB3 LEU 49 far 0 65 0 - 7.0-8.3 HB2 LEU 103 - HB3 LEU 49 far 0 100 0 - 9.4-10.3 HG LEU 103 - HB3 LEU 49 far 0 95 0 - 9.8-11.1 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 9 assignments used, quality = 1.00: * QD2 LEU 49 + HB3 LEU 49 OK 100 100 100 100 1.9-2.0 3.2=100 QD1 LEU 53 + HB3 LEU 49 OK 96 100 100 96 1.7-2.9 1552/1.8=38, 1674=31...(22) QD1 LEU 122 + HB3 LEU 49 OK 26 98 80 33 2.8-6.0 11681/11679=9, ~3872=4...(13) QD1 LEU 96 - HB3 LEU 49 far 0 73 0 - 4.7-5.4 QD2 LEU 122 - HB3 LEU 49 far 0 97 0 - 4.8-6.1 QD2 LEU 119 - HB3 LEU 49 far 0 99 0 - 6.9-8.1 QD1 LEU 103 - HB3 LEU 49 far 0 90 0 - 8.0-8.7 QG2 ILE 129 - HB3 LEU 49 far 0 65 0 - 8.4-9.5 QG1 VAL 63 - HB3 LEU 49 far 0 92 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 1562 from aliabs.peaks (0.91, 1.91, 41.17 ppm; 3.78 A): 1 out of 9 assignments used, quality = 1.00: * QD1 LEU 49 + HB3 LEU 49 OK 100 100 100 100 3.0-3.1 3.2=100 QD1 LEU 123 - HB3 LEU 49 poor 11 95 25 48 3.8-4.9 1553/1.8=19...(6) QD1 LEU 62 - HB3 LEU 49 far 0 100 0 - 4.6-6.0 QD2 LEU 48 - HB3 LEU 49 far 0 89 0 - 6.7-7.3 QD1 LEU 48 - HB3 LEU 49 far 0 100 0 - 6.8-7.1 QG1 VAL 118 - HB3 LEU 49 far 0 85 0 - 7.4-8.0 QG2 VAL 63 - HB3 LEU 49 far 0 100 0 - 7.9-8.5 QG1 VAL 57 - HB3 LEU 49 far 0 57 0 - 8.0-9.2 QD1 LEU 119 - HB3 LEU 49 far 0 68 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 1564 from aliabs.peaks (8.30, 1.57, 26.87 ppm; 4.65 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 49 + HG LEU 49 OK 100 100 100 100 2.5-3.2 6606=100, 6604/3.0=79...(34) H ALA 21 - HG2 ARG 23 far 4 83 5 - 5.0-7.8 H LEU 69 - HG LEU 49 far 0 100 0 - 5.6-6.0 H VAL 126 - HG LEU 123 far 0 76 0 - 5.8-6.5 H ALA 110 - HG LEU 103 far 0 71 0 - 6.3-11.1 H VAL 126 - HG LEU 49 far 0 81 0 - 7.0-7.5 H SER 99 - HG LEU 103 far 0 79 0 - 9.0-9.8 H LEU 49 - HG LEU 123 far 0 98 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 1565 from aliabs.peaks (4.11, 1.57, 26.87 ppm; 4.32 A): 2 out of 12 assignments used, quality = 1.00: * HA LEU 49 + HG LEU 49 OK 100 100 100 100 2.2-2.6 3.7=100 HA GLN 104 + HG LEU 103 OK 64 64 100 99 3.1-3.7 ~7491=40, ~11717=36...(18) HA ILE 32 - HG2 ARG 23 far 5 91 5 - 3.7-15.9 HA LEU 48 - HG LEU 49 far 0 99 0 - 5.8-6.3 HA CYS 45 - HG LEU 49 far 0 99 0 - 6.2-7.2 HA GLN 101 - HG LEU 103 far 0 83 0 - 6.9-7.5 HA ALA 52 - HG LEU 49 far 0 73 0 - 7.4-7.8 HA CYS 79 - HG2 ARG 23 far 0 90 0 - 7.7-22.9 HA LEU 49 - HG LEU 123 far 0 98 0 - 8.1-8.9 HA3 GLY 114 - HG LEU 123 far 0 86 0 - 9.0-11.3 HA3 GLY 114 - HG LEU 103 far 0 70 0 - 9.5-13.3 HA LEU 49 - HG LEU 103 far 0 83 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 1566 from aliabs.peaks (1.50, 1.57, 26.87 ppm; 4.74 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LEU 49 + HG LEU 49 OK 100 100 100 100 2.9-3.0 3.0=100 QB ALA 52 + HG LEU 49 OK 80 89 100 90 4.2-4.7 9247/6606=37...(10) HB2 LEU 53 + HG LEU 123 OK 63 67 100 95 4.2-5.1 ~11422=55, ~11639=53...(12) HG LEU 69 + HG LEU 49 OK 29 85 35 98 5.1-5.6 1574/2.1=43, 1582/2.1=41...(18) HB2 LEU 49 - HG LEU 123 far 0 98 0 - 6.9-8.2 HB2 LEU 53 - HG LEU 49 far 0 71 0 - 7.0-8.9 QB ALA 52 - HG LEU 123 far 0 84 0 - 7.7-8.9 QB ALA 52 - HG LEU 103 far 0 68 0 - 8.4-9.4 HG LEU 42 - HG LEU 49 far 0 97 0 - 9.7-10.4 HB2 LEU 53 - HG LEU 103 far 0 52 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 1567 from aliabs.peaks (1.91, 1.57, 26.87 ppm; 4.08 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LEU 49 + HG LEU 49 OK 100 100 100 100 2.7-2.8 3.0=100 HB3 LEU 48 + HG LEU 49 OK 57 81 75 94 3.9-5.0 4.6/6606=38, 1583/2.1=33...(15) HG LEU 53 + HG LEU 123 OK 28 76 40 91 3.6-6.9 ~11422=54, ~11639=52...(9) HG LEU 53 - HG LEU 49 poor 16 81 20 - 4.2-7.6 HB3 LEU 49 - HG LEU 123 far 0 98 0 - 6.5-7.3 HB2 GLU 30 - HG2 ARG 23 far 0 61 0 - 8.4-18.5 HG LEU 53 - HG LEU 103 far 0 60 0 - 9.0-10.8 HB3 LEU 49 - HG LEU 103 far 0 83 0 - 9.8-11.1 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): 2 out of 28 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 far 0 71 0 - 3.6-4.9 QD1 LEU 53 - HG LEU 49 far 0 100 0 - 3.7-4.6 QD1 LEU 53 - HG LEU 123 far 0 97 0 - 3.7-5.4 QD1 LEU 122 - HG LEU 49 far 0 98 0 - 4.0-6.7 QD1 LEU 122 - HG LEU 103 far 0 79 0 - 4.2-7.3 QD2 LEU 119 - HG LEU 103 far 0 80 0 - 4.3-5.4 QD2 LEU 122 - HG LEU 103 far 0 77 0 - 4.4-6.9 QD1 LEU 96 - HG LEU 49 far 0 73 0 - 4.8-5.4 QD1 LEU 122 - HG LEU 123 far 0 95 0 - 5.2-8.4 QD2 LEU 122 - HG LEU 49 far 0 97 0 - 5.4-6.9 QD1 ILE 32 - HG2 ARG 23 far 0 49 0 - 6.4-13.7 QD2 LEU 49 - HG LEU 123 far 0 98 0 - 6.7-7.5 QD2 LEU 49 - HG LEU 103 far 0 83 0 - 6.8-7.9 QD2 LEU 122 - HG LEU 123 far 0 93 0 - 7.1-8.0 QG1 VAL 63 - HG LEU 49 far 0 92 0 - 7.1-7.7 QD1 ILE 37 - HG2 ARG 23 far 0 49 0 - 7.2-19.1 QD1 LEU 70 - HG2 ARG 23 far 0 79 0 - 7.4-23.3 QD1 LEU 53 - HG LEU 103 far 0 82 0 - 7.5-9.3 QD1 LEU 96 - HG LEU 103 far 0 54 0 - 7.7-8.9 QD2 LEU 119 - HG LEU 49 far 0 99 0 - 7.7-8.5 QD1 LEU 96 - HG LEU 123 far 0 69 0 - 7.8-8.8 QD1 LEU 103 - HG LEU 49 far 0 90 0 - 8.0-9.0 QD2 LEU 119 - HG LEU 123 far 0 96 0 - 8.2-8.9 QG2 ILE 129 - HG LEU 49 far 0 65 0 - 9.0-9.8 QD1 LEU 70 - HG LEU 49 far 0 92 0 - 9.6-10.0 QD1 LEU 103 - HG LEU 123 far 0 86 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 1570 from aliabs.peaks (0.91, 1.57, 26.87 ppm; 3.29 A): 4 out of 25 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 QG2 VAL 63 + HG LEU 103 OK 80 83 100 96 1.8-2.7 1584=31, 11822/2.1=30...(30) QG1 VAL 118 + HG LEU 103 OK 38 64 60 100 3.7-4.3 ~11611=34, ~10265=33...(24) QG2 VAL 20 - HG2 ARG 23 poor 20 71 50 56 2.5-5.1 10688/3.8=17, ~11960=9...(10) QD1 LEU 22 - HG2 ARG 23 far 3 58 5 - 3.6-7.6 QD1 LEU 62 - HG LEU 103 far 0 83 0 - 4.9-5.5 QD1 LEU 48 - HG LEU 49 far 0 100 0 - 4.9-5.7 QG1 VAL 20 - HG2 ARG 23 far 0 90 0 - 5.1-7.3 QD2 LEU 48 - HG LEU 49 far 0 89 0 - 5.4-6.3 QD1 LEU 62 - HG LEU 49 far 0 100 0 - 5.5-6.1 QD1 LEU 119 - HG LEU 103 far 0 50 0 - 5.7-6.8 QD1 LEU 123 - HG LEU 49 far 0 95 0 - 6.1-7.0 QD1 LEU 62 - HG LEU 123 far 0 98 0 - 6.7-7.8 QG2 VAL 63 - HG LEU 49 far 0 100 0 - 7.0-7.6 QG1 VAL 57 - HG LEU 49 far 0 57 0 - 7.5-8.5 QD1 LEU 49 - HG LEU 123 far 0 98 0 - 7.9-8.8 QG2 VAL 112 - HG LEU 103 far 0 77 0 - 7.9-9.6 QG1 VAL 118 - HG LEU 49 far 0 85 0 - 8.1-8.9 QD1 LEU 119 - HG LEU 123 far 0 64 0 - 8.3-9.0 QG1 VAL 118 - HG LEU 123 far 0 80 0 - 8.4-9.3 QD1 LEU 49 - HG LEU 103 far 0 83 0 - 9.0-10.3 QG1 VAL 57 - HG LEU 103 far 0 41 0 - 9.3-10.3 QG2 ILE 37 - HG2 ARG 23 far 0 65 0 - 9.9-21.3 QD1 LEU 119 - HG LEU 49 far 0 68 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 1572 from aliabs.peaks (8.30, 0.80, 26.84 ppm; 4.37 A increased from 4.11 A): 3 out of 10 assignments used, quality = 1.00: * H LEU 49 + QD2 LEU 49 OK 100 100 100 100 3.8-4.2 2.9/1573=73, 6606/2.1=71...(30) H LEU 69 + QD2 LEU 49 OK 97 100 100 97 4.4-4.8 3.6/11820=33...(17) H VAL 126 + QD2 LEU 49 OK 76 81 100 94 4.1-4.6 4.0/11681=53...(12) H LEU 96 - QD2 LEU 49 far 0 71 0 - 7.0-7.5 H SER 99 - QD2 LEU 49 far 0 98 0 - 7.4-7.7 H TYR 72 - QD2 LEU 49 far 0 81 0 - 8.1-8.6 H LEU 43 - HG13 ILE 80 far 0 54 0 - 8.4-9.2 H GLU 40 - HG13 ILE 80 far 0 54 0 - 9.1-9.9 H ASP 131 - QD2 LEU 49 far 0 63 0 - 9.8-10.2 H ASP 131 - HG13 ILE 80 far 0 31 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 1573 from aliabs.peaks (4.11, 0.80, 26.84 ppm; 3.68 A): 2 out of 11 assignments used, quality = 1.00: * HA LEU 49 + QD2 LEU 49 OK 99 100 100 99 3.3-3.6 3.9=83, 1581/2.1=55...(15) HA ILE 80 + HG13 ILE 80 OK 48 49 100 99 1.9-2.3 4.1=75, 2472/2.1=53...(18) HA CYS 79 - HG13 ILE 80 far 0 61 0 - 6.2-6.6 HA CYS 45 - QD2 LEU 49 far 0 99 0 - 6.4-7.3 HA LEU 48 - QD2 LEU 49 far 0 99 0 - 6.7-7.0 HA PHE 89 - HG13 ILE 80 far 0 41 0 - 6.9-7.2 HA ALA 52 - QD2 LEU 49 far 0 73 0 - 7.5-7.8 HA GLN 104 - QD2 LEU 49 far 0 85 0 - 8.7-9.6 HA GLN 101 - QD2 LEU 49 far 0 100 0 - 9.1-9.8 HA LEU 98 - QD2 LEU 49 far 0 100 0 - 9.4-10.0 HA3 GLY 114 - QD2 LEU 49 far 0 90 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 1574 from aliabs.peaks (1.50, 0.80, 26.84 ppm; 3.50 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 49 + QD2 LEU 49 OK 100 100 100 100 2.7-2.9 3.2=100 HG LEU 69 + QD2 LEU 49 OK 78 85 100 92 3.2-3.9 1582/2.1=30, 11036=27...(22) HG3 LYS 86 - HG13 ILE 80 far 0 43 0 - 4.5-7.4 QB ALA 52 - QD2 LEU 49 far 0 89 0 - 4.6-5.2 HB2 LEU 53 - QD2 LEU 49 far 0 71 0 - 5.4-7.4 HG LEU 42 - HG13 ILE 80 far 0 57 0 - 7.8-8.8 HG LEU 42 - QD2 LEU 49 far 0 97 0 - 7.8-8.6 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 7 assignments used, quality = 1.00: * HB3 LEU 49 + QD2 LEU 49 OK 100 100 100 100 1.9-2.0 3.2=100 HG LEU 53 + QD2 LEU 49 OK 38 81 55 85 3.6-5.9 1667=20, ~1552=14...(16) HB3 LEU 48 - QD2 LEU 49 far 0 81 0 - 5.0-6.0 HB2 ARG 135 - HG13 ILE 80 far 0 35 0 - 6.2-10.6 HB2 LYS 95 - QD2 LEU 49 far 0 78 0 - 8.4-9.6 HB3 LYS 95 - QD2 LEU 49 far 0 71 0 - 8.6-9.8 HB2 ARG 90 - HG13 ILE 80 far 0 61 0 - 8.6-10.1 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 8 assignments used, quality = 1.00: * HG LEU 49 + QD2 LEU 49 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 103 - QD2 LEU 49 far 0 100 0 - 6.5-7.2 HB2 LEU 119 - QD2 LEU 49 far 0 65 0 - 6.6-7.2 HG LEU 123 - QD2 LEU 49 far 0 99 0 - 6.7-7.5 HG LEU 103 - QD2 LEU 49 far 0 95 0 - 6.8-7.9 HB3 LEU 42 - HG13 ILE 80 far 0 31 0 - 6.9-8.2 HG13 ILE 37 - HG13 ILE 80 far 0 47 0 - 8.4-10.2 HB3 LEU 42 - QD2 LEU 49 far 0 63 0 - 9.9-10.8 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): 1 out of 11 assignments used, quality = 1.00: * QD1 LEU 49 + QD2 LEU 49 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 62 - QD2 LEU 49 far 0 100 0 - 4.3-4.9 QD1 LEU 123 - QD2 LEU 49 far 0 95 0 - 4.5-5.5 QG2 VAL 63 - QD2 LEU 49 far 0 100 0 - 5.4-5.7 QG1 VAL 118 - QD2 LEU 49 far 0 85 0 - 5.4-6.2 QD1 LEU 48 - QD2 LEU 49 far 0 100 0 - 5.5-6.4 QD2 LEU 48 - QD2 LEU 49 far 0 89 0 - 6.2-6.9 QG2 ILE 37 - HG13 ILE 80 far 0 41 0 - 6.3-7.4 QG1 VAL 57 - QD2 LEU 49 far 0 57 0 - 7.5-8.1 QD1 LEU 119 - QD2 LEU 49 far 0 68 0 - 7.8-8.1 QG2 ILE 37 - QD2 LEU 49 far 0 78 0 - 9.6-10.2 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 4.4-4.5 6619/3.2=100...(27) 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 10 assignments used, quality = 0.97: * HA LEU 49 + QD1 LEU 49 OK 96 100 100 96 3.4-3.5 4.1=50, 1573/2.1=50...(14) HA GLN 104 + QG2 VAL 63 OK 42 43 100 98 2.0-2.8 11433/2.1=41...(21) HA CYS 45 - QD1 LEU 49 far 0 99 0 - 3.9-4.6 HA LEU 48 - QD1 LEU 49 far 0 99 0 - 4.7-5.4 HA GLN 101 - QG2 VAL 63 far 0 58 0 - 5.5-6.1 HA ALA 52 - QD1 LEU 49 far 0 73 0 - 7.5-8.1 HA LEU 49 - QG2 VAL 63 far 0 58 0 - 7.8-8.3 HA LEU 98 - QG2 VAL 63 far 0 58 0 - 9.0-9.8 HA3 GLY 114 - QG2 VAL 63 far 0 47 0 - 9.1-12.3 HA ALA 52 - QG2 VAL 63 far 0 36 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 1582 from aliabs.peaks (1.50, 0.91, 23.35 ppm; 3.14 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 49 + QD1 LEU 49 OK 99 100 100 99 2.0-2.2 3.2=95, 3.0/1581=33...(14) HG LEU 69 + QD1 LEU 49 OK 66 85 100 77 2.2-2.7 1574/2.1=25, ~11048=14...(20) QB ALA 52 - QD1 LEU 49 far 0 89 0 - 4.9-5.4 HG LEU 42 - QD1 LEU 49 far 0 97 0 - 6.1-6.7 QB ALA 52 - QG2 VAL 63 far 0 46 0 - 6.7-7.1 HB2 LEU 53 - QD1 LEU 49 far 0 71 0 - 7.3-8.7 HB2 LEU 53 - QG2 VAL 63 far 0 34 0 - 8.8-10.6 HB2 LEU 49 - QG2 VAL 63 far 0 58 0 - 9.1-9.4 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 7 assignments used, quality = 1.00: * HB3 LEU 49 + QD1 LEU 49 OK 100 100 100 100 3.0-3.1 3.2=100 HB3 LEU 48 + QD1 LEU 49 OK 66 81 100 81 2.4-3.6 1567/2.1=16, 1.8/1501=16...(16) HG LEU 53 - QD1 LEU 49 far 0 81 0 - 5.2-7.5 HG LEU 53 - QG2 VAL 63 far 0 40 0 - 7.5-9.5 HB3 LEU 49 - QG2 VAL 63 far 0 58 0 - 7.9-8.5 HB2 LYS 95 - QD1 LEU 49 far 0 78 0 - 9.6-10.7 HB3 LYS 95 - QD1 LEU 49 far 0 71 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 1584 from aliabs.peaks (1.57, 0.91, 23.35 ppm; 3.00 A): 2 out of 10 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 103 + QG2 VAL 63 OK 46 51 100 89 1.8-2.7 2.1/11822=27, 1570=18...(29) HB2 LEU 103 - QG2 VAL 63 far 3 57 5 - 3.5-4.3 HB2 LEU 119 - QG2 VAL 63 far 0 31 0 - 6.7-7.5 HG LEU 49 - QG2 VAL 63 far 0 58 0 - 7.0-7.6 HG LEU 123 - QD1 LEU 49 far 0 99 0 - 7.9-8.8 HB3 LEU 42 - QD1 LEU 49 far 0 63 0 - 8.0-8.7 HB2 LEU 119 - QD1 LEU 49 far 0 65 0 - 8.8-9.3 HB2 LEU 103 - QD1 LEU 49 far 0 100 0 - 8.9-9.8 HG LEU 103 - QD1 LEU 49 far 0 95 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 1585 from aliabs.peaks (0.80, 0.91, 23.35 ppm; 2.55 A): 2 out of 20 assignments used, quality = 1.00: * QD2 LEU 49 + QD1 LEU 49 OK 100 100 100 100 1.9-2.1 2.1=100 QG1 VAL 63 + QG2 VAL 63 OK 49 49 100 100 1.9-2.1 2.1=100 QD1 LEU 103 - QG2 VAL 63 poor 12 47 25 - 2.9-3.7 QD1 LEU 96 - QD1 LEU 49 far 0 73 0 - 3.2-3.8 QD1 LEU 122 - QG2 VAL 63 far 0 55 0 - 3.7-6.1 QD1 LEU 122 - QD1 LEU 49 far 0 98 0 - 3.9-5.5 QD1 LEU 53 - QD1 LEU 49 far 0 100 0 - 4.0-4.9 QD2 LEU 122 - QG2 VAL 63 far 0 53 0 - 4.1-6.3 QD2 LEU 119 - QG2 VAL 63 far 0 56 0 - 4.4-5.3 QD2 LEU 122 - QD1 LEU 49 far 0 97 0 - 5.0-6.1 QD2 LEU 49 - QG2 VAL 63 far 0 58 0 - 5.4-5.7 QG2 ILE 129 - QD1 LEU 49 far 0 65 0 - 6.0-6.7 QD1 LEU 53 - QG2 VAL 63 far 0 58 0 - 6.1-7.6 QD1 LEU 96 - QG2 VAL 63 far 0 36 0 - 6.3-6.9 QG1 VAL 63 - QD1 LEU 49 far 0 92 0 - 6.5-7.4 QD1 LEU 70 - QD1 LEU 49 far 0 92 0 - 6.9-7.7 QD2 LEU 119 - QD1 LEU 49 far 0 99 0 - 8.0-8.5 QD1 LEU 103 - QD1 LEU 49 far 0 90 0 - 8.0-8.8 QD1 LEU 70 - QG2 VAL 63 far 0 49 0 - 8.7-9.2 QD1 ILE 37 - QD1 LEU 49 far 0 60 0 - 9.1-9.7 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): 2 out of 21 assignments used, quality = 1.00: * HB2 SER 50 + HA SER 50 OK 100 100 100 100 2.2-2.8 3.0=100 HA LEU 123 + HA SER 50 OK 51 65 95 82 2.8-4.3 4.0/11874=39...(10) HB2 SER 50 - HB3 SER 51 far 0 71 0 - 5.2-7.4 HA LEU 123 - HB3 SER 124 far 0 33 0 - 5.6-6.1 HA LEU 123 - HB2 SER 124 far 0 49 0 - 6.1-6.6 HB2 SER 50 - HB3 SER 124 far 0 61 0 - 7.4-9.9 HB2 SER 130 - HA SER 50 far 0 100 0 - 7.8-10.2 HA LEU 62 - HA SER 50 far 0 97 0 - 8.1-8.7 HB2 SER 9 - HB2 SER 124 far 0 78 0 - 8.1-51.9 HB2 SER 50 - HB2 SER 124 far 0 85 0 - 8.1-10.3 HA VAL 118 - HB3 SER 124 far 0 45 0 - 8.1-8.8 HB3 SER 9 - HB2 SER 124 far 0 54 0 - 8.1-50.1 HA LEU 123 - HB3 SER 51 far 0 39 0 - 8.2-9.8 HA VAL 118 - HB2 SER 124 far 0 66 0 - 8.4-9.3 HB2 SER 9 - HA VAL 20 far 0 88 0 - 8.6-33.4 HB3 SER 9 - HA VAL 20 far 0 62 0 - 8.6-33.1 HB3 SER 33 - HA VAL 20 far 0 88 0 - 8.7-23.2 HB2 SER 9 - HB3 SER 124 far 0 54 0 - 8.8-53.2 HA LEU 62 - HB3 SER 51 far 0 65 0 - 9.1-9.9 HB3 SER 9 - HB3 SER 124 far 0 36 0 - 9.2-51.5 HB2 SER 130 - HB3 SER 51 far 0 70 0 - 9.4-12.1 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 16 assignments used, quality = 1.00: * HB3 SER 50 + HA SER 50 OK 100 100 100 100 2.2-3.0 3.0=100 HA LEU 123 + HA SER 50 OK 51 63 95 86 2.8-4.3 4.0/11874=45...(11) HB3 SER 50 - HB3 SER 51 poor 18 71 25 - 4.2-7.2 HA LEU 123 - HB3 SER 124 far 0 31 0 - 5.6-6.1 HA LEU 123 - HB2 SER 124 far 0 47 0 - 6.1-6.6 HA3 GLY 2 - HB3 SER 51 far 0 56 0 - 6.3-73.2 HA2 GLY 2 - HB3 SER 51 far 0 57 0 - 6.6-73.3 HB2 SER 33 - HA VAL 20 far 0 55 0 - 7.1-21.9 HA ALA 46 - HA SER 50 far 0 95 0 - 7.2-7.5 HB3 SER 50 - HB3 SER 124 far 0 61 0 - 7.6-10.4 HA3 GLY 2 - HA SER 50 far 0 87 0 - 7.8-70.5 HA ALA 46 - HB3 SER 51 far 0 63 0 - 8.0-9.8 HA2 GLY 2 - HA SER 50 far 0 89 0 - 8.1-70.6 HA LEU 123 - HB3 SER 51 far 0 38 0 - 8.2-9.8 HB3 SER 50 - HB2 SER 124 far 0 85 0 - 8.4-11.0 HA LYS 86 - HA VAL 20 far 0 92 0 - 9.8-33.2 Violated in 0 structures by 0.00 A. Peak 1594 from aliabs.peaks (1.52, 4.00, 62.52 ppm; 6.80 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LEU 53 + HA SER 50 OK 100 100 100 100 3.1-4.7 1.8/1653=100...(11) HB2 LEU 49 + HA SER 50 OK 71 71 100 100 4.0-4.6 ~6619=93, 6618/2.9=71...(16) HB2 LEU 22 + HA VAL 20 OK 66 67 100 99 4.4-6.7 4.0/10724=91...(4) HB2 LEU 49 - HB3 SER 51 poor 8 43 85 21 6.6-8.0 1548/1493=17, 1546/1591=2 HB2 LEU 53 - HB3 SER 51 far 4 71 5 - 6.7-8.7 HB2 LEU 53 - HB3 SER 124 far 3 61 5 - 7.4-8.1 HB2 LEU 119 - HA SER 50 far 0 73 0 - 7.9-8.6 HG LEU 69 - HA SER 50 far 0 99 0 - 8.1-8.6 HB2 LEU 53 - HB2 SER 124 far 0 85 0 - 8.7-9.6 HB2 LEU 119 - HB3 SER 124 far 0 38 0 - 8.8-9.9 HB2 LEU 49 - HB3 SER 124 far 0 36 0 - 9.3-10.5 HB2 LEU 49 - HB2 SER 124 far 0 54 0 - 9.5-10.8 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 18 assignments used, quality = 0.99: HB VAL 20 + HA VAL 20 OK 92 92 100 100 2.4-3.0 3.0=100 * HB3 LEU 53 + HA SER 50 OK 92 100 95 97 2.4-4.7 3.1/9218=55, 1653=51...(11) HB2 GLN 27 - HA VAL 20 far 0 52 0 - 5.8-16.3 HB2 GLU 55 - HB3 SER 51 far 0 71 0 - 6.1-9.0 HB3 LEU 53 - HB3 SER 51 far 0 71 0 - 6.7-8.3 HB3 GLU 30 - HA VAL 20 far 0 80 0 - 7.5-21.4 HB3 LEU 53 - HB3 SER 124 far 0 61 0 - 7.7-8.6 HB3 MET 11 - HA VAL 20 far 0 76 0 - 8.1-24.9 HB2 PRO 81 - HA VAL 20 far 0 26 0 - 8.6-32.5 HB3 PRO 117 - HB3 SER 124 far 0 53 0 - 8.9-9.6 HB3 LEU 53 - HB2 SER 124 far 0 85 0 - 9.0-9.8 HG2 ARG 90 - HA VAL 20 far 0 52 0 - 9.3-32.4 HB ILE 129 - HB2 SER 124 far 0 81 0 - 9.3-10.9 HB3 PRO 117 - HB2 SER 124 far 0 76 0 - 9.3-10.2 HB3 MET 11 - HB2 SER 124 far 0 66 0 - 9.6-49.6 HB ILE 129 - HA SER 50 far 0 98 0 - 9.7-10.4 HG2 PRO 56 - HB3 SER 51 far 0 62 0 - 9.9-12.5 HB2 GLU 55 - HA SER 50 far 0 100 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 1596 from aliabs.peaks (4.34, 3.82, 62.30 ppm; 4.53 A increased from 4.26 A): 2 out of 8 assignments used, quality = 1.00: * HA ASP 47 + HB2 SER 50 OK 100 100 100 100 2.9-4.4 1469=100, 1602/1.8=72...(7) HA ASP 47 + HB2 SER 130 OK 30 98 40 78 4.8-6.4 10901/11718=40, 1469=27...(8) HA ASP 131 - HB2 SER 130 far 6 56 10 - 4.0-5.6 HA GLN 134 - HB2 SER 130 far 0 86 0 - 6.4-9.2 HA CYS 125 - HB2 SER 130 far 0 80 0 - 7.8-10.6 HA LEU 69 - HB2 SER 130 far 0 93 0 - 8.0-10.5 HA CYS 125 - HB2 SER 50 far 0 85 0 - 8.0-9.9 HA ASP 131 - HB2 SER 50 far 0 60 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 1598 from aliabs.peaks (4.00, 3.82, 62.30 ppm; 3.33 A): 2 out of 10 assignments used, quality = 1.00: * HA SER 50 + HB2 SER 50 OK 100 100 100 100 2.2-2.8 3.0=100 HA GLN 127 + HB2 SER 50 OK 36 63 80 72 2.9-4.6 4037=21, 2858/1.8=15...(12) HA GLN 127 - HB2 SER 130 poor 12 58 20 - 3.1-5.5 HB3 SER 51 - HB2 SER 50 far 0 92 0 - 5.2-7.4 HB3 SER 124 - HB2 SER 50 far 0 90 0 - 7.4-9.9 HA SER 50 - HB2 SER 130 far 0 98 0 - 7.8-10.2 HB2 SER 124 - HB2 SER 50 far 0 99 0 - 8.1-10.3 HA ARG 135 - HB2 SER 130 far 0 76 0 - 8.4-10.6 HB3 SER 51 - HB2 SER 130 far 0 87 0 - 9.4-12.1 HA LEU 119 - HB2 SER 50 far 0 60 0 - 9.9-11.2 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): 2 out of 8 assignments used, quality = 1.00: * HB3 SER 50 + HB2 SER 50 OK 100 100 100 100 1.8-1.8 1.8=100 HA LEU 123 + HB2 SER 50 OK 33 63 70 74 3.7-5.9 3.9/11773=26...(13) HA ALA 46 - HB2 SER 130 far 0 90 0 - 4.5-7.0 HA ALA 46 - HB2 SER 50 far 0 95 0 - 5.4-7.3 HB3 SER 50 - HB2 SER 130 far 0 98 0 - 6.0-8.3 HA3 GLY 2 - HB2 SER 50 far 0 87 0 - 6.8-71.5 HA2 GLY 2 - HB2 SER 50 far 0 89 0 - 7.6-71.5 HA LEU 123 - HB2 SER 130 far 0 58 0 - 7.9-10.8 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 3 assignments used, quality = 0.99: * HA ASP 47 + HB3 SER 50 OK 99 100 100 99 2.6-4.8 1469/1.8=88, 1470=51...(8) HA CYS 125 - HB3 SER 50 far 0 85 0 - 8.7-10.8 HA ASP 131 - HB3 SER 50 far 0 60 0 - 9.8-11.3 Violated in 2 structures by 0.00 A. Peak 1604 from aliabs.peaks (4.00, 3.88, 62.30 ppm; 3.20 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 50 + HB3 SER 50 OK 100 100 100 100 2.2-3.0 3.0=100 HA GLN 127 - HB3 SER 50 poor 19 63 30 - 3.4-5.2 HB3 SER 51 - HB3 SER 50 far 0 92 0 - 4.2-7.2 HB3 SER 124 - HB3 SER 50 far 0 90 0 - 7.6-10.4 HB2 SER 124 - HB3 SER 50 far 0 99 0 - 8.4-11.0 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 4 assignments used, quality = 1.00: * HB2 SER 50 + HB3 SER 50 OK 100 100 100 100 1.8-1.8 1.8=100 HA LEU 123 - HB3 SER 50 far 7 65 10 - 3.9-5.8 HB2 SER 130 - HB3 SER 50 far 0 100 0 - 6.0-8.3 HA LEU 62 - HB3 SER 50 far 0 97 0 - 9.6-10.7 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 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 VAL 57 - HA SER 51 far 0 81 0 - 9.9-10.7 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 2 assignments used, quality = 1.00: * HB2 SER 51 + HA SER 51 OK 100 100 100 100 3.0-3.0 2.9=100 HA GLN 127 - HA SER 51 far 0 68 0 - 8.2-9.6 Violated in 0 structures by 0.00 A. Peak 1611 from aliabs.peaks (3.98, 4.22, 61.16 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * HB3 SER 51 + HA SER 51 OK 100 100 100 100 2.4-2.7 2.9=100 HA SER 50 - HA SER 51 far 0 92 0 - 4.7-4.8 HA GLN 127 - HA SER 51 far 0 95 0 - 8.2-9.6 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 3 assignments used, quality = 1.00: * H ALA 52 + HA SER 51 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 48 + HA SER 51 OK 74 78 95 100 6.9-7.5 ~1621=81, ~1615=79...(14) H VAL 57 - HA SER 51 far 0 85 0 - 9.9-10.7 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 3.4-4.0 6672=100, 6673/3.6=93...(5) Violated in 0 structures by 0.00 A. Peak 1614 from aliabs.peaks (4.46, 4.22, 61.16 ppm; 4.84 A increased from 4.56 A): 1 out of 1 assignment used, quality = 0.97: * HB THR 54 + HA SER 51 OK 97 100 100 97 4.6-4.9 1691=93, 4.0/6672=49, ~9223=16 Violated in 2 structures by 0.00 A. Peak 1615 from aliabs.peaks (4.10, 3.94, 62.66 ppm; 4.10 A): 1 out of 3 assignments used, quality = 0.99: * HA LEU 48 + HB2 SER 51 OK 99 100 100 99 2.4-3.5 1621/1.8=80, 1492=80...(9) HA LEU 49 - HB2 SER 51 far 0 99 0 - 5.1-5.4 HA CYS 45 - HB2 SER 51 far 0 93 0 - 7.6-8.6 Violated in 0 structures by 0.00 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 2.2-2.8 3.8=100 H VAL 57 - HB2 SER 51 far 0 81 0 - 9.8-11.0 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 1 assignment used, quality = 1.00: * HA SER 51 + HB2 SER 51 OK 100 100 100 100 3.0-3.0 2.9=100 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 4 assignments used, quality = 1.00: * HB3 SER 51 + HB2 SER 51 OK 100 100 100 100 1.8-1.8 1.8=100 HA SER 50 - HB2 SER 51 far 0 92 0 - 5.6-6.1 HA GLN 127 - HB2 SER 51 far 0 95 0 - 8.8-10.5 HA THR 65 - HB2 SER 51 far 0 97 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 1621 from aliabs.peaks (4.10, 3.98, 62.66 ppm; 5.24 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 48 + HB3 SER 51 OK 100 100 100 100 3.2-4.0 1615/1.8=98, 1493=87...(8) HA LEU 49 + HA SER 50 OK 69 69 100 100 4.8-4.9 4.8=100 HA LEU 49 - HB3 SER 51 far 0 99 0 - 6.0-6.7 HA LEU 48 - HA SER 50 far 0 71 0 - 6.8-6.9 HA ILE 32 - HA VAL 20 far 0 71 0 - 7.6-18.1 HA CYS 45 - HB3 SER 51 far 0 93 0 - 7.9-9.3 HA CYS 79 - HA VAL 20 far 0 73 0 - 8.0-26.4 HA CYS 45 - HA SER 50 far 0 62 0 - 9.8-10.2 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 9 assignments used, quality = 1.00: * HA SER 51 + HB3 SER 51 OK 100 100 100 100 2.4-2.7 2.9=100 HA SER 51 + HA SER 50 OK 71 71 100 99 4.7-4.8 4.9=91, ~1601=38...(12) HA SER 124 + HB2 SER 124 OK 35 35 100 100 2.6-3.0 3.0=100 HA SER 124 - HA SER 50 far 0 41 0 - 6.1-7.2 HA GLU 128 - HB2 SER 124 far 0 36 0 - 7.3-7.8 HB THR 25 - HA VAL 20 far 0 39 0 - 7.4-13.0 HA GLU 30 - HA VAL 20 far 0 74 0 - 9.0-22.5 HA GLU 128 - HA SER 50 far 0 43 0 - 9.1-10.1 HA ALA 28 - HA VAL 20 far 0 41 0 - 9.9-18.7 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 8 assignments used, quality = 1.00: * HB2 SER 51 + HB3 SER 51 OK 100 100 100 100 1.8-1.8 1.8=100 HA GLN 127 - HA SER 50 far 0 41 0 - 5.2-5.9 HB2 SER 51 - HA SER 50 far 0 71 0 - 5.6-6.1 HA3 GLY 17 - HA VAL 20 far 0 62 0 - 6.1-8.8 HA2 GLY 17 - HA VAL 20 far 0 70 0 - 6.2-8.8 HA GLN 127 - HB3 SER 51 far 0 68 0 - 7.8-10.5 HA GLN 127 - HB2 SER 124 far 0 35 0 - 8.1-8.3 HA3 GLY 14 - HA VAL 20 far 0 49 0 - 9.5-18.6 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 - 7.8-8.3 Violated in 0 structures by 0.00 A. Peak 1631 from aliabs.peaks (4.11, 1.48, 18.03 ppm; 3.32 A): 2 out of 5 assignments used, quality = 0.95: * HA LEU 49 + QB ALA 52 OK 80 100 100 80 2.4-3.2 2.9/9247=30, 1545=25...(12) HA ALA 52 + QB ALA 52 OK 73 73 100 100 2.1-2.1 2.1=100 HA LEU 48 - QB ALA 52 far 0 99 0 - 4.1-5.0 HA CYS 45 - QB ALA 52 far 0 99 0 - 7.5-8.1 HA3 GLY 114 - QB ALA 52 far 0 90 0 - 7.7-11.2 Violated in 0 structures by 0.00 A. Peak 1632 from aliabs.peaks (8.03, 1.48, 18.03 ppm; 5.00 A): 2 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 VAL 57 + QB ALA 52 OK 76 85 90 99 5.1-5.9 4.1/9317=81, 4.1/9312=78...(5) H LEU 48 - QB ALA 52 far 0 78 0 - 6.0-6.6 H CYS 125 - QB ALA 52 far 0 92 0 - 9.4-10.5 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 4 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 40 73 100 54 2.4-3.2 2.9/9247=19, 1545=10...(11) HA CYS 45 - QB ALA 52 far 0 89 0 - 7.5-8.1 HA3 GLY 114 - QB ALA 52 far 0 99 0 - 7.7-11.2 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 2.4-3.0 3.0=100 HB2 LEU 119 + HA LEU 53 OK 46 73 90 70 3.7-4.7 3.1/11621=43...(8) HB2 LEU 49 - HA LEU 53 far 0 71 0 - 7.3-8.3 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 5 assignments used, quality = 1.00: * HB3 LEU 53 + HA LEU 53 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 GLU 55 - HA LEU 53 far 0 100 0 - 6.6-7.2 HB3 PRO 56 - HA LEU 53 far 0 99 0 - 8.4-9.3 HG2 PRO 56 - HA LEU 53 far 0 93 0 - 8.9-9.6 HG3 PRO 56 - HA LEU 53 far 0 89 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 1640 from aliabs.peaks (1.94, 4.18, 56.53 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 53 + HA LEU 53 OK 100 100 100 100 2.9-3.7 2.1/1679=89, 4.3=83...(12) HB3 LEU 49 - HA LEU 53 far 0 81 0 - 6.0-7.0 HB2 PRO 113 - HA LEU 53 far 0 68 0 - 7.4-10.5 HG2 PRO 113 - HA LEU 53 far 0 100 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 1641 from aliabs.peaks (0.79, 4.18, 56.53 ppm; 3.95 A increased from 3.72 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 53 + HA LEU 53 OK 100 100 100 100 2.0-4.0 3.8=100 QD2 LEU 119 + HA LEU 53 OK 73 100 95 77 3.9-4.6 11621=60, 1683/1679=21...(4) QD1 LEU 122 - HA LEU 53 far 0 95 0 - 5.8-9.6 QD2 LEU 49 - HA LEU 53 far 0 100 0 - 5.9-7.4 QD2 LEU 122 - HA LEU 53 far 0 99 0 - 6.5-9.1 QD1 LEU 103 - HA LEU 53 far 0 96 0 - 6.6-8.1 QD1 LEU 96 - HA LEU 53 far 0 83 0 - 8.7-10.1 QG1 VAL 63 - HA LEU 53 far 0 97 0 - 9.8-11.4 Violated in 0 structures by 0.00 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 1.8-2.5 1679=100, 2.1/1640=51...(12) QD1 LEU 119 - HA LEU 53 far 0 63 0 - 5.7-6.2 QG1 VAL 57 - HA LEU 53 far 0 73 0 - 5.7-6.3 QG2 VAL 126 - HA LEU 53 far 0 100 0 - 7.6-9.0 QG1 VAL 126 - HA LEU 53 far 0 97 0 - 7.8-8.9 QG1 VAL 112 - HA LEU 53 far 0 100 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 1644 from aliabs.peaks (4.00, 1.52, 42.16 ppm; 4.69 A increased from 4.41 A): 2 out of 7 assignments used, quality = 1.00: * HA SER 50 + HB2 LEU 53 OK 99 100 100 99 3.1-4.7 9218/3.1=75, 1653/1.8=74...(12) HA LEU 119 + HB2 LEU 53 OK 29 60 50 95 4.5-7.1 11001/11809=46...(20) HB3 SER 51 - HB2 LEU 53 far 0 92 0 - 6.7-8.7 HB3 SER 124 - HB2 LEU 53 far 0 90 0 - 7.4-8.1 HA GLN 127 - HB2 LEU 53 far 0 63 0 - 8.3-9.8 HB2 SER 124 - HB2 LEU 53 far 0 99 0 - 8.7-9.6 HB3 SER 99 - HB2 LEU 53 far 0 100 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 1646 from aliabs.peaks (4.18, 1.52, 42.16 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 53 + HB2 LEU 53 OK 100 100 100 100 2.4-3.0 3.0=100 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 2 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 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 1649 from aliabs.peaks (1.94, 1.52, 42.16 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 53 + HB2 LEU 53 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 49 - HB2 LEU 53 far 0 81 0 - 5.2-6.9 HB2 PRO 113 - HB2 LEU 53 far 0 68 0 - 8.6-12.0 Violated in 0 structures by 0.00 A. Peak 1650 from aliabs.peaks (0.79, 1.52, 42.16 ppm; 3.64 A): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 53 + HB2 LEU 53 OK 100 100 100 100 2.4-3.2 3.1=100 QD2 LEU 119 - HB2 LEU 53 far 0 100 0 - 4.8-6.5 QD2 LEU 49 - HB2 LEU 53 far 0 100 0 - 5.4-7.4 QD1 LEU 122 - HB2 LEU 53 far 0 95 0 - 5.6-9.3 QD2 LEU 122 - HB2 LEU 53 far 0 99 0 - 6.0-8.8 QD1 LEU 103 - HB2 LEU 53 far 0 96 0 - 7.1-9.2 QD1 LEU 96 - HB2 LEU 53 far 0 83 0 - 7.9-9.8 Violated in 0 structures by 0.00 A. Peak 1651 from aliabs.peaks (0.97, 1.52, 42.16 ppm; 3.64 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 53 + HB2 LEU 53 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 119 - HB2 LEU 53 far 0 63 0 - 5.9-7.7 QG2 VAL 126 - HB2 LEU 53 far 0 100 0 - 6.7-8.6 QG1 VAL 126 - HB2 LEU 53 far 0 97 0 - 6.9-8.4 QG1 VAL 57 - HB2 LEU 53 far 0 73 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 1653 from aliabs.peaks (4.00, 1.99, 42.16 ppm; 4.89 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 50 + HB3 LEU 53 OK 100 100 100 100 2.4-4.7 9218/3.1=79, 1644/1.8=65...(11) HA LEU 119 - HB3 LEU 53 far 0 60 0 - 5.9-7.4 HB3 SER 51 - HB3 LEU 53 far 0 92 0 - 6.7-8.3 HA GLN 127 - HB3 LEU 53 far 0 63 0 - 7.6-9.6 HB3 SER 124 - HB3 LEU 53 far 0 90 0 - 7.7-8.6 HB2 SER 124 - HB3 LEU 53 far 0 99 0 - 9.0-9.8 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 1 assignment used, quality = 1.00: * HA LEU 53 + HB3 LEU 53 OK 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1656 from aliabs.peaks (1.52, 1.99, 42.16 ppm; 4.08 A): 1 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 far 0 73 0 - 5.3-6.2 HB2 LEU 49 - HB3 LEU 53 far 0 71 0 - 5.5-7.8 HG LEU 69 - HB3 LEU 53 far 0 99 0 - 9.5-12.4 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 3 assignments used, quality = 1.00: * HG LEU 53 + HB3 LEU 53 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 LEU 49 + HB3 LEU 53 OK 59 81 75 97 4.3-6.9 1674/3.1=37, 1682/3.1=29...(20) HB2 PRO 113 - HB3 LEU 53 far 0 68 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 1659 from aliabs.peaks (0.79, 1.99, 42.16 ppm; 3.85 A): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 53 + HB3 LEU 53 OK 100 100 100 100 1.9-3.2 3.1=100 QD2 LEU 49 - HB3 LEU 53 far 0 100 0 - 5.1-7.6 QD1 LEU 122 - HB3 LEU 53 far 0 95 0 - 5.3-9.0 QD2 LEU 119 - HB3 LEU 53 far 0 100 0 - 6.0-6.7 QD2 LEU 122 - HB3 LEU 53 far 0 99 0 - 6.7-8.8 QD1 LEU 96 - HB3 LEU 53 far 0 83 0 - 7.8-9.9 QD1 LEU 103 - HB3 LEU 53 far 0 96 0 - 8.2-9.7 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 2.4-3.2 3.1=100 QG1 VAL 126 - HB3 LEU 53 far 0 97 0 - 5.9-8.3 QG2 VAL 126 - HB3 LEU 53 far 0 100 0 - 6.3-8.5 QD1 LEU 119 - HB3 LEU 53 far 0 63 0 - 6.8-7.9 QG1 VAL 57 - HB3 LEU 53 far 0 73 0 - 7.5-8.0 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 1 assignment used, quality = 1.00: * HA LEU 53 + HG LEU 53 OK 100 100 100 100 2.9-3.7 4.3=100 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 2.2-3.0 3.0=100 HB2 LEU 119 + HG LEU 53 OK 43 73 60 97 4.1-5.6 ~11845=58, 1680/2.1=37...(16) HB2 LEU 49 + HG LEU 53 OK 42 71 60 98 4.6-6.7 1672/2.1=36, ~1674=33...(16) HG LEU 69 - HG LEU 53 far 0 99 0 - 8.4-10.6 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 3 assignments used, quality = 1.00: * HB3 LEU 53 + HG LEU 53 OK 100 100 100 100 2.3-2.8 3.0=100 HB2 GLU 55 - HG LEU 53 far 0 100 0 - 8.6-10.4 HB VAL 63 - HG LEU 53 far 0 63 0 - 9.7-12.4 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): 2 out of 8 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 60 91 3.6-5.9 1575=21, ~1552=18...(17) QD1 LEU 122 - HG LEU 53 far 5 95 5 - 3.4-7.3 QD2 LEU 119 - HG LEU 53 far 0 100 0 - 5.3-5.8 QD2 LEU 122 - HG LEU 53 far 0 99 0 - 5.4-7.3 QD1 LEU 103 - HG LEU 53 far 0 96 0 - 6.6-8.0 QD1 LEU 96 - HG LEU 53 far 0 83 0 - 6.7-8.0 QG1 VAL 63 - HG LEU 53 far 0 97 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 1668 from aliabs.peaks (0.97, 1.94, 27.00 ppm; 4.05 A): 1 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 QG2 VAL 126 - HG LEU 53 far 0 100 0 - 5.4-6.9 QG1 VAL 126 - HG LEU 53 far 0 97 0 - 5.5-7.1 QD1 LEU 119 - HG LEU 53 far 0 63 0 - 6.1-7.6 QG1 VAL 57 - HG LEU 53 far 0 73 0 - 6.6-8.7 Violated in 0 structures by 0.00 A. Peak 1671 from aliabs.peaks (4.18, 0.79, 26.16 ppm; 4.17 A increased from 3.71 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 53 + QD1 LEU 53 OK 100 100 100 100 2.0-4.0 3.8=100 HA HIS 67 - QD2 LEU 122 far 0 46 0 - 6.0-7.3 HA LEU 53 - QD2 LEU 122 far 0 84 0 - 6.5-9.1 HA GLU 128 - QD1 LEU 53 far 0 95 0 - 8.6-11.0 HA HIS 67 - QD1 LEU 53 far 0 63 0 - 9.0-10.4 HA VAL 105 - QD2 LEU 122 far 0 84 0 - 9.2-11.0 HA GLU 128 - QD2 LEU 122 far 0 75 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 1672 from aliabs.peaks (1.52, 0.79, 26.16 ppm; 3.32 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 53 + QD1 LEU 53 OK 100 100 100 100 2.4-3.2 3.1=100 HB2 LEU 49 + QD1 LEU 53 OK 52 71 85 86 2.9-4.1 1.8/1674=30, 3.0/1541=21...(20) HB2 LEU 119 - QD1 LEU 53 far 7 73 10 - 3.6-5.4 HB2 LEU 119 - QD2 LEU 122 far 0 55 0 - 4.4-7.6 HB2 LEU 53 - QD2 LEU 122 far 0 84 0 - 6.0-8.8 HB2 LEU 49 - QD2 LEU 122 far 0 53 0 - 6.0-7.2 HG LEU 69 - QD1 LEU 53 far 0 99 0 - 6.1-7.8 HG LEU 69 - QD2 LEU 122 far 0 82 0 - 6.2-8.1 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 12 assignments used, quality = 1.00: * HB3 LEU 53 + QD1 LEU 53 OK 100 100 100 100 1.9-3.2 3.1=100 HB VAL 63 - QD2 LEU 122 far 0 46 0 - 6.3-8.6 HB3 LEU 53 - QD2 LEU 122 far 0 84 0 - 6.7-8.8 HB3 PRO 117 - QD2 LEU 122 far 0 75 0 - 6.9-8.7 HB2 GLU 55 - QD1 LEU 53 far 0 100 0 - 7.2-9.2 HB ILE 129 - QD2 LEU 122 far 0 80 0 - 7.7-10.8 HB ILE 129 - QD1 LEU 53 far 0 98 0 - 8.1-10.4 HB VAL 63 - QD1 LEU 53 far 0 63 0 - 8.2-9.8 HB3 PRO 56 - QD1 LEU 53 far 0 99 0 - 9.0-11.6 HG2 PRO 56 - QD1 LEU 53 far 0 93 0 - 9.2-11.6 HB3 PRO 117 - QD1 LEU 53 far 0 95 0 - 9.4-10.4 HG3 PRO 56 - QD1 LEU 53 far 0 89 0 - 9.9-12.1 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 11 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 69 81 100 85 1.7-2.9 1.8/1552=25, 3.0/1541=20...(21) HB3 LYS 95 - QD2 LEU 122 far 0 83 0 - 4.7-7.9 HB3 LEU 49 - QD2 LEU 122 far 0 61 0 - 4.8-6.1 HB2 LYS 95 - QD2 LEU 122 far 0 84 0 - 5.2-8.8 HG LEU 53 - QD2 LEU 122 far 0 84 0 - 5.4-7.3 HB3 LYS 95 - QD1 LEU 53 far 0 100 0 - 8.8-11.3 HB2 PRO 113 - QD1 LEU 53 far 0 68 0 - 8.9-12.2 HB2 PRO 58 - QD1 LEU 53 far 0 95 0 - 9.0-11.5 HB2 LYS 95 - QD1 LEU 53 far 0 100 0 - 9.0-12.0 HB2 PRO 58 - QD2 LEU 122 far 0 75 0 - 9.9-13.0 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): 1 out of 12 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 far 8 83 10 - 3.1-4.8 QD2 LEU 53 - QD2 LEU 122 far 0 84 0 - 3.2-5.9 QG2 VAL 126 - QD1 LEU 53 far 0 100 0 - 3.4-5.1 QG1 VAL 126 - QD1 LEU 53 far 0 97 0 - 3.5-5.1 QG1 VAL 57 - QD1 LEU 53 far 0 73 0 - 5.2-7.6 QD1 LEU 119 - QD2 LEU 122 far 0 46 0 - 5.2-7.8 QG1 VAL 126 - QD2 LEU 122 far 0 79 0 - 5.3-6.6 QD1 LEU 119 - QD1 LEU 53 far 0 63 0 - 5.4-6.8 QG1 VAL 105 - QD2 LEU 122 far 0 75 0 - 7.2-8.7 QG1 VAL 57 - QD2 LEU 122 far 0 55 0 - 8.5-11.2 QG1 VAL 112 - QD1 LEU 53 far 0 100 0 - 8.9-11.2 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 2 assignments used, quality = 0.98: * HA LEU 53 + QD2 LEU 53 OK 98 100 100 98 1.8-2.5 1642=77, 1640/2.1=42...(12) HA HIS 67 - QD2 LEU 53 far 0 63 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 1680 from aliabs.peaks (1.52, 0.97, 25.20 ppm; 3.28 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 53 + QD2 LEU 53 OK 100 100 100 100 2.1-3.2 3.1=100 HB2 LEU 119 + QD2 LEU 53 OK 56 73 100 76 1.9-2.8 2.9/11845=47...(10) HB2 LEU 49 - QD2 LEU 53 far 0 71 0 - 4.8-6.6 HG LEU 69 - QD2 LEU 53 far 0 99 0 - 7.8-10.0 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 7 assignments used, quality = 1.00: * HB3 LEU 53 + QD2 LEU 53 OK 100 100 100 100 2.4-3.2 3.1=100 HB2 GLU 55 - QD2 LEU 53 far 0 100 0 - 7.1-8.3 HB VAL 63 - QD2 LEU 53 far 0 63 0 - 7.4-9.4 HB3 PRO 117 - QD2 LEU 53 far 0 95 0 - 8.0-9.2 HB3 PRO 56 - QD2 LEU 53 far 0 99 0 - 8.4-9.9 HG2 PRO 56 - QD2 LEU 53 far 0 93 0 - 9.0-10.2 HG3 PRO 56 - QD2 LEU 53 far 0 89 0 - 9.6-10.8 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 7 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 35 81 50 86 3.4-5.3 1674/2.1=27, ~1552=16...(21) HB2 PRO 113 - QD2 LEU 53 far 0 68 0 - 7.8-10.3 HB2 PRO 58 - QD2 LEU 53 far 0 95 0 - 8.7-9.9 HG2 PRO 113 - QD2 LEU 53 far 0 100 0 - 9.6-11.8 HB3 LYS 95 - QD2 LEU 53 far 0 100 0 - 9.6-11.0 HB2 LYS 95 - QD2 LEU 53 far 0 100 0 - 10.0-12.2 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 9 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 15 100 30 51 2.7-3.5 3790/11845=24...(7) QD1 LEU 122 - QD2 LEU 53 far 0 95 0 - 3.1-6.3 QD2 LEU 122 - QD2 LEU 53 far 0 99 0 - 3.2-5.9 QD2 LEU 49 - QD2 LEU 53 far 0 100 0 - 3.3-5.6 QD1 LEU 103 - QD2 LEU 53 far 0 96 0 - 4.2-5.7 QD1 LEU 96 - QD2 LEU 53 far 0 83 0 - 5.3-7.4 QG1 VAL 63 - QD2 LEU 53 far 0 97 0 - 6.6-8.7 QD1 LEU 70 - QD2 LEU 53 far 0 85 0 - 9.9-11.9 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 1 assignment used, quality = 1.00: * HB THR 54 + HA THR 54 OK 100 100 100 100 2.3-2.5 3.0=100 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 2.4-3.2 3.2=100 QG2 THR 65 - HA THR 54 far 0 92 0 - 9.9-10.9 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 2 assignments used, quality = 1.00: * HA SER 51 + HB THR 54 OK 100 100 100 100 4.6-4.9 1614=100, 6672/4.0=85, ~9223=33 HA SER 124 - HB THR 54 far 0 68 0 - 9.1-12.1 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 2.3-2.5 3.0=100 HA ASN 120 - HB THR 54 far 0 100 0 - 7.2-10.3 HA HIS 5 - HB THR 54 far 0 95 0 - 9.0-65.8 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 - 9.8-11.2 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 = 0.94: * HA THR 54 + QG2 THR 54 OK 94 100 100 94 2.4-3.2 1689=82, 3.0/6684=39...(6) HA ASN 120 - QG2 THR 54 far 0 100 0 - 5.7-7.4 HA HIS 5 - QG2 THR 54 far 0 95 0 - 6.2-53.0 Violated in 3 structures by 0.04 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 - 9.4-11.0 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): 4 out of 5 assignments used, quality = 1.00: * HB2 GLU 55 + HA GLU 55 OK 100 100 100 100 2.5-2.7 3.0=100 HB3 PRO 56 + HA GLU 55 OK 97 97 100 99 4.8-4.9 3.0/1732=53, 3.0/1734=53...(22) HG2 PRO 56 + HA GLU 55 OK 88 89 100 99 4.5-4.7 2.3/1732=53, 2.3/1734=53...(18) HG3 PRO 56 + HA GLU 55 OK 82 83 100 99 4.5-4.6 2.3/1732=53, 2.3/1734=53...(18) HB3 LEU 53 - HA GLU 55 far 0 100 0 - 7.5-8.0 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 2 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 0 90 0 - 9.1-11.6 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 3.5-3.6 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 2.4-4.1 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 2.5-2.7 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 4 assignments used, quality = 1.00: * HB3 GLU 55 + HB2 GLU 55 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 27 - HB3 GLU 30 far 2 20 10 - 2.8-9.0 HG2 PRO 58 - HB2 GLU 55 far 0 92 0 - 9.6-9.9 HG3 PRO 58 - HB2 GLU 55 far 0 78 0 - 9.9-10.1 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 1 assignment used, quality = 1.00: * HG2 GLU 55 + HB2 GLU 55 OK 100 100 100 100 2.5-2.9 3.0=100 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 1 assignment used, quality = 1.00: * HG3 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 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 2.3-3.7 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): 1 out of 5 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 far 0 89 0 - 4.8-5.5 HG3 PRO 56 - HB3 GLU 55 far 0 83 0 - 5.2-6.3 HB3 PRO 56 - HB3 GLU 55 far 0 97 0 - 6.2-6.7 HB3 LEU 53 - HB3 GLU 55 far 0 100 0 - 6.9-8.4 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 2.3-3.0 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 1.9-4.2 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 3.5-3.6 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): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 55 + HG2 GLU 55 OK 100 100 100 100 2.5-2.9 3.0=100 HG2 PRO 81 - HG3 GLN 82 poor 10 48 20 - 2.3-8.1 HG2 PRO 81 - HG2 GLN 82 far 6 37 15 - 3.8-8.1 HG2 PRO 56 - HG2 GLU 55 far 0 89 0 - 5.7-6.2 HB3 LEU 53 - HG2 GLU 55 far 0 100 0 - 5.8-8.6 HG3 PRO 56 - HG2 GLU 55 far 0 83 0 - 6.3-7.1 HB3 PRO 56 - HG2 GLU 55 far 0 97 0 - 7.0-7.6 HB3 MET 11 - HG2 GLN 82 far 0 30 0 - 7.7-49.5 HB3 MET 11 - HG3 GLN 82 far 0 39 0 - 9.2-49.1 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 2.3-3.0 3.0=100 HG3 PRO 81 - HG3 GLN 82 poor 11 56 20 - 2.3-6.9 HG3 PRO 81 - HG2 GLN 82 far 2 44 5 - 3.8-7.9 HG3 ARG 135 - HG2 GLN 82 far 2 43 5 - 4.1-7.1 HG3 ARG 135 - HG3 GLN 82 far 0 55 0 - 4.6-8.1 HB2 PRO 81 - HG3 GLN 82 far 0 31 0 - 4.8-8.1 HB2 PRO 81 - HG2 GLN 82 far 0 24 0 - 6.1-7.7 HB3 MET 11 - HG2 GLN 82 far 0 22 0 - 7.7-49.5 QE MET 11 - HG2 GLN 82 far 0 39 0 - 8.1-43.3 HB2 LEU 62 - HG2 GLU 55 far 0 90 0 - 8.5-11.9 QE MET 11 - HG3 GLN 82 far 0 50 0 - 9.1-42.9 HB3 MET 11 - HG3 GLN 82 far 0 28 0 - 9.2-49.1 HG2 PRO 58 - HG2 GLU 55 far 0 92 0 - 9.4-11.7 HB2 GLN 134 - HG2 GLN 82 far 0 31 0 - 9.4-12.3 HB2 GLN 134 - HG3 GLN 82 far 0 41 0 - 9.6-12.7 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 1 assignment used, quality = 1.00: * HG3 GLU 55 + HG2 GLU 55 OK 100 100 100 100 1.8-1.8 1.8=100 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 2.9-4.4 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 2.4-4.1 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): 1 out of 5 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 4 89 5 - 4.6-6.6 HG3 PRO 56 - HG3 GLU 55 far 0 83 0 - 5.0-7.3 HB3 PRO 56 - HG3 GLU 55 far 0 97 0 - 6.3-7.9 HB3 LEU 53 - HG3 GLU 55 far 0 100 0 - 6.5-9.3 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 4 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 GLU 55 far 0 92 0 - 8.6-12.3 HG3 PRO 58 - HG3 GLU 55 far 0 78 0 - 9.1-12.8 HB2 LEU 62 - HG3 GLU 55 far 0 90 0 - 9.6-12.5 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 2.4-2.6 3.8=84, 3.9/9283=32...(24) HA GLU 55 + HD3 PRO 56 OK 88 90 100 98 2.3-2.4 3.8=84, 3.0/9281=22...(24) 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 2.4-2.6 3.8=100 HD3 PRO 56 + HA GLU 55 OK 97 97 100 100 2.3-2.4 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 98 100 100 98 2.3-2.4 3.8=84, 3.0/9281=22...(24) HA GLU 55 + HD2 PRO 56 OK 88 90 100 99 2.4-2.6 3.8=84, 3.9/9283=33...(24) 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 2.3-2.4 3.8=100 HD2 PRO 56 + HA GLU 55 OK 97 97 100 100 2.4-2.6 3.8=100 HD2 PRO 58 - HA GLU 55 far 0 63 0 - 9.2-9.3 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 2 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 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 2 assignments used, quality = 1.00: * HB2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 4.0-4.0 3.0=100 HB2 PRO 56 + HD3 PRO 56 OK 90 90 100 100 3.9-3.9 3.0=100 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 10 assignments used, quality = 1.00: * HB3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 3.9-3.9 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 1.8-2.2 4.8=58, 3.0/9283=49...(20) HB3 PRO 56 + HD3 PRO 56 OK 90 90 100 100 3.0-3.0 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 3.3-3.6 4.8=58, 6692/4.8=39...(25) HB3 LEU 53 - HD3 PRO 56 far 0 87 0 - 9.4-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 99 0 - 9.6-9.9 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 10 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 3.9-3.9 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 88 89 100 100 1.8-2.2 4.8=58, 3.0/9283=49...(20) HB3 PRO 56 + HD3 PRO 56 OK 87 87 100 100 3.0-3.0 3.0=100 HB2 GLU 55 + HD3 PRO 56 OK 74 74 100 100 3.3-3.6 4.8=58, 6692/4.8=36...(25) HB3 LEU 53 - HD3 PRO 56 far 0 79 0 - 9.4-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 93 0 - 9.6-9.9 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 10 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 3.9-3.9 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 3.0-3.0 3.0=100 HB2 GLU 55 + HD2 PRO 56 OK 83 83 100 100 1.8-2.2 4.8=56, 3.0/9283=48...(20) HB2 GLU 55 + HD3 PRO 56 OK 68 68 100 100 3.3-3.6 4.8=56, 1.8/9282=35...(25) HB3 LEU 53 - HD3 PRO 56 far 0 74 0 - 9.4-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 89 0 - 9.6-9.9 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 2 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 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 2 assignments used, quality = 1.00: * HB2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.9-3.9 3.0=100 HB2 PRO 56 + HD2 PRO 56 OK 90 90 100 100 4.0-4.0 3.0=100 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 10 assignments used, quality = 1.00: * HB3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.0 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 3.3-3.6 4.8=57, 6692/4.8=39...(25) HB3 PRO 56 + HD2 PRO 56 OK 90 90 100 100 3.9-3.9 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 1.8-2.2 4.8=57, 3.0/9283=50...(20) HB3 LEU 53 - HD3 PRO 56 far 0 99 0 - 9.4-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 87 0 - 9.6-9.9 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 10 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 3.0-3.0 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 3.3-3.6 4.8=57, 6692/4.8=35...(25) HB3 PRO 56 + HD2 PRO 56 OK 87 87 100 100 3.9-3.9 3.0=100 HB2 GLU 55 + HD2 PRO 56 OK 74 74 100 100 1.8-2.2 4.8=57, 3.0/9283=50...(20) HB3 LEU 53 - HD3 PRO 56 far 0 93 0 - 9.4-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 79 0 - 9.6-9.9 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 10 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 3.0-3.0 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 3.9-3.9 3.0=100 HB2 GLU 55 + HD3 PRO 56 OK 83 83 100 100 3.3-3.6 4.8=56, 3.0/1734=34...(25) HB2 GLU 55 + HD2 PRO 56 OK 68 68 100 100 1.8-2.2 4.8=56, 3.0/9283=49...(20) HB3 LEU 53 - HD3 PRO 56 far 0 89 0 - 9.4-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 74 0 - 9.6-9.9 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 2.7-2.7 2.3=100 HB VAL 112 - HA PRO 56 far 0 89 0 - 7.3-8.5 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 6 assignments used, quality = 1.00: * HB3 PRO 56 + HA PRO 56 OK 100 100 100 100 2.3-2.3 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 far 0 97 0 - 4.6-4.8 HB3 LEU 53 - HA PRO 56 far 0 99 0 - 8.4-9.7 HG2 PRO 58 - HA PRO 56 far 0 68 0 - 8.5-8.6 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 6 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 2.3-2.3 2.3=100 HB2 GLU 55 - HA PRO 56 far 0 89 0 - 4.6-4.8 HB3 LEU 53 - HA PRO 56 far 0 93 0 - 8.4-9.7 HG2 PRO 58 - HA PRO 56 far 0 85 0 - 8.5-8.6 Violated in 0 structures by 0.00 A. Peak 1756 from aliabs.peaks (2.01, 4.67, 62.91 ppm; 4.10 A): 4 out of 6 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 2.3-2.3 2.3=100 HB2 GLU 55 + HA PRO 56 OK 55 83 90 73 4.6-4.8 9315/10920=28...(7) HB3 LEU 53 - HA PRO 56 far 0 89 0 - 8.4-9.7 HG2 PRO 58 - HA PRO 56 far 0 90 0 - 8.5-8.6 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 0 63 0 - 6.6-6.7 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 1 assignment used, quality = 1.00: * HA PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 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 5 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 2.3-2.3 2.3=100 HG3 PRO 56 + HB2 PRO 56 OK 97 97 100 100 2.7-2.7 2.3=100 HB2 GLU 55 - HB2 PRO 56 far 0 97 0 - 5.1-5.3 HG2 PRO 58 - HB2 PRO 56 far 0 68 0 - 8.4-8.9 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 5 assignments used, quality = 1.00: * HG2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.7-2.7 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 - 5.1-5.3 HG2 PRO 58 - HB2 PRO 56 far 0 85 0 - 8.4-8.9 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 5 assignments used, quality = 1.00: * HG3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.3-2.3 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 - 5.1-5.3 HG2 PRO 58 - HB2 PRO 56 far 0 90 0 - 8.4-8.9 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 4.0-4.0 3.0=100 HD3 PRO 56 + HB2 PRO 56 OK 97 97 100 100 3.9-3.9 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 3.9-3.9 3.0=100 HD2 PRO 56 + HB2 PRO 56 OK 97 97 100 100 4.0-4.0 3.0=100 HD2 PRO 58 - HB2 PRO 56 far 0 63 0 - 6.5-6.8 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 4 assignments used, quality = 1.00: * HA PRO 56 + HB3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HA ASN 13 - HB2 GLU 91 far 3 50 5 - 4.0-43.1 HA HIS 10 - HB2 GLU 91 far 0 67 0 - 5.4-45.4 HA HIS 8 - HB2 GLU 91 far 0 67 0 - 7.0-52.6 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 - 8.3-9.5 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 3.9-3.9 3.0=100 HD3 PRO 56 + HB3 PRO 56 OK 97 97 100 100 3.0-3.0 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 3.0-3.0 3.0=100 HD2 PRO 56 + HB3 PRO 56 OK 97 97 100 100 3.9-3.9 3.0=100 HD2 PRO 58 - HB3 PRO 56 far 0 63 0 - 7.9-8.1 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 4 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 81 far 0 78 0 - 7.8-44.6 HA PRO 56 - HG2 PRO 58 far 0 29 0 - 8.5-8.6 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 5 assignments used, quality = 1.00: * HB2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 PRO 81 + HG2 PRO 81 OK 99 99 100 100 2.3-3.0 2.3=100 HB2 PRO 56 - HG2 PRO 58 far 0 29 0 - 8.4-8.9 HB VAL 112 - HG2 PRO 58 far 0 23 0 - 8.7-10.7 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 - 7.1-7.4 HD2 PRO 58 - HG3 PRO 56 far 0 62 0 - 8.6-8.9 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 4 assignments used, quality = 1.00: * H VAL 57 + HG2 PRO 56 OK 100 100 100 100 5.0-5.0 6697/3.8=100...(5) H VAL 57 + HG3 PRO 56 OK 100 100 100 100 5.8-5.8 6697/3.8=100, ~9322=46...(6) H VAL 57 + HG2 PRO 58 OK 22 29 100 74 6.5-6.6 ~10921=51, 3.0/9322=46 H ALA 52 - HG2 PRO 56 far 0 85 0 - 10.0-10.4 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 4 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 81 far 0 76 0 - 7.8-44.6 HA PRO 56 - HG2 PRO 58 far 0 36 0 - 8.5-8.6 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 5 assignments used, quality = 1.00: * HB2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 81 + HG2 PRO 81 OK 98 98 100 100 2.3-3.0 2.3=100 HB2 PRO 56 - HG2 PRO 58 far 0 36 0 - 8.4-8.9 HB VAL 112 - HG2 PRO 58 far 0 28 0 - 8.7-10.7 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 - 7.1-7.4 HD2 PRO 58 - HG3 PRO 56 far 0 63 0 - 8.6-8.9 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 4 assignments used, quality = 1.00: * H VAL 57 + HG3 PRO 56 OK 100 100 100 100 5.8-5.8 6697/3.8=100, ~9322=46...(6) H VAL 57 + HG2 PRO 56 OK 100 100 100 100 5.0-5.0 6697/3.8=100...(5) H VAL 57 + HG2 PRO 58 OK 27 36 100 74 6.5-6.6 ~10921=51, 3.0/9322=45 H ALA 52 - HG2 PRO 56 far 0 84 0 - 10.0-10.4 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): 1 out of 5 assignments used, quality = 1.00: * HB VAL 57 + HA VAL 57 OK 100 100 100 100 2.6-2.7 3.0=100 HB3 GLN 61 - HA VAL 57 far 10 97 10 - 4.2-4.9 HG3 PRO 58 - HA VAL 57 far 0 68 0 - 4.4-4.5 HB2 GLN 61 - HA VAL 57 far 0 99 0 - 4.8-5.9 HB VAL 112 - HA VAL 57 far 0 68 0 - 7.9-9.6 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 1 assignment used, quality = 1.00: * QG2 VAL 57 + HA VAL 57 OK 100 100 100 100 3.1-3.2 3.2=100 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 6 assignments used, quality = 1.00: * QG1 VAL 57 + HA VAL 57 OK 100 100 100 100 2.1-2.2 3.2=100 QD1 LEU 62 - HA VAL 57 far 0 60 0 - 5.8-6.6 QD2 LEU 53 - HA VAL 57 far 0 73 0 - 7.1-8.4 QG2 VAL 112 - HA VAL 57 far 0 85 0 - 7.2-8.1 QG1 VAL 112 - HA VAL 57 far 0 76 0 - 7.7-9.0 QD1 LEU 119 - HA VAL 57 far 0 100 0 - 8.0-8.8 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 2.6-2.7 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 2 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 - 9.1-9.9 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 8 assignments used, quality = 1.00: * QG1 VAL 57 + HB VAL 57 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 62 - HB VAL 57 far 0 60 0 - 4.2-5.0 QD2 LEU 53 - HB VAL 57 far 0 73 0 - 5.4-6.9 QD1 LEU 119 - HB VAL 57 far 0 100 0 - 7.3-8.0 QG2 VAL 112 - HB VAL 57 far 0 85 0 - 7.9-8.9 QG1 VAL 112 - HB VAL 57 far 0 76 0 - 8.4-9.9 QD1 LEU 49 - HB VAL 57 far 0 57 0 - 9.0-9.7 QD1 LEU 123 - HB VAL 57 far 0 89 0 - 9.9-11.1 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 3.1-3.2 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 7 assignments used, quality = 1.00: * HB VAL 57 + QG2 VAL 57 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 GLN 61 - QG2 VAL 57 far 0 97 0 - 3.7-4.5 HB2 GLN 61 - QG2 VAL 57 far 0 99 0 - 4.9-5.6 HG3 PRO 58 - QG2 VAL 57 far 0 68 0 - 5.8-6.1 HB VAL 112 - QG2 VAL 57 far 0 68 0 - 6.9-8.1 HB VAL 118 - QG2 VAL 57 far 0 73 0 - 8.7-10.0 HB VAL 126 - QG2 VAL 57 far 0 85 0 - 9.5-9.9 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 10 assignments used, quality = 1.00: * QG1 VAL 57 + QG2 VAL 57 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 LEU 62 + QG2 VAL 57 OK 35 60 70 83 2.8-3.4 2.1/9319=41, 2.1/9316=33...(10) QD2 LEU 53 - QG2 VAL 57 far 0 73 0 - 3.4-4.6 QD1 LEU 119 - QG2 VAL 57 far 0 100 0 - 5.4-6.0 QG1 VAL 112 - QG2 VAL 57 far 0 76 0 - 6.7-7.9 QG2 VAL 112 - QG2 VAL 57 far 0 85 0 - 6.9-7.5 QD1 LEU 123 - QG2 VAL 57 far 0 89 0 - 7.0-7.8 QD1 LEU 49 - QG2 VAL 57 far 0 57 0 - 7.2-7.7 QG2 VAL 126 - QG2 VAL 57 far 0 83 0 - 8.2-8.7 QG1 VAL 126 - QG2 VAL 57 far 0 93 0 - 8.2-8.7 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 2.1-2.2 3.2=89, 3.0/6707=38...(12) Violated in 0 structures by 0.00 A. Peak 1809 from aliabs.peaks (2.09, 0.94, 21.27 ppm; 2.76 A): 1 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 HB3 GLN 61 - QG1 VAL 57 far 0 97 0 - 3.4-4.0 HB2 GLN 61 - QG1 VAL 57 far 0 99 0 - 3.7-4.5 HG3 PRO 58 - QG1 VAL 57 far 0 68 0 - 4.4-4.7 HB2 GLU 102 - QG1 VAL 105 far 0 64 0 - 5.0-6.0 HB VAL 118 - QG1 VAL 105 far 0 42 0 - 8.0-9.1 HB VAL 112 - QG1 VAL 57 far 0 68 0 - 8.4-9.8 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 6 assignments used, quality = 1.00: * QG2 VAL 57 + QG1 VAL 57 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 LEU 98 - QG1 VAL 105 far 0 67 0 - 6.9-7.8 QD2 LEU 123 - QG1 VAL 57 far 0 71 0 - 8.0-8.4 QD2 LEU 98 - QG1 VAL 105 far 0 40 0 - 8.0-9.6 QD2 LEU 70 - QG1 VAL 105 far 0 67 0 - 8.9-9.8 QD2 LEU 69 - QG1 VAL 57 far 0 98 0 - 9.3-10.0 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 2.3-2.5 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 2.3-2.5 3.8=100 HD3 PRO 56 - HA VAL 57 far 0 63 0 - 6.8-6.9 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 2.3-2.3 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 2 assignments used, quality = 1.00: * HD3 PRO 58 + HA VAL 57 OK 100 100 100 100 2.3-2.3 3.8=100 HA LEU 62 - HA VAL 57 far 0 90 0 - 7.6-8.2 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 2 assignments used, quality = 1.00: * HB2 PRO 58 + HD2 PRO 58 OK 100 100 100 100 4.0-4.0 3.0=100 HG LEU 53 - HD2 PRO 58 far 0 95 0 - 9.3-11.6 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 3.9-3.9 3.0=100 HG3 GLN 61 + HD2 PRO 58 OK 100 100 100 100 3.7-4.9 10935=98, 10937/9309=83...(12) 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 6 assignments used, quality = 1.00: * HG2 PRO 58 + HD2 PRO 58 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 56 - HD2 PRO 58 far 0 85 0 - 7.1-7.4 HB3 GLU 55 - HD2 PRO 58 far 0 92 0 - 7.8-9.3 HB3 PRO 56 - HD2 PRO 58 far 0 68 0 - 7.9-8.1 HG3 PRO 56 - HD2 PRO 58 far 0 90 0 - 8.6-8.9 HB VAL 63 - HD2 PRO 58 far 0 100 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 1820 from aliabs.peaks (2.06, 3.62, 50.62 ppm; 4.37 A): 2 out of 4 assignments used, quality = 1.00: * HG3 PRO 58 + HD2 PRO 58 OK 100 100 100 100 2.7-2.7 2.3=100 HB VAL 57 + HD2 PRO 58 OK 68 68 100 100 1.9-2.6 2.1/9309=92, 2.1/9306=82...(19) HB2 LEU 62 - HD2 PRO 58 far 0 99 0 - 6.8-7.9 HB3 GLU 55 - HD2 PRO 58 far 0 78 0 - 7.8-9.3 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 2 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 - 6.5-6.8 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 1 assignment used, quality = 1.00: * HB2 PRO 58 + HD3 PRO 58 OK 100 100 100 100 3.9-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1826 from aliabs.peaks (2.41, 3.82, 50.62 ppm; 4.77 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 58 + HD3 PRO 58 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 GLN 61 - HD3 PRO 58 far 0 100 0 - 5.4-6.6 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 5 assignments used, quality = 1.00: * HG2 PRO 58 + HD3 PRO 58 OK 100 100 100 100 3.0-3.0 2.3=100 HG2 PRO 56 - HD3 PRO 58 far 0 85 0 - 6.6-7.1 HB3 PRO 56 - HD3 PRO 58 far 0 68 0 - 7.1-7.6 HG3 PRO 56 - HD3 PRO 58 far 0 90 0 - 8.0-8.5 HB3 GLU 55 - HD3 PRO 58 far 0 92 0 - 8.6-9.8 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 4 assignments used, quality = 1.00: * HG3 PRO 58 + HD3 PRO 58 OK 100 100 100 100 2.3-2.3 2.3=100 HB VAL 57 + HD3 PRO 58 OK 68 68 100 100 3.4-3.9 2.1/9308=85, 4.8=61...(17) HB2 LEU 62 - HD3 PRO 58 far 0 99 0 - 8.1-9.3 HB3 GLU 55 - HD3 PRO 58 far 0 78 0 - 8.6-9.8 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 - 8.8-9.1 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 2 assignments used, quality = 1.00: * HB2 PRO 58 + HA PRO 58 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 113 - HA PRO 58 far 0 89 0 - 8.9-10.4 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 2 assignments used, quality = 1.00: * HB3 PRO 58 + HA PRO 58 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 GLN 61 - HA PRO 58 far 0 100 0 - 6.2-7.6 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 5 assignments used, quality = 1.00: * HG2 PRO 58 + HA PRO 58 OK 100 100 100 100 3.9-3.9 3.8=100 HB3 PRO 56 - HA PRO 58 far 0 68 0 - 8.0-8.4 HG2 PRO 56 - HA PRO 58 far 0 85 0 - 8.7-9.0 HB VAL 63 - HA PRO 58 far 0 100 0 - 8.7-9.3 HG3 PRO 56 - HA PRO 58 far 0 90 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 1836 from aliabs.peaks (2.06, 4.45, 62.57 ppm; 4.59 A): 2 out of 4 assignments used, quality = 1.00: * HG3 PRO 58 + HA PRO 58 OK 100 100 100 100 4.0-4.0 3.8=100 HB VAL 57 + HA PRO 58 OK 62 68 100 92 4.7-4.8 9302/3.6=37, 9303/3.6=36...(8) HB2 LEU 62 - HA PRO 58 far 0 99 0 - 6.6-8.0 HG3 PRO 113 - HA PRO 58 far 0 99 0 - 8.7-10.6 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 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 aliabs.peaks (3.82, 4.45, 62.57 ppm; 6.13 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 0 90 0 - 7.8-8.3 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 2 assignments used, quality = 1.00: * HA PRO 58 + HB2 PRO 58 OK 100 100 100 100 2.7-2.7 2.3=100 HA ASP 64 - HB2 PRO 58 far 0 100 0 - 10.0-10.5 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): 1 out of 12 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 82 - HB3 PRO 81 poor 10 51 20 - 3.4-6.7 HG2 GLN 82 - HB3 PRO 81 far 0 60 0 - 4.6-6.2 HG3 GLU 97 - HB2 LYS 95 far 0 83 0 - 5.6-5.9 HG3 GLU 97 - HB3 LYS 95 far 0 90 0 - 5.9-6.3 HG3 GLN 61 - HB2 PRO 58 far 0 100 0 - 5.9-6.5 HG3 GLN 82 - HB3 LYS 86 far 0 37 0 - 6.1-8.8 HG3 GLU 128 - HB2 LYS 95 far 0 77 0 - 6.3-8.4 HG2 GLN 82 - HB3 LYS 86 far 0 44 0 - 6.6-8.7 HG3 GLU 128 - HB3 LYS 95 far 0 85 0 - 7.2-9.7 HG2 GLN 101 - HB3 LYS 95 far 0 76 0 - 9.3-11.8 HG2 GLN 101 - HB2 LYS 95 far 0 69 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 1843 from aliabs.peaks (2.03, 1.95, 32.16 ppm; 4.74 A): 4 out of 25 assignments used, quality = 1.00: * HG2 PRO 58 + HB2 PRO 58 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 81 + HB3 PRO 81 OK 64 64 100 100 2.3-2.7 2.3=100 HG3 PRO 81 + HB3 PRO 81 OK 58 58 100 100 2.3-2.7 2.3=100 HB2 PRO 81 + HB3 PRO 81 OK 39 39 100 100 1.8-1.8 1.8=100 QE MET 11 - HB2 LYS 95 far 4 86 5 - 5.1-37.5 HG2 ARG 90 - HB3 LYS 86 far 3 64 5 - 5.1-7.3 QE MET 11 - HB3 LYS 95 far 0 93 0 - 5.6-38.0 HB3 GLU 91 - HB2 LYS 95 far 0 84 0 - 6.0-7.9 HG2 PRO 81 - HB3 LYS 86 far 0 47 0 - 7.0-10.7 HG3 PRO 81 - HB3 LYS 86 far 0 42 0 - 7.1-10.0 HB VAL 20 - HB3 LYS 86 far 0 37 0 - 7.2-34.2 HB3 GLU 91 - HB3 LYS 95 far 0 92 0 - 7.3-8.8 HB VAL 63 - HB2 PRO 58 far 0 100 0 - 7.3-7.7 HB3 MET 11 - HB2 LYS 95 far 0 76 0 - 7.4-42.8 HG3 ARG 135 - HB3 PRO 81 far 0 83 0 - 7.6-9.1 HB3 MET 11 - HB3 LYS 95 far 0 83 0 - 7.9-43.5 HB VAL 20 - HB3 PRO 81 far 0 51 0 - 8.0-35.4 HG3 ARG 135 - HB3 LYS 86 far 0 63 0 - 8.4-9.8 HB ILE 129 - HB2 LYS 95 far 0 57 0 - 8.5-10.1 HB2 PRO 81 - HB3 LYS 86 far 0 28 0 - 8.9-10.5 QE MET 11 - HB3 LYS 86 far 0 65 0 - 9.2-37.7 HB ILE 129 - HB3 LYS 95 far 0 63 0 - 9.3-11.6 HB2 GLN 134 - HB3 PRO 81 far 0 83 0 - 9.6-11.3 HG2 ARG 90 - HB2 LYS 95 far 0 85 0 - 10.0-11.4 HB3 PRO 117 - HB3 LYS 95 far 0 72 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 1844 from aliabs.peaks (2.06, 1.95, 32.16 ppm; 3.83 A): 4 out of 16 assignments used, quality = 1.00: * HG3 PRO 58 + HB2 PRO 58 OK 100 100 100 100 2.7-2.7 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 HB3 GLN 82 + HB3 PRO 81 OK 24 51 100 47 3.6-4.2 4.5/11248=28, ~9285=14...(4) HB VAL 57 - HB2 PRO 58 far 0 68 0 - 5.2-5.5 HG3 GLU 91 - HB2 LYS 95 far 0 48 0 - 5.6-8.6 HB3 GLN 82 - HB3 LYS 86 far 0 37 0 - 6.4-8.0 HB2 LEU 62 - HB2 PRO 58 far 0 99 0 - 6.8-8.2 HB2 GLU 128 - HB2 LYS 95 far 0 71 0 - 6.8-7.5 HG3 PRO 81 - HB3 LYS 86 far 0 56 0 - 7.1-10.0 HG3 GLU 91 - HB3 LYS 95 far 0 54 0 - 7.2-10.0 HB2 GLU 128 - HB3 LYS 95 far 0 78 0 - 7.5-8.6 HB3 LYS 39 - HB3 PRO 81 far 0 73 0 - 7.6-9.7 HG3 GLU 91 - HB3 LYS 86 far 0 34 0 - 8.7-11.1 HB2 PRO 81 - HB3 LYS 86 far 0 45 0 - 8.9-10.5 HB2 GLU 102 - HB3 LYS 95 far 0 76 0 - 9.5-11.2 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 1 assignment used, quality = 1.00: * HD2 PRO 58 + HB2 PRO 58 OK 100 100 100 100 4.0-4.0 3.0=100 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 11 assignments used, quality = 1.00: * HD3 PRO 58 + HB2 PRO 58 OK 100 100 100 100 3.9-3.9 3.0=100 HB2 SER 9 - HB3 LYS 95 far 0 91 0 - 6.3-44.9 HB2 SER 9 - HB2 LYS 95 far 0 83 0 - 6.8-44.1 HA ARG 90 - HB2 LYS 95 far 0 63 0 - 7.1-8.4 HB3 SER 9 - HB3 LYS 95 far 0 72 0 - 7.3-43.1 HA LEU 62 - HB2 PRO 58 far 0 90 0 - 7.6-7.9 HA ARG 90 - HB3 LYS 86 far 0 46 0 - 7.8-8.8 HB3 SER 9 - HB2 LYS 95 far 0 65 0 - 8.1-42.4 HA VAL 118 - HB3 LYS 95 far 0 83 0 - 8.2-9.0 HA ARG 90 - HB3 LYS 95 far 0 70 0 - 8.7-9.5 HA VAL 118 - HB2 LYS 95 far 0 76 0 - 9.0-10.6 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 2.3-2.3 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 1 assignment used, quality = 1.00: * HB2 PRO 58 + HB3 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 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 4 assignments used, quality = 1.00: * HG2 PRO 58 + HB3 PRO 58 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 56 - HB3 PRO 58 far 0 68 0 - 8.9-9.5 HB VAL 63 - HB3 PRO 58 far 0 100 0 - 9.0-9.4 HG2 PRO 56 - HB3 PRO 58 far 0 85 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 1852 from aliabs.peaks (2.06, 2.41, 32.16 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: * HG3 PRO 58 + HB3 PRO 58 OK 100 100 100 100 2.3-2.3 2.3=100 HB VAL 57 - HB3 PRO 58 far 0 68 0 - 5.3-5.6 HB2 LEU 62 - HB3 PRO 58 far 0 99 0 - 8.0-9.4 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 3.9-3.9 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 3.0-3.0 3.0=100 HA LEU 62 - HB3 PRO 58 far 0 90 0 - 8.8-9.1 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 3.9-3.9 3.8=100 HA PRO 58 - HG2 PRO 56 far 0 29 0 - 8.7-9.0 HA ASP 64 - HG2 PRO 58 far 0 100 0 - 9.2-9.7 HB THR 54 - HG3 PRO 56 far 0 33 0 - 9.3-10.3 HB THR 54 - HG2 PRO 56 far 0 27 0 - 9.4-10.4 HA PRO 58 - HG3 PRO 56 far 0 36 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 1857 from aliabs.peaks (1.95, 2.03, 27.78 ppm; 4.74 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 58 + HG2 PRO 58 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 ARG 90 + HG2 ARG 90 OK 93 93 100 100 3.0-3.0 2.9=100 HB3 LYS 86 - HG2 ARG 90 far 5 90 5 - 5.1-7.3 HG2 PRO 113 - HG3 PRO 56 far 0 28 0 - 7.3-9.5 HG2 PRO 113 - HG2 PRO 56 far 0 23 0 - 8.2-10.4 HB2 LYS 95 - HG2 ARG 90 far 0 86 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 1858 from aliabs.peaks (2.41, 2.03, 27.78 ppm; 3.71 A): 1 out of 6 assignments used, quality = 1.00: * HB3 PRO 58 + HG2 PRO 58 OK 100 100 100 100 3.0-3.0 2.3=100 HG3 GLN 61 - HG2 PRO 58 far 5 100 5 - 4.1-4.6 HG3 GLU 128 - HG2 ARG 90 far 0 85 0 - 9.0-10.3 HB3 PRO 58 - HG2 PRO 56 far 0 29 0 - 9.2-9.7 HG3 GLN 61 - HG2 PRO 56 far 0 29 0 - 9.3-10.9 HG3 GLU 97 - HG2 ARG 90 far 0 90 0 - 9.5-10.7 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 9 assignments used, quality = 1.00: * HG3 PRO 58 + HG2 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 57 - HG2 PRO 58 far 0 68 0 - 3.6-4.1 HB3 GLU 55 - HG3 PRO 56 far 0 23 0 - 5.2-6.3 HG3 GLU 91 - HG2 ARG 90 far 0 54 0 - 6.4-8.2 HB2 LEU 62 - HG2 PRO 58 far 0 99 0 - 6.5-7.8 HG3 PRO 113 - HG3 PRO 56 far 0 35 0 - 8.6-10.8 HG3 PRO 58 - HG2 PRO 56 far 0 29 0 - 8.9-9.3 HG3 PRO 113 - HG2 PRO 56 far 0 28 0 - 9.3-11.6 HB3 GLU 55 - HG2 PRO 58 far 0 78 0 - 9.8-11.5 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 2.3-2.3 2.3=100 HD2 PRO 58 - HG2 PRO 56 far 0 29 0 - 7.1-7.4 HD2 PRO 58 - HG3 PRO 56 far 0 36 0 - 8.6-8.9 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 6 assignments used, quality = 1.00: * HD3 PRO 58 + HG2 PRO 58 OK 100 100 100 100 3.0-3.0 2.3=100 HA ARG 90 + HG2 ARG 90 OK 70 70 100 100 2.6-3.1 3.8=100 HA LEU 62 - HG2 PRO 58 far 0 90 0 - 6.5-6.7 HD3 PRO 58 - HG2 PRO 56 far 0 29 0 - 6.6-7.1 HD3 PRO 58 - HG3 PRO 56 far 0 36 0 - 8.0-8.5 HB3 SER 9 - HG2 ARG 90 far 0 72 0 - 10.0-45.6 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 3 assignments used, quality = 1.00: * HA PRO 58 + HG3 PRO 58 OK 100 100 100 100 4.0-4.0 3.8=100 HB THR 54 - HB2 GLN 127 far 0 70 0 - 8.4-11.7 HA PRO 58 - HG3 PRO 113 far 0 76 0 - 8.7-10.6 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 3 assignments used, quality = 1.00: * HB2 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.7-2.7 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 far 0 67 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. Peak 1866 from aliabs.peaks (2.41, 2.06, 27.78 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 GLN 61 - HG3 PRO 58 far 0 100 0 - 5.6-6.1 HG3 GLU 128 - HB2 GLN 127 far 0 67 0 - 6.2-7.6 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 9 assignments used, quality = 1.00: * HG2 PRO 58 + HG3 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PRO 56 - HG3 PRO 113 far 0 45 0 - 6.4-8.6 HB ILE 129 - HB2 GLN 127 far 0 48 0 - 7.3-7.8 QE MET 11 - HB2 GLN 127 far 0 75 0 - 7.5-44.5 HG3 PRO 56 - HG3 PRO 113 far 0 63 0 - 8.6-10.8 HG2 PRO 56 - HG3 PRO 58 far 0 85 0 - 8.9-9.3 HB VAL 63 - HG3 PRO 58 far 0 100 0 - 8.9-9.4 HG2 PRO 56 - HG3 PRO 113 far 0 58 0 - 9.3-11.6 HB3 PRO 56 - HG3 PRO 58 far 0 68 0 - 9.4-9.9 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 2 assignments used, quality = 1.00: * HD2 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.7-2.7 2.3=100 HD3 PRO 56 - HG3 PRO 113 far 0 41 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 1870 from aliabs.peaks (3.82, 2.06, 27.78 ppm; 4.58 A): 2 out of 6 assignments used, quality = 1.00: * HD3 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 SER 50 + HB2 GLN 127 OK 54 74 75 98 2.8-5.6 4037/3.0=56...(18) HB2 SER 130 - HB2 GLN 127 far 0 76 0 - 5.3-7.5 HA LEU 62 - HG3 PRO 58 far 0 90 0 - 8.2-8.5 HB2 SER 9 - HB2 GLN 127 far 0 73 0 - 8.8-55.2 HB3 SER 9 - HB2 GLN 127 far 0 56 0 - 9.5-53.5 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 3 assignments used, quality = 1.00: * HB2 ASN 59 + HA ASN 59 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 CYS 79 - HA LYS 24 far 0 88 0 - 6.6-21.7 HB2 ASP 71 - HA LYS 24 far 0 91 0 - 9.7-23.4 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 2 assignments used, quality = 1.00: * HB3 ASN 59 + HA ASN 59 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 ASN 116 - HA ASN 59 far 0 73 0 - 5.6-6.8 Violated in 0 structures by 0.00 A. Peak 1880 from aliabs.peaks (2.06, 4.33, 56.25 ppm; 4.18 A increased from 3.52 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 62 + HA ASN 59 OK 100 100 100 100 3.1-4.2 3.2/9388=66...(24) HB2 GLN 127 - HA ASP 47 far 0 56 0 - 5.4-7.5 HB VAL 118 - HA ASN 59 far 0 99 0 - 6.2-7.7 HB3 GLN 27 - HA LYS 24 far 0 90 0 - 6.9-13.5 HG3 PRO 58 - HA ASN 59 far 0 99 0 - 7.0-7.1 HB3 GLU 44 - HA ASP 47 far 0 50 0 - 7.9-8.2 HG3 GLN 134 - HA ASP 47 far 0 45 0 - 8.6-10.2 HG3 PRO 113 - HA ASN 59 far 0 100 0 - 9.3-11.7 HB2 GLU 128 - HA ASP 47 far 0 39 0 - 9.8-10.7 Violated in 2 structures by 0.00 A. Peak 1881 from aliabs.peaks (1.14, 4.33, 56.25 ppm; 5.94 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 62 + HA ASN 59 OK 100 100 100 100 2.5-4.9 1980=100, 1.8/1880=100...(24) QG2 THR 115 + HA ASN 59 OK 44 92 90 53 5.4-6.6 10196/9359=28...(3) HG12 ILE 32 - HA LYS 24 far 0 85 0 - 7.3-14.3 QG2 THR 18 - HA LYS 24 far 0 66 0 - 8.0-11.8 QG2 VAL 132 - HA ASP 47 far 0 60 0 - 9.7-10.6 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 2.3-2.6 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 0 73 0 - 4.6-5.8 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 2.5-3.0 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): 2 out of 7 assignments used, quality = 1.00: HB3 SER 60 + HA SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 * HB2 SER 60 + HA SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 107 - HA SER 60 lone 1 97 45 1 2.6-6.7 HA ALA 41 - HA ILE 37 far 0 69 0 - 5.7-6.0 HA3 GLY 75 - HA ILE 37 far 0 60 0 - 6.7-7.6 HA2 GLY 111 - HA SER 60 far 0 76 0 - 7.3-8.9 HB2 SER 33 - HA ILE 37 far 0 71 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 1899 from aliabs.peaks (3.91, 4.01, 60.84 ppm; 3.81 A): 2 out of 7 assignments used, quality = 1.00: * HB3 SER 60 + HA SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 60 + HA SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 107 - HA SER 60 lone 1 97 45 1 2.6-6.7 HA ALA 41 - HA ILE 37 far 0 69 0 - 5.7-6.0 HA3 GLY 75 - HA ILE 37 far 0 60 0 - 6.7-7.6 HA2 GLY 111 - HA SER 60 far 0 76 0 - 7.3-8.9 HB2 SER 33 - HA ILE 37 far 0 71 0 - 7.4-8.1 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 3 assignments used, quality = 1.00: * HB VAL 63 + HA SER 60 OK 100 100 100 100 2.8-3.3 2020=100, 2.1/10978=61...(11) HG2 PRO 58 - HA SER 60 far 0 100 0 - 5.6-5.9 HB3 GLU 40 - HA ILE 37 far 0 71 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 1904 from aliabs.peaks (4.01, 3.91, 61.50 ppm; 4.44 A): 2 out of 4 assignments used, quality = 1.00: HA SER 60 + HB3 SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 * HA SER 60 + HB2 SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 103 - HB2 SER 60 far 0 100 0 - 8.5-10.5 HA LEU 103 - HB3 SER 60 far 0 100 0 - 8.5-10.6 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 4 assignments used, quality = 1.00: * HA SER 60 + HB3 SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 60 + HB2 SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 103 - HB2 SER 60 far 0 100 0 - 8.5-10.5 HA LEU 103 - HB3 SER 60 far 0 100 0 - 8.5-10.6 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 3 assignments used, quality = 1.00: * HB2 GLN 61 + HA GLN 61 OK 100 100 100 100 2.3-2.4 3.0=100 HB3 GLN 61 + HA GLN 61 OK 100 100 100 100 2.9-3.0 3.0=100 HB VAL 57 - HA GLN 61 far 0 99 0 - 5.3-5.7 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 3 assignments used, quality = 1.00: * HB3 GLN 61 + HA GLN 61 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 GLN 61 + HA GLN 61 OK 100 100 100 100 2.3-2.4 3.0=100 HB VAL 57 - HA GLN 61 far 0 97 0 - 5.3-5.7 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 1 assignment used, quality = 1.00: * HG2 GLN 61 + HA GLN 61 OK 100 100 100 100 2.9-4.0 3.8=100 Violated in 0 structures by 0.00 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 2.7-3.8 3.8=100 HB3 PRO 58 - HA GLN 61 far 0 100 0 - 6.4-6.8 HG2 GLN 104 - HA GLN 61 far 0 65 0 - 9.5-11.1 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 1 assignment used, quality = 1.00: * HB2 ASP 64 + HA GLN 61 OK 100 100 100 100 3.3-4.3 2047=100, 1.8/2053=85...(5) 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 1 assignment used, quality = 1.00: * HB3 ASP 64 + HA GLN 61 OK 100 100 100 100 2.9-3.8 2053=100, 1.8/2047=82...(5) Violated in 0 structures by 0.00 A. Peak 1926 from aliabs.peaks (4.28, 2.10, 28.56 ppm; 4.11 A): 2 out of 9 assignments used, quality = 1.00: * HA GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.3-2.4 3.0=100 HA GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.9-3.0 3.0=100 HA ALA 15 - HB3 GLN 82 far 0 74 0 - 5.7-47.0 HA ALA 110 - HB3 GLN 61 far 0 99 0 - 6.4-9.1 HA ALA 110 - HB2 GLN 61 far 0 100 0 - 7.1-9.3 HA ASP 131 - HB2 GLU 128 far 0 34 0 - 7.8-8.3 HA ALA 12 - HB3 GLN 82 far 0 72 0 - 7.8-46.0 HA ALA 16 - HB3 GLN 82 far 0 73 0 - 9.9-45.8 HA ALA 109 - HB3 GLN 61 far 0 100 0 - 9.9-12.3 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 6 assignments used, quality = 1.00: * HG2 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.2-2.6 3.0=100 HG2 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 101 - HB2 GLU 102 far 0 55 0 - 4.9-6.6 HB VAL 105 - HB2 GLU 102 far 0 61 0 - 6.2-7.4 HB VAL 132 - HB2 GLU 128 far 0 69 0 - 7.1-8.2 HB VAL 132 - HB3 GLN 82 far 0 74 0 - 7.7-10.4 Violated in 0 structures by 0.00 A. Peak 1930 from aliabs.peaks (2.41, 2.10, 28.56 ppm; 3.79 A): 6 out of 10 assignments used, quality = 1.00: * HG3 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.7-3.0 3.0=100 HG3 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HG3 GLU 128 + HB2 GLU 128 OK 58 58 100 100 2.3-3.0 3.0=100 HG2 GLN 82 + HB3 GLN 82 OK 47 47 100 100 2.6-3.0 2.9=100 HG3 GLN 82 + HB3 GLN 82 OK 39 39 100 100 2.6-3.0 2.9=100 HG2 GLN 101 + HB2 GLU 102 OK 25 53 75 63 3.2-6.2 7450/3.8=33...(8) HB3 PRO 58 - HB3 GLN 61 far 0 100 0 - 4.6-5.0 HB3 PRO 58 - HB2 GLN 61 far 0 100 0 - 4.9-5.7 HG2 GLN 104 - HB2 GLU 102 far 0 40 0 - 6.0-7.4 HG3 GLU 97 - HB2 GLU 102 far 0 71 0 - 9.1-11.0 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 8 assignments used, quality = 1.00: * HA GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.9-3.0 3.0=100 HA GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.3-2.4 3.0=100 HA ALA 15 - HB3 GLN 82 far 0 67 0 - 5.7-47.0 HA ALA 110 - HB3 GLN 61 far 0 100 0 - 6.4-9.1 HA ALA 110 - HB2 GLN 61 far 0 99 0 - 7.1-9.3 HA ALA 12 - HB3 GLN 82 far 0 65 0 - 7.8-46.0 HA ALA 16 - HB3 GLN 82 far 0 67 0 - 9.9-45.8 HA ALA 109 - HB3 GLN 61 far 0 100 0 - 9.9-12.3 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 5 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 2.2-2.6 3.0=100 HB3 GLN 101 - HB2 GLU 102 far 0 45 0 - 4.9-6.6 HB VAL 105 - HB2 GLU 102 far 0 50 0 - 6.2-7.4 HB VAL 132 - HB3 GLN 82 far 0 67 0 - 7.7-10.4 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 9 assignments used, quality = 1.00: * HG3 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HG3 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.7-3.0 3.0=100 HG2 GLN 82 + HB3 GLN 82 OK 42 42 100 100 2.6-3.0 2.9=100 HG3 GLN 82 + HB3 GLN 82 OK 35 35 100 100 2.6-3.0 2.9=100 HG2 GLN 101 + HB2 GLU 102 OK 20 43 75 62 3.2-6.2 7450/3.8=33...(8) HB3 PRO 58 - HB3 GLN 61 far 0 100 0 - 4.6-5.0 HB3 PRO 58 - HB2 GLN 61 far 0 100 0 - 4.9-5.7 HG2 GLN 104 - HB2 GLU 102 far 0 33 0 - 6.0-7.4 HG3 GLU 97 - HB2 GLU 102 far 0 59 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 1944 from aliabs.peaks (4.28, 2.28, 33.67 ppm; 3.98 A increased from 3.54 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.9-4.0 3.8=100 HA ALA 110 - HG2 GLN 61 far 0 100 0 - 8.7-11.2 Violated in 0 structures by 0.00 A. Peak 1945 from aliabs.peaks (2.10, 2.28, 33.67 ppm; 3.22 A): 3 out of 3 assignments used, quality = 1.00: * HB2 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.2-2.6 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 92 99 95 99 2.5-4.1 2.1/9377=50...(24) 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 3 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 2.2-2.6 3.0=100 HB VAL 57 + HG2 GLN 61 OK 90 97 95 99 2.5-4.1 2.1/9377=50...(24) 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 2 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 - 6.3-7.6 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 2 assignments used, quality = 0.82: * HA GLN 61 + HG3 GLN 61 OK 82 100 100 82 2.7-3.8 3.8=72, 2.8/1952=20, 3.6/1960=17 HA ALA 110 - HG3 GLN 61 far 0 100 0 - 8.8-11.5 Violated in 1 structures by 0.02 A. Peak 1954 from aliabs.peaks (2.10, 2.41, 33.67 ppm; 3.28 A): 3 out of 3 assignments used, quality = 1.00: * HB2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HB VAL 57 + HG3 GLN 61 OK 83 99 85 99 2.5-4.4 2.1/10937=50...(24) 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 3 assignments used, quality = 1.00: * HB3 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HB2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.7-3.0 3.0=100 HB VAL 57 + HG3 GLN 61 OK 82 97 85 99 2.5-4.4 2.1/10937=50...(24) 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 1 assignment used, quality = 1.00: * HG2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 1.8-1.8 1.8=100 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): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 62 + HA LEU 62 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 GLN 127 - HA LEU 123 poor 19 55 35 - 5.3-6.3 HB2 GLU 128 - HA LEU 123 far 0 38 0 - 7.3-7.7 HB2 LEU 62 - HA LEU 123 far 0 59 0 - 7.3-9.3 HG3 PRO 58 - HA LEU 62 far 0 99 0 - 8.2-8.5 HB3 GLU 55 - HA LEU 62 far 0 90 0 - 8.6-11.2 HB VAL 118 - HA LEU 62 far 0 99 0 - 8.9-10.1 QE MET 11 - HA LEU 123 far 0 27 0 - 9.0-42.0 HB VAL 118 - HA LEU 123 far 0 56 0 - 9.9-10.7 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 4 assignments used, quality = 1.00: * HB3 LEU 62 + HA LEU 62 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LEU 62 - HA LEU 123 far 0 59 0 - 6.9-9.8 QG2 THR 115 - HA LEU 62 far 0 92 0 - 9.7-10.9 QG2 VAL 132 - HA LEU 123 far 0 58 0 - 10.0-10.6 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 8 assignments used, quality = 1.00: * HG LEU 62 + HA LEU 62 OK 100 100 100 100 2.9-3.2 3.7=100 HB2 LEU 123 + HA LEU 123 OK 58 58 100 100 2.9-3.0 3.0=100 HG LEU 119 - HA LEU 62 far 0 76 0 - 7.5-8.2 HG LEU 62 - HA LEU 123 far 0 59 0 - 8.4-9.5 HB2 LEU 69 - HA LEU 123 far 0 58 0 - 8.5-9.3 HB2 LEU 123 - HA LEU 62 far 0 100 0 - 8.5-10.2 HG LEU 119 - HA LEU 123 far 0 38 0 - 8.8-9.7 HB2 LEU 69 - HA LEU 62 far 0 100 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 1966 from aliabs.peaks (0.68, 3.83, 57.95 ppm; 3.85 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 62 + HA LEU 62 OK 100 100 100 100 1.9-2.1 1998=100, 2.1/1967=70...(15) QD2 LEU 100 - HA LEU 62 far 0 100 0 - 4.8-5.6 QD2 LEU 62 - HA LEU 123 far 0 59 0 - 5.3-6.1 QD1 ILE 129 - HA LEU 123 far 0 33 0 - 6.5-7.4 QD2 LEU 100 - HA LEU 123 far 0 59 0 - 6.9-8.7 Violated in 0 structures by 0.00 A. Peak 1967 from aliabs.peaks (0.91, 3.83, 57.95 ppm; 3.72 A): 2 out of 18 assignments used, quality = 1.00: * QD1 LEU 62 + HA LEU 62 OK 100 100 100 100 3.7-3.9 2.1/1998=81, 4.1=75...(11) QD1 LEU 123 + HA LEU 123 OK 52 52 100 100 1.9-2.3 4.0=78, 10512/2.9=47...(23) QG2 VAL 63 - HA LEU 62 far 0 100 0 - 4.8-5.0 QD1 LEU 49 - HA LEU 123 far 0 59 0 - 4.9-5.8 QG1 VAL 57 - HA LEU 62 far 0 60 0 - 5.2-5.8 QD1 LEU 49 - HA LEU 62 far 0 100 0 - 5.3-5.8 QD1 LEU 62 - HA LEU 123 far 0 59 0 - 5.5-6.7 QD2 LEU 48 - HA LEU 62 far 0 87 0 - 6.2-7.9 QD1 LEU 48 - HA LEU 62 far 0 100 0 - 6.7-7.3 QG1 VAL 118 - HA LEU 62 far 0 83 0 - 6.8-7.9 QG1 VAL 118 - HA LEU 123 far 0 42 0 - 7.3-8.1 QD1 LEU 123 - HA LEU 62 far 0 96 0 - 7.7-8.8 QD1 LEU 119 - HA LEU 62 far 0 71 0 - 7.8-8.2 QD1 LEU 119 - HA LEU 123 far 0 35 0 - 8.4-9.1 QD2 LEU 48 - HA LEU 123 far 0 45 0 - 9.1-9.8 QD1 LEU 48 - HA LEU 123 far 0 58 0 - 9.1-10.0 QG2 VAL 63 - HA LEU 123 far 0 58 0 - 9.3-10.3 QG1 VAL 57 - HA LEU 123 far 0 28 0 - 9.9-10.8 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 6 assignments used, quality = 1.00: * HB THR 65 + HA LEU 62 OK 100 100 100 100 3.0-3.4 2067=73, 2.1/10993=70...(9) HA LEU 122 + HA LEU 123 OK 32 35 100 94 4.8-4.9 4.9=85, ~7744=28...(10) HA LEU 96 - HA LEU 123 far 0 53 0 - 6.4-7.7 HB THR 65 - HA LEU 123 far 0 59 0 - 7.6-8.6 HA GLN 104 - HA LEU 62 far 0 73 0 - 8.6-9.5 HA LEU 122 - HA LEU 62 far 0 71 0 - 8.8-10.2 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 3.1-4.2 1880=100, 9388/3.2=92...(24) Violated in 0 structures by 0.00 A. Peak 1973 from aliabs.peaks (3.83, 2.06, 42.10 ppm; 5.51 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.6-3.0 3.0=100 HA LEU 123 - HB2 LEU 62 far 0 90 0 - 7.3-9.3 HD3 PRO 58 - HB2 LEU 62 far 0 90 0 - 8.1-9.3 HA VAL 118 - HB2 LEU 62 far 0 57 0 - 8.1-9.5 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 2 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 - 7.6-8.6 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 3 assignments used, quality = 1.00: * HG LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 119 + HB2 LEU 62 OK 71 76 95 99 4.9-5.7 2.9/10951=59, ~10992=46...(17) HB2 LEU 123 - HB2 LEU 62 far 0 100 0 - 7.1-9.8 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 66 100 100 66 4.5-5.3 6809/6806=29...(6) Violated in 0 structures by 0.00 A. Peak 1978 from aliabs.peaks (0.91, 2.06, 42.10 ppm; 4.25 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.2-2.4 3.2=100 QG2 VAL 63 + HB2 LEU 62 OK 97 100 100 97 3.1-4.1 11012/1.8=72...(13) QG1 VAL 118 - HB2 LEU 62 far 0 83 0 - 4.9-6.2 QD1 LEU 119 - HB2 LEU 62 far 0 71 0 - 5.7-6.3 QG1 VAL 57 - HB2 LEU 62 far 0 60 0 - 6.3-7.0 QD1 LEU 49 - HB2 LEU 62 far 0 100 0 - 6.3-7.7 QD1 LEU 123 - HB2 LEU 62 far 0 96 0 - 8.1-9.4 QG2 VAL 112 - HB2 LEU 62 far 0 97 0 - 8.5-10.0 QD2 LEU 48 - HB2 LEU 62 far 0 87 0 - 8.7-10.3 QD1 LEU 48 - HB2 LEU 62 far 0 100 0 - 8.7-9.9 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 2.5-4.9 1880/1.8=100...(24) 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 2.5-3.0 3.0=100 HA LEU 123 - HB3 LEU 62 far 0 90 0 - 6.9-9.8 HD3 PRO 58 - HB3 LEU 62 far 0 90 0 - 7.7-9.6 HA VAL 118 - HB3 LEU 62 far 0 57 0 - 7.7-9.4 HB2 SER 50 - HB3 LEU 62 far 0 97 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 1983 from aliabs.peaks (2.06, 1.14, 42.10 ppm; 4.63 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 62 + HB3 LEU 62 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 118 - HB3 LEU 62 far 0 99 0 - 6.4-7.6 HG3 PRO 58 - HB3 LEU 62 far 0 99 0 - 7.8-9.7 HB3 GLU 55 - HB3 LEU 62 far 0 90 0 - 9.3-12.1 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 4 assignments used, quality = 1.00: * HG LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 119 + HB3 LEU 62 OK 34 76 45 99 4.9-6.0 ~10992=46, ~10951=44...(17) HB2 LEU 123 - HB3 LEU 62 far 0 100 0 - 7.0-10.2 HB2 LEU 69 - HB3 LEU 62 far 0 100 0 - 10.0-12.5 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 2.3-3.2 3.1=100 QD2 LEU 100 + HB3 LEU 62 OK 51 100 75 68 4.1-5.6 1977/1.8=29...(4) Violated in 0 structures by 0.00 A. Peak 1987 from aliabs.peaks (0.91, 1.14, 42.10 ppm; 4.27 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.2-2.4 3.2=100 QG2 VAL 63 + HB3 LEU 62 OK 99 100 100 99 3.4-4.3 11012=89, 6810/4.5=51...(9) QG1 VAL 118 - HB3 LEU 62 far 4 83 5 - 4.7-6.1 QD1 LEU 119 - HB3 LEU 62 far 0 71 0 - 5.6-6.6 QD1 LEU 49 - HB3 LEU 62 far 0 100 0 - 5.9-7.7 QG1 VAL 57 - HB3 LEU 62 far 0 60 0 - 6.1-7.2 QD1 LEU 123 - HB3 LEU 62 far 0 96 0 - 7.1-9.7 QD2 LEU 48 - HB3 LEU 62 far 0 87 0 - 7.9-10.2 QG2 VAL 112 - HB3 LEU 62 far 0 97 0 - 8.0-10.6 QD1 LEU 48 - HB3 LEU 62 far 0 100 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 1990 from aliabs.peaks (3.83, 1.64, 26.16 ppm; 5.05 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 62 + HG LEU 62 OK 100 100 100 100 2.9-3.2 3.7=100 HD3 PRO 58 - HG LEU 62 far 0 90 0 - 6.4-6.9 HA LEU 123 - HG LEU 62 far 0 90 0 - 8.4-9.5 HA VAL 118 - HG LEU 62 far 0 57 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 1991 from aliabs.peaks (2.06, 1.64, 26.16 ppm; 4.86 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 62 + HG LEU 62 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 PRO 58 - HG LEU 62 far 0 99 0 - 7.0-7.4 HB3 GLU 55 - HG LEU 62 far 0 90 0 - 7.4-9.9 HB VAL 118 - HG LEU 62 far 0 99 0 - 7.7-9.2 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 2 assignments used, quality = 1.00: * HB3 LEU 62 + HG LEU 62 OK 100 100 100 100 2.4-3.0 3.0=100 QG2 THR 115 - HG LEU 62 far 0 92 0 - 7.6-8.6 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): 1 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 far 0 100 0 - 6.4-7.3 Violated in 0 structures by 0.00 A. Peak 1995 from aliabs.peaks (0.91, 1.64, 26.16 ppm; 3.58 A): 1 out of 10 assignments used, quality = 1.00: * QD1 LEU 62 + HG LEU 62 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 57 - HG LEU 62 far 0 60 0 - 4.4-5.0 QG2 VAL 63 - HG LEU 62 far 0 100 0 - 5.1-5.7 QD1 LEU 119 - HG LEU 62 far 0 71 0 - 5.5-6.3 QG1 VAL 118 - HG LEU 62 far 0 83 0 - 6.5-7.8 QD1 LEU 49 - HG LEU 62 far 0 100 0 - 7.5-7.9 QD2 LEU 48 - HG LEU 62 far 0 87 0 - 7.7-9.6 QG2 VAL 112 - HG LEU 62 far 0 97 0 - 8.0-9.0 QD1 LEU 123 - HG LEU 62 far 0 96 0 - 8.2-9.0 QD1 LEU 48 - HG LEU 62 far 0 100 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 1998 from aliabs.peaks (3.83, 0.68, 23.19 ppm; 3.42 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 62 + QD2 LEU 62 OK 100 100 100 100 1.9-2.1 1966=90, 1967/2.1=56...(15) HA LEU 62 - QD2 LEU 100 far 0 83 0 - 4.8-5.6 HA LEU 123 - QD2 LEU 62 far 0 90 0 - 5.3-6.1 HD3 PRO 58 - QD2 LEU 62 far 0 90 0 - 6.5-7.0 HA VAL 118 - QD2 LEU 100 far 0 41 0 - 6.8-7.9 HA LEU 123 - QD2 LEU 100 far 0 69 0 - 6.9-8.7 HB2 SER 50 - QD2 LEU 62 far 0 97 0 - 7.0-7.7 HA VAL 118 - QD2 LEU 62 far 0 57 0 - 8.1-9.4 HB2 SER 50 - QD2 LEU 100 far 0 76 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 1999 from aliabs.peaks (2.06, 0.68, 23.19 ppm; 3.60 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.4-3.2 3.1=100 HB2 LEU 62 - QD2 LEU 100 far 0 83 0 - 4.5-5.3 HB3 GLU 55 - QD2 LEU 62 far 0 90 0 - 5.2-7.6 HB VAL 118 - QD2 LEU 100 far 0 79 0 - 6.1-7.2 HB2 GLU 102 - QD2 LEU 100 far 0 54 0 - 6.4-8.3 HG3 PRO 58 - QD2 LEU 62 far 0 99 0 - 7.1-7.7 HB VAL 118 - QD2 LEU 62 far 0 99 0 - 7.3-8.5 HB2 GLN 127 - QD2 LEU 62 far 0 98 0 - 9.1-10.5 HG3 PRO 113 - QD2 LEU 62 far 0 100 0 - 9.7-11.8 HG2 PRO 117 - QD2 LEU 100 far 0 81 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 2000 from aliabs.peaks (1.14, 0.68, 23.19 ppm; 3.76 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.3-3.2 3.1=100 HB3 LEU 62 - QD2 LEU 100 poor 17 83 35 57 4.1-5.6 1986=20, 11012/2003=20...(4) QG2 THR 115 - QD2 LEU 62 far 0 92 0 - 7.7-8.4 QG2 THR 115 - QD2 LEU 100 far 0 71 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 2001 from aliabs.peaks (1.64, 0.68, 23.19 ppm; 3.40 A): 1 out of 9 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 far 0 100 0 - 5.4-6.8 HG LEU 119 - QD2 LEU 62 far 0 76 0 - 5.5-6.1 HB2 LEU 69 - QD2 LEU 100 far 0 82 0 - 6.0-6.5 HG LEU 62 - QD2 LEU 100 far 0 83 0 - 6.4-7.3 HG LEU 119 - QD2 LEU 100 far 0 56 0 - 6.6-7.9 HB2 LEU 98 - QD2 LEU 100 far 0 83 0 - 7.7-8.5 HB2 LEU 123 - QD2 LEU 100 far 0 82 0 - 8.0-9.8 HB2 LEU 69 - QD2 LEU 62 far 0 100 0 - 8.9-9.4 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): 2 out of 19 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 69 82 90 93 2.6-3.4 2.1/10974=38...(24) QG1 VAL 57 - QD2 LEU 62 far 0 60 0 - 3.6-4.3 QG1 VAL 118 - QD2 LEU 100 far 0 62 0 - 3.8-4.7 QD1 LEU 49 - QD2 LEU 100 far 0 83 0 - 4.5-5.4 QD1 LEU 49 - QD2 LEU 62 far 0 100 0 - 4.7-5.2 QD1 LEU 62 - QD2 LEU 100 far 0 83 0 - 5.1-5.9 QG2 VAL 63 - QD2 LEU 62 far 0 100 0 - 5.2-5.4 QD2 LEU 48 - QD2 LEU 62 far 0 87 0 - 5.3-6.6 QD1 LEU 123 - QD2 LEU 62 far 0 96 0 - 5.4-6.0 QD1 LEU 119 - QD2 LEU 62 far 0 71 0 - 5.7-5.9 QG1 VAL 118 - QD2 LEU 62 far 0 83 0 - 5.8-6.9 QD1 LEU 48 - QD2 LEU 62 far 0 100 0 - 6.1-6.7 QD1 LEU 119 - QD2 LEU 100 far 0 52 0 - 7.2-8.3 QD1 LEU 123 - QD2 LEU 100 far 0 75 0 - 7.5-9.0 QD1 LEU 48 - QD2 LEU 100 far 0 82 0 - 7.6-8.4 QD2 LEU 48 - QD2 LEU 100 far 0 66 0 - 8.3-9.5 QG2 VAL 112 - QD2 LEU 62 far 0 97 0 - 8.3-9.0 QG1 VAL 57 - QD2 LEU 100 far 0 43 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 2006 from aliabs.peaks (3.83, 0.91, 26.02 ppm; 4.29 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 62 + QD1 LEU 62 OK 100 100 100 100 3.7-3.9 4.1=100 HA LEU 123 - QD1 LEU 62 far 0 90 0 - 5.5-6.7 HA VAL 118 - QD1 LEU 62 far 0 57 0 - 6.1-7.4 HD3 PRO 58 - QD1 LEU 62 far 0 90 0 - 6.7-7.4 HB2 SER 50 - QD1 LEU 62 far 0 97 0 - 7.9-8.7 HD2 PRO 117 - QD1 LEU 62 far 0 81 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 2007 from aliabs.peaks (2.06, 0.91, 26.02 ppm; 3.66 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.2-2.4 3.2=100 HB VAL 118 - QD1 LEU 62 far 0 99 0 - 4.9-6.2 HB3 GLU 55 - QD1 LEU 62 far 0 90 0 - 6.5-8.8 HG3 PRO 58 - QD1 LEU 62 far 0 99 0 - 7.3-8.0 HG3 PRO 113 - QD1 LEU 62 far 0 100 0 - 7.9-10.0 HG2 PRO 117 - QD1 LEU 62 far 0 99 0 - 8.3-9.4 HB2 GLU 102 - QD1 LEU 62 far 0 73 0 - 8.9-11.2 HG3 PRO 117 - QD1 LEU 62 far 0 99 0 - 9.4-10.3 HB2 GLN 127 - QD1 LEU 62 far 0 98 0 - 9.9-11.2 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 2 assignments used, quality = 1.00: * HB3 LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.2-2.4 3.2=100 QG2 THR 115 - QD1 LEU 62 far 0 92 0 - 5.6-6.3 Violated in 0 structures by 0.00 A. Peak 2009 from aliabs.peaks (1.64, 0.91, 26.02 ppm; 3.30 A): 2 out of 3 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 66 76 100 87 2.8-3.6 3.7/10954=29, ~10992=25...(16) HB2 LEU 123 - QD1 LEU 62 far 0 100 0 - 4.7-6.5 Violated in 0 structures by 0.00 A. Peak 2010 from aliabs.peaks (0.68, 0.91, 26.02 ppm; 3.11 A): 1 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 far 0 100 0 - 5.1-5.9 QD1 ILE 129 - QD1 LEU 62 far 0 68 0 - 9.5-10.5 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 2 assignments used, quality = 1.00: * HB VAL 63 + HA VAL 63 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 PRO 58 - HA VAL 63 far 0 100 0 - 8.9-9.2 Violated in 0 structures by 0.00 A. Peak 2016 from aliabs.peaks (0.78, 3.36, 66.55 ppm; 3.29 A): 2 out of 8 assignments used, quality = 1.00: * QG1 VAL 63 + HA VAL 63 OK 100 100 100 100 2.3-2.4 3.2=100 QD1 LEU 122 + HA VAL 63 OK 22 73 75 40 3.1-6.1 11387/9397=14...(13) QD2 LEU 122 - HA VAL 63 far 0 100 0 - 3.9-6.1 QD2 LEU 49 - HA VAL 63 far 0 92 0 - 4.3-4.8 QD1 LEU 103 - HA VAL 63 far 0 100 0 - 4.9-5.5 QD1 LEU 96 - HA VAL 63 far 0 98 0 - 5.5-6.1 QD2 LEU 119 - HA VAL 63 far 0 99 0 - 6.1-7.3 QD1 LEU 53 - HA VAL 63 far 0 97 0 - 6.6-7.9 Violated in 0 structures by 0.00 A. Peak 2017 from aliabs.peaks (0.91, 3.36, 66.55 ppm; 3.30 A): 1 out of 9 assignments used, quality = 1.00: * QG2 VAL 63 + HA VAL 63 OK 100 100 100 100 2.3-2.5 3.2=100 QG1 VAL 118 - HA VAL 63 far 0 89 0 - 5.2-6.0 QD1 LEU 62 - HA VAL 63 far 0 100 0 - 5.7-5.8 QD1 LEU 49 - HA VAL 63 far 0 100 0 - 6.0-7.0 QD1 LEU 119 - HA VAL 63 far 0 63 0 - 8.4-9.1 QD1 LEU 48 - HA VAL 63 far 0 100 0 - 8.8-9.5 QD2 LEU 48 - HA VAL 63 far 0 92 0 - 9.2-10.8 QD1 LEU 123 - HA VAL 63 far 0 92 0 - 9.7-10.9 QD2 LEU 123 - HA VAL 63 far 0 63 0 - 9.9-11.0 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 3.2-3.5 9384/9386=99...(18) 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 10 assignments used, quality = 1.00: * HA SER 60 + HB VAL 63 OK 100 100 100 100 2.8-3.3 1902=95, 10978/2.1=58...(11) HB3 SER 99 - HB3 PRO 117 far 0 43 0 - 6.4-7.9 HA LEU 103 - HB VAL 63 far 0 100 0 - 7.5-8.3 HA LEU 119 - HB3 PRO 117 far 0 39 0 - 7.6-8.0 HA LEU 103 - HB3 PRO 117 far 0 48 0 - 8.7-9.1 HA LEU 119 - HB VAL 63 far 0 90 0 - 8.9-9.5 HB3 SER 124 - HB3 PRO 117 far 0 49 0 - 8.9-9.6 HB2 SER 124 - HB3 PRO 117 far 0 35 0 - 9.3-10.2 HB3 SER 99 - HB VAL 63 far 0 96 0 - 9.5-11.6 HA LEU 122 - HB3 PRO 117 far 0 22 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 2022 from aliabs.peaks (3.36, 2.02, 31.42 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 63 + HB VAL 63 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 HIS 67 - HB VAL 63 far 0 83 0 - 5.6-7.7 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 13 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 0 100 0 - 5.5-6.4 QD1 LEU 122 - HB VAL 63 far 0 73 0 - 5.5-8.4 QD2 LEU 122 - HB VAL 63 far 0 100 0 - 6.3-8.6 QD2 LEU 49 - HB VAL 63 far 0 92 0 - 6.7-7.0 QD1 LEU 103 - HB3 PRO 117 far 0 49 0 - 6.8-7.7 QD2 LEU 122 - HB3 PRO 117 far 0 48 0 - 6.9-8.7 QD2 LEU 119 - HB VAL 63 far 0 99 0 - 7.0-7.9 QD1 LEU 122 - HB3 PRO 117 far 0 30 0 - 7.7-9.9 QD2 LEU 119 - HB3 PRO 117 far 0 47 0 - 7.9-8.3 QD1 LEU 96 - HB VAL 63 far 0 98 0 - 7.9-8.5 QD1 LEU 53 - HB VAL 63 far 0 97 0 - 8.2-9.8 QD1 LEU 53 - HB3 PRO 117 far 0 44 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 2025 from aliabs.peaks (0.91, 2.02, 31.42 ppm; 3.08 A): 1 out of 12 assignments used, quality = 1.00: * QG2 VAL 63 + HB VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 118 - HB3 PRO 117 far 0 38 0 - 5.7-5.9 QD1 LEU 119 - HB3 PRO 117 far 0 24 0 - 5.9-6.2 QD1 LEU 62 - HB VAL 63 far 0 100 0 - 6.7-6.9 QG1 VAL 118 - HB VAL 63 far 0 89 0 - 6.8-7.6 QD1 LEU 49 - HB VAL 63 far 0 100 0 - 8.0-8.9 QD1 LEU 62 - HB3 PRO 117 far 0 49 0 - 8.4-9.4 QD2 LEU 98 - HB3 PRO 117 far 0 24 0 - 9.0-11.9 QD1 LEU 119 - HB VAL 63 far 0 63 0 - 9.1-9.9 QD2 LEU 123 - HB3 PRO 117 far 0 24 0 - 9.1-9.7 QD1 LEU 48 - HB VAL 63 far 0 100 0 - 9.5-10.2 QD2 LEU 48 - HB VAL 63 far 0 92 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 2028 from aliabs.peaks (3.36, 0.78, 21.57 ppm; 3.09 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 63 + QG1 VAL 63 OK 100 100 100 100 2.3-2.4 3.2=91, 2034/2.1=63...(23) HB2 HIS 67 - QG1 VAL 63 poor 15 83 25 71 3.5-5.2 4.0/9406=28, 1.8/9468=21...(9) 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 2 assignments used, quality = 1.00: * HB VAL 63 + QG1 VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 PRO 58 - QG1 VAL 63 far 0 100 0 - 8.1-8.5 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): 1 out of 9 assignments used, quality = 1.00: * QG2 VAL 63 + QG1 VAL 63 OK 100 100 100 100 1.9-2.1 2.1=100 QG1 VAL 118 - QG1 VAL 63 far 0 89 0 - 5.3-5.9 QD1 LEU 62 - QG1 VAL 63 far 0 100 0 - 6.4-6.7 QD1 LEU 49 - QG1 VAL 63 far 0 100 0 - 6.5-7.4 QD1 LEU 119 - QG1 VAL 63 far 0 63 0 - 8.0-8.8 QD2 LEU 98 - QG1 VAL 63 far 0 63 0 - 8.3-10.6 QD1 LEU 48 - QG1 VAL 63 far 0 100 0 - 8.4-9.1 QD2 LEU 48 - QG1 VAL 63 far 0 92 0 - 9.1-10.6 QG2 VAL 112 - QG1 VAL 63 far 0 95 0 - 9.9-10.7 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 = 1.00: * HA VAL 63 + QG2 VAL 63 OK 100 100 100 100 2.3-2.5 3.2=91, 2028/2.1=55...(18) HB2 HIS 67 - QG2 VAL 63 far 0 83 0 - 5.9-7.7 HA VAL 63 - QD1 LEU 49 far 0 58 0 - 6.0-7.0 HB2 HIS 67 - QD1 LEU 49 far 0 42 0 - 6.1-7.8 HB3 TYR 72 - QD1 LEU 49 far 0 39 0 - 6.8-8.2 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 9 assignments used, quality = 1.00: * HB VAL 63 + QG2 VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 HB ILE 129 - QD1 LEU 49 far 0 43 0 - 5.9-6.5 HG2 PRO 58 - QG2 VAL 63 far 0 100 0 - 6.3-7.0 HB3 LEU 53 - QD1 LEU 49 far 0 30 0 - 6.5-8.6 HB2 GLN 127 - QD1 LEU 49 far 0 31 0 - 7.2-8.4 HB2 GLU 44 - QD1 LEU 49 far 0 58 0 - 7.3-8.0 HB VAL 63 - QD1 LEU 49 far 0 58 0 - 8.0-8.9 HB3 LEU 53 - QG2 VAL 63 far 0 63 0 - 9.4-10.8 HB3 GLU 55 - QD1 LEU 49 far 0 42 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 2036 from aliabs.peaks (0.78, 0.91, 22.96 ppm; 2.50 A): 2 out of 17 assignments used, quality = 1.00: * QG1 VAL 63 + QG2 VAL 63 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 49 + QD1 LEU 49 OK 49 49 100 100 1.9-2.1 2.1=100 QD1 LEU 103 - QG2 VAL 63 poor 20 100 20 - 2.9-3.7 QD1 LEU 96 - QD1 LEU 49 far 0 55 0 - 3.2-3.8 QD1 LEU 122 - QG2 VAL 63 far 0 73 0 - 3.7-6.1 QD1 LEU 122 - QD1 LEU 49 far 0 36 0 - 3.9-5.5 QD1 LEU 53 - QD1 LEU 49 far 0 53 0 - 4.0-4.9 QD2 LEU 122 - QG2 VAL 63 far 0 100 0 - 4.1-6.3 QD2 LEU 119 - QG2 VAL 63 far 0 99 0 - 4.4-5.3 QD2 LEU 122 - QD1 LEU 49 far 0 58 0 - 5.0-6.1 QD2 LEU 49 - QG2 VAL 63 far 0 92 0 - 5.4-5.7 QD1 LEU 53 - QG2 VAL 63 far 0 97 0 - 6.1-7.6 QD1 LEU 96 - QG2 VAL 63 far 0 98 0 - 6.3-6.9 QG1 VAL 63 - QD1 LEU 49 far 0 58 0 - 6.5-7.4 QD2 LEU 119 - QD1 LEU 49 far 0 56 0 - 8.0-8.5 QD1 LEU 103 - QD1 LEU 49 far 0 58 0 - 8.0-8.8 QD1 ILE 37 - QD1 LEU 49 far 0 50 0 - 9.1-9.7 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 2.3-3.0 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 2.5-3.0 3.0=100 HB3 ASP 71 - HA ASP 64 far 0 100 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 2045 from aliabs.peaks (3.34, 4.45, 57.70 ppm; 4.59 A increased from 4.08 A): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 67 + HA ASP 64 OK 100 100 100 100 2.9-4.5 2102=100, 1.8/2046=83...(9) HA VAL 63 + HA ASP 64 OK 83 83 100 100 4.8-4.9 4.9=81, 3.2/10980=70...(23) Violated in 0 structures by 0.00 A. Peak 2046 from aliabs.peaks (3.41, 4.45, 57.70 ppm; 4.58 A increased from 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 67 + HA ASP 64 OK 100 100 100 100 2.9-4.5 2110=100, 1.8/2102=80...(8) Violated in 0 structures by 0.00 A. Peak 2047 from aliabs.peaks (4.28, 2.75, 40.01 ppm; 4.08 A): 1 out of 1 assignment used, quality = 0.99: * HA GLN 61 + HB2 ASP 64 OK 99 100 100 99 3.3-4.3 1923=84, 2053/1.8=78...(5) Violated in 4 structures by 0.03 A. Peak 2049 from aliabs.peaks (4.45, 2.75, 40.01 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 64 + HB2 ASP 64 OK 100 100 100 100 2.3-3.0 3.0=100 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; 3.98 A increased from 3.75 A): 1 out of 1 assignment used, quality = 0.99: * HA GLN 61 + HB3 ASP 64 OK 99 100 100 99 2.9-3.8 1924=87, 2047/1.8=73...(5) Violated in 0 structures by 0.00 A. Peak 2055 from aliabs.peaks (4.45, 2.80, 40.01 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 64 + HB3 ASP 64 OK 100 100 100 100 2.5-3.0 3.0=100 HA PRO 58 - HB3 ASP 64 far 0 100 0 - 9.7-10.6 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 1 assignment used, quality = 1.00: * HB2 ASP 64 + HB3 ASP 64 OK 100 100 100 100 1.8-1.8 1.8=100 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 1 assignment used, quality = 1.00: * HB THR 65 + HA THR 65 OK 100 100 100 100 3.0-3.0 3.0=100 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 2.3-2.4 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 2 assignments used, quality = 1.00: HG2 GLN 68 + HA THR 65 OK 95 100 95 100 3.1-4.9 1.8/11023=55...(20) * HB2 GLN 68 + HA THR 65 OK 94 100 95 99 3.1-5.2 1.8/2140=58...(18) Violated in 0 structures by 0.00 A. Peak 2066 from aliabs.peaks (2.18, 3.97, 66.33 ppm; 5.03 A increased from 4.73 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 68 + HA THR 65 OK 100 100 100 100 4.0-4.9 2140=100, 3.0/11023=69...(17) HB3 LEU 69 + HA THR 65 OK 34 76 50 89 5.4-6.0 ~11044=40, ~11055=37...(12) Violated in 0 structures by 0.00 A. Peak 2067 from aliabs.peaks (3.83, 4.06, 67.71 ppm; 5.10 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 62 + HB THR 65 OK 100 100 100 100 3.0-3.4 1970=100, 10993/2.1=81...(9) HA LEU 123 - HB THR 65 far 0 90 0 - 7.6-8.6 HB2 SER 50 - HB THR 65 far 0 97 0 - 8.5-10.2 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 6 assignments used, quality = 1.00: * HA THR 65 + HB THR 65 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 SER 51 - HB THR 65 far 0 63 0 - 7.6-8.4 HA SER 50 - HB THR 65 far 0 68 0 - 7.9-8.6 HA LEU 100 - HB THR 65 far 0 99 0 - 8.4-8.7 HB3 SER 51 - HB THR 65 far 0 97 0 - 8.8-9.4 HB3 SER 99 - HB THR 65 far 0 65 0 - 10.0-12.1 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 - 8.7-9.8 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 7 assignments used, quality = 0.99: * HA THR 65 + QG2 THR 65 OK 99 100 100 99 2.3-2.4 3.2=96, ~6842=21...(16) HB2 SER 51 - QG2 THR 65 far 0 63 0 - 5.3-6.1 HB3 SER 51 - QG2 THR 65 far 0 97 0 - 6.1-6.8 HA SER 50 - QG2 THR 65 far 0 68 0 - 6.3-6.8 HA GLN 127 - QG2 THR 65 far 0 100 0 - 7.7-8.4 HA LEU 100 - QG2 THR 65 far 0 99 0 - 8.6-9.0 HB3 SER 99 - QG2 THR 65 far 0 65 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 2075 from aliabs.peaks (4.06, 1.23, 22.77 ppm; 3.03 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 65 + QG2 THR 65 OK 100 100 100 100 2.1-2.1 2.1=100 HA GLU 44 - QG2 THR 65 far 0 76 0 - 7.2-7.6 HA LEU 122 - QG2 THR 65 far 0 71 0 - 7.8-9.0 HA LEU 96 - QG2 THR 65 far 0 97 0 - 9.1-9.5 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): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 69 + HA2 GLY 66 OK 100 100 100 100 3.9-4.4 3.2/11058=85...(21) HB2 LEU 69 + HA3 GLY 66 OK 99 99 100 100 5.3-5.7 ~11058=73, ~11053=67...(21) HG LEU 62 - HA3 GLY 66 far 0 98 0 - 8.0-8.6 HG LEU 62 - HA2 GLY 66 far 0 100 0 - 8.7-9.2 HB2 LEU 123 - HA2 GLY 66 far 0 100 0 - 9.1-10.1 HB2 LEU 123 - HA3 GLY 66 far 0 99 0 - 9.2-10.3 HG LEU 119 - HA3 GLY 66 far 0 60 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 2084 from aliabs.peaks (2.16, 3.63, 47.54 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LEU 69 + HA2 GLY 66 OK 100 100 100 100 2.7-2.9 3.2/11058=85...(18) HB3 LEU 69 + HA3 GLY 66 OK 99 99 100 100 4.2-4.5 ~11058=73, ~11053=67...(18) HB3 GLN 68 + HA2 GLY 66 OK 69 76 100 91 6.5-7.2 2066/4.9=62...(4) HB2 GLU 97 - HA2 GLY 66 far 11 73 15 - 7.2-9.6 HB2 GLU 97 - HA3 GLY 66 lone 4 70 55 11 6.9-9.1 11695/9991=8 HB3 GLN 68 - HA3 GLY 66 far 4 73 5 - 7.2-8.1 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): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 69 + HA3 GLY 66 OK 100 100 100 100 5.3-5.7 ~11058=73, ~11053=67...(21) HB2 LEU 69 + HA2 GLY 66 OK 99 99 100 100 3.9-4.4 3.2/11058=89...(21) HG LEU 62 - HA3 GLY 66 far 0 100 0 - 8.0-8.6 HG LEU 62 - HA2 GLY 66 far 0 98 0 - 8.7-9.2 HB2 LEU 123 - HA2 GLY 66 far 0 99 0 - 9.1-10.1 HB2 LEU 123 - HA3 GLY 66 far 0 100 0 - 9.2-10.3 HG LEU 119 - HA3 GLY 66 far 0 63 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 2091 from aliabs.peaks (2.16, 3.63, 47.54 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LEU 69 + HA3 GLY 66 OK 100 100 100 100 4.2-4.5 ~11058=73, ~11053=67...(18) HB3 LEU 69 + HA2 GLY 66 OK 99 99 100 100 2.7-2.9 3.2/11058=89...(18) HB3 GLN 68 + HA2 GLY 66 OK 66 73 100 90 6.5-7.2 2066/4.9=62...(4) HB2 GLU 97 - HA2 GLY 66 far 11 70 15 - 7.2-9.6 HB2 GLU 97 - HA3 GLY 66 lone 5 73 55 13 6.9-9.1 11695/9991=10 HB3 GLN 68 - HA3 GLY 66 far 4 76 5 - 7.2-8.1 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): 1 out of 5 assignments used, quality = 1.00: * HB2 HIS 67 + HA HIS 67 OK 100 100 100 100 2.7-3.0 3.0=100 HA VAL 63 - HA HIS 67 far 0 83 0 - 5.7-6.3 HB2 PHE 89 - HA GLU 128 far 0 26 0 - 8.4-9.6 HB3 TYR 72 - HA HIS 67 far 0 100 0 - 9.0-10.4 HB3 PHE 89 - HA GLU 128 far 0 45 0 - 9.7-10.7 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 2.7-3.0 3.0=100 HA VAL 126 - HA GLU 128 far 0 23 0 - 6.3-6.6 HA VAL 126 - HA HIS 67 far 0 63 0 - 9.7-10.2 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 = 0.98: * HD2 HIS 67 + HA HIS 67 OK 98 100 100 98 2.1-2.2 5501=70, 6870/2.9=48...(10) QD TYR 72 - HA HIS 67 far 0 68 0 - 7.5-8.1 Violated in 0 structures by 0.00 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 3.3-3.5 6936=100, 2268/11089=66...(20) H VAL 132 + HA GLU 128 OK 43 44 100 99 4.1-4.6 7908=59, 7914/4195=55...(11) H LEU 100 - HA HIS 67 far 0 76 0 - 6.9-7.5 H VAL 93 - HA GLU 128 far 0 23 0 - 8.1-8.9 H ASP 47 - HA GLU 128 far 0 44 0 - 9.9-10.9 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 3 assignments used, quality = 1.00: * HB2 LEU 70 + HA HIS 67 OK 99 100 100 99 4.1-4.7 3.2/11089=63...(17) HB3 LEU 70 + HA HIS 67 OK 98 98 100 99 2.6-3.1 3.2/11089=63...(18) HG2 ARG 135 - HA GLU 128 far 0 45 0 - 7.6-9.2 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 3 assignments used, quality = 1.00: * HB3 LEU 70 + HA HIS 67 OK 99 100 100 99 2.6-3.1 3.2/11089=63...(18) HB2 LEU 70 + HA HIS 67 OK 97 98 100 99 4.1-4.7 3.2/11089=63...(17) HG2 ARG 135 - HA GLU 128 far 0 40 0 - 7.6-9.2 Violated in 0 structures by 0.00 A. Peak 2102 from aliabs.peaks (4.45, 3.34, 27.59 ppm; 4.54 A increased from 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 64 + HB2 HIS 67 OK 100 100 100 100 2.9-4.5 2046/1.8=82, 2045=57...(9) Violated in 0 structures by 0.00 A. Peak 2104 from aliabs.peaks (4.21, 3.34, 27.59 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 67 + HB2 HIS 67 OK 100 100 100 100 2.7-3.0 3.0=100 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 3.5-3.8 4.0=100 QD TYR 72 - HB2 HIS 67 far 0 68 0 - 7.5-8.5 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 1 assignment used, quality = 1.00: * HA ASP 64 + HB3 HIS 67 OK 100 100 100 100 2.9-4.5 2046=100, 2102/1.8=74...(8) 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 1 assignment used, quality = 1.00: * HA HIS 67 + HB3 HIS 67 OK 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2113 from aliabs.peaks (3.34, 3.41, 27.59 ppm; 3.29 A): 1 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 far 0 83 0 - 5.0-6.9 HB3 TYR 72 - HB3 HIS 67 far 0 100 0 - 9.6-11.8 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 3.6-3.8 4.0=100 QD TYR 72 - HB3 HIS 67 far 0 68 0 - 7.6-8.8 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 7 assignments used, quality = 1.00: * HB2 GLN 68 + HA GLN 68 OK 100 100 100 100 2.4-2.7 3.0=100 HG2 GLN 68 + HA GLN 68 OK 100 100 100 100 3.7-3.8 3.7=91, 1.8/2160=72...(24) HB2 GLN 82 - HA ARG 135 far 0 69 0 - 6.9-9.5 HB VAL 133 - HA ARG 135 far 0 38 0 - 7.1-7.7 HB2 PRO 81 - HA ARG 135 far 0 52 0 - 8.8-12.2 HB3 GLU 97 - HA GLN 68 far 0 100 0 - 9.5-11.0 HB3 GLU 128 - HA ARG 135 far 0 67 0 - 9.9-12.0 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 5 assignments used, quality = 1.00: * HB3 GLN 68 + HA GLN 68 OK 100 100 100 100 2.2-2.5 3.0=100 HB3 LEU 69 - HA GLN 68 far 0 76 0 - 5.5-5.6 HB2 GLN 82 - HA ARG 135 far 0 42 0 - 6.9-9.5 HB VAL 133 - HA ARG 135 far 0 71 0 - 7.1-7.7 HB2 PRO 81 - HA ARG 135 far 0 68 0 - 8.8-12.2 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 7 assignments used, quality = 1.00: * HG2 GLN 68 + HA GLN 68 OK 100 100 100 100 3.7-3.8 3.7=92, 1.8/2160=72...(24) HB2 GLN 68 + HA GLN 68 OK 100 100 100 100 2.4-2.7 3.0=100 HB2 GLN 82 - HA ARG 135 far 0 72 0 - 6.9-9.5 HB VAL 133 - HA ARG 135 far 0 44 0 - 7.1-7.7 HB2 PRO 81 - HA ARG 135 far 0 53 0 - 8.8-12.2 HB3 GLU 97 - HA GLN 68 far 0 100 0 - 9.5-11.0 HB3 GLU 128 - HA ARG 135 far 0 62 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 2123 from aliabs.peaks (2.32, 4.00, 58.83 ppm; 3.78 A increased from 3.56 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 68 + HA GLN 68 OK 100 100 100 100 3.4-3.8 3.7=100 HB3 GLN 134 - HA ARG 135 far 7 70 10 - 4.2-6.0 HG2 GLU 44 - HA GLN 68 far 0 100 0 - 9.4-12.7 HG2 GLU 128 - HA ARG 135 far 0 52 0 - 9.5-12.3 Violated in 1 structures by 0.00 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 4.1-5.8 5.2=100 QE TYR 72 + HA GLN 68 OK 96 96 100 100 3.7-4.6 11830/3.7=92...(11) 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 4.2-6.5 5.2=100 H GLY 75 - HA GLN 68 far 0 93 0 - 8.6-9.0 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 3.5-3.5 3.6=100 H TYR 72 + HA GLN 68 OK 75 76 100 99 4.2-4.7 3.4/6956=64, 4.6/2129=54...(12) H ASP 131 - HA ARG 135 far 0 44 0 - 7.0-8.3 H LEU 49 - HA GLN 68 far 0 100 0 - 9.2-10.0 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 2 assignments used, quality = 1.00: * H ASP 71 + HA GLN 68 OK 100 100 100 100 3.4-3.7 6956=100, 6968/2129=78...(14) H VAL 133 - HA ARG 135 far 0 73 0 - 5.7-6.5 Violated in 0 structures by 0.00 A. Peak 2128 from aliabs.peaks (2.61, 4.00, 58.83 ppm; 4.46 A increased from 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 71 + HA GLN 68 OK 100 100 100 100 3.8-4.4 2284=100, 1.8/2129=91...(13) Violated in 0 structures by 0.00 A. Peak 2129 from aliabs.peaks (2.81, 4.00, 58.83 ppm; 3.82 A): 1 out of 4 assignments used, quality = 0.99: * HB3 ASP 71 + HA GLN 68 OK 99 100 100 99 2.8-3.5 2290=80, 1.8/2128=60...(13) HB3 ASN 85 - HA ARG 135 far 0 68 0 - 7.1-7.9 HB2 ASN 13 - HA GLN 68 far 0 97 0 - 8.3-36.6 HB3 ASP 64 - HA GLN 68 far 0 100 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 2130 from aliabs.peaks (3.97, 2.22, 28.25 ppm; 5.08 A): 2 out of 11 assignments used, quality = 1.00: * HA THR 65 + HB2 GLN 68 OK 100 100 100 100 3.1-5.2 2066/1.8=85...(18) HB2 SER 106 + HB3 GLU 102 OK 29 53 85 65 3.3-6.4 10105/11545=32...(10) HA LEU 100 - HB3 GLU 102 poor 18 52 35 - 5.3-7.0 HB3 SER 106 - HB3 GLU 102 poor 13 50 65 40 4.1-6.9 11459/11020=11...(9) HB3 SER 99 - HB3 GLU 102 poor 10 28 35 - 4.8-6.8 HB2 SER 124 - HB3 GLU 128 far 0 39 0 - 5.9-6.7 HA GLN 127 - HB3 GLU 128 far 0 52 0 - 6.1-6.5 HD3 PRO 117 - HB3 GLU 102 far 0 41 0 - 6.1-9.0 HB3 SER 107 - HB3 GLU 102 far 0 48 0 - 6.5-9.8 HA SER 50 - HB3 GLU 128 far 0 29 0 - 9.8-11.0 HA GLU 91 - HB3 GLU 128 far 0 52 0 - 9.8-10.6 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 5 assignments used, quality = 1.00: * H GLN 68 + HB2 GLN 68 OK 100 100 100 100 2.1-3.6 3.7=100 H GLU 102 + HB3 GLU 102 OK 52 52 100 100 2.1-3.7 3.8=100 H GLU 128 + HB3 GLU 128 OK 43 43 100 100 3.1-3.6 3.6=100 H ALA 88 - HB2 GLN 82 far 0 87 0 - 7.2-8.2 H ALA 88 - HB3 GLU 128 far 0 51 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 2132 from aliabs.peaks (4.00, 2.22, 28.25 ppm; 4.79 A): 2 out of 13 assignments used, quality = 1.00: * HA GLN 68 + HB2 GLN 68 OK 100 100 100 100 2.4-2.7 3.0=100 HA LEU 103 + HB3 GLU 102 OK 47 47 100 99 4.5-5.1 3.0/7469=73...(12) HB3 SER 99 - HB3 GLU 102 poor 18 52 35 - 4.8-6.8 HB3 SER 106 - HB3 GLU 102 poor 7 34 65 30 4.1-6.9 4.0/4096=9...(8) HB2 SER 124 - HB3 GLU 128 far 0 46 0 - 5.9-6.7 HA ARG 135 - HB2 GLN 82 far 0 77 0 - 6.9-9.5 HB3 SER 124 - HB3 GLU 128 far 0 48 0 - 6.9-7.9 HA LYS 95 - HB3 GLU 102 far 0 35 0 - 8.3-10.8 HA LEU 119 - HB3 GLU 102 far 0 34 0 - 9.0-10.2 HA ILE 37 - HB2 GLN 68 far 0 87 0 - 9.3-12.4 HA SER 50 - HB3 GLU 128 far 0 51 0 - 9.8-11.0 HA GLU 91 - HB3 GLU 128 far 0 25 0 - 9.8-10.6 HA ARG 135 - HB3 GLU 128 far 0 43 0 - 9.9-12.0 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 8 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 0 76 0 - 5.3-5.7 HB2 GLN 101 - HB3 GLU 102 far 0 31 0 - 5.7-6.8 HB2 PRO 81 - HB2 GLN 82 far 0 82 0 - 6.7-7.1 HG2 GLU 91 - HB3 GLU 128 far 0 24 0 - 7.1-10.6 HB VAL 133 - HB2 GLN 82 far 0 85 0 - 8.6-11.5 HB2 GLN 104 - HB3 GLU 102 far 0 51 0 - 9.0-9.2 HB VAL 133 - HB3 GLU 128 far 0 49 0 - 9.2-10.8 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): 3 out of 7 assignments used, quality = 1.00: * HG3 GLN 68 + HB2 GLN 68 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 102 + HB3 GLU 102 OK 50 50 100 100 2.3-3.0 3.0=100 HG2 GLU 128 + HB3 GLU 128 OK 35 35 100 100 2.2-3.0 3.0=100 HG2 GLN 127 - HB3 GLU 128 poor 13 32 40 - 3.6-7.9 HB3 GLN 101 - HB3 GLU 102 far 2 41 5 - 5.0-7.3 HG2 GLU 44 - HB2 GLN 68 far 0 100 0 - 8.8-11.8 HB3 GLN 134 - HB3 GLU 128 far 0 48 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 2137 from aliabs.peaks (6.82, 2.22, 28.25 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HE21 GLN 68 + HB2 GLN 68 OK 100 100 100 100 2.4-4.2 4.6=100 QE TYR 72 + HB2 GLN 68 OK 96 96 100 100 1.9-5.0 11830/3.0=97...(16) HE21 GLN 101 - HB3 GLU 102 poor 11 35 100 31 6.0-7.2 11453/11020=12...(4) HE21 GLN 127 - HB3 GLU 128 lone 3 51 40 16 6.3-9.5 3.5/4062=14 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 1.9-4.2 4.6=100 HD22 ASN 121 - HB3 GLU 102 poor 16 52 30 - 7.1-8.5 H LEU 98 - HB3 GLU 102 poor 10 28 35 - 6.5-9.4 H GLY 75 - HB2 GLN 68 far 0 93 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 2139 from aliabs.peaks (8.30, 2.22, 28.25 ppm; 5.17 A): 2 out of 9 assignments used, quality = 1.00: * H LEU 69 + HB2 GLN 68 OK 100 100 100 100 3.4-3.7 4.4=100 H ASP 131 + HB3 GLU 128 OK 29 29 100 99 5.3-5.7 3.8/11730=57...(12) H SER 99 - HB3 GLU 102 poor 18 51 35 - 4.8-7.3 H TYR 72 - HB2 GLN 68 far 4 76 5 - 5.3-6.7 H VAL 126 - HB3 GLU 128 far 0 39 0 - 6.5-7.0 H LEU 49 - HB2 GLN 68 far 0 100 0 - 7.3-8.6 H LEU 96 - HB3 GLU 128 far 0 33 0 - 8.8-9.6 H LEU 43 - HB2 GLN 68 far 0 97 0 - 9.6-11.7 H LEU 96 - HB3 GLU 102 far 0 34 0 - 9.7-12.2 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 1 assignment used, quality = 1.00: * HA THR 65 + HB3 GLN 68 OK 100 100 100 100 4.0-4.9 2066=99, 11023/3.0=64...(17) Violated in 3 structures by 0.00 A. Peak 2141 from aliabs.peaks (7.86, 2.18, 28.25 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.4-3.5 3.7=100 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 2 assignments used, quality = 1.00: * HA GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.2-2.5 3.0=100 HA ILE 37 - HB3 GLN 68 far 0 87 0 - 8.7-11.1 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 2 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 2.3-3.0 3.0=91, 2150/3.7=26...(17) 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 2 assignments used, quality = 1.00: * HG2 GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 68 + HB3 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 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 2 assignments used, quality = 1.00: * HG3 GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 44 - HB3 GLN 68 far 0 100 0 - 7.8-11.1 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 1.9-4.3 4.6=100 QE TYR 72 + HB3 GLN 68 OK 96 96 100 100 2.3-3.6 11830/3.0=97, 9550=90...(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 1.7-4.6 4.6=100 H GLY 75 - HB3 GLN 68 far 0 93 0 - 9.8-10.9 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 4 assignments used, quality = 1.00: * H LEU 69 + HB3 GLN 68 OK 100 100 100 100 3.8-4.1 4.4=100 H TYR 72 + HB3 GLN 68 OK 72 76 95 100 5.3-6.5 4.6/11114=57, ~6956=52...(16) H LEU 49 - HB3 GLN 68 far 0 100 0 - 8.0-9.1 H LEU 43 - HB3 GLN 68 far 0 97 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 2151 from aliabs.peaks (4.00, 2.21, 33.81 ppm; 3.83 A increased from 3.61 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 68 + HG2 GLN 68 OK 100 100 100 100 3.7-3.8 3.7=100 HA ILE 37 - HG2 GLN 68 far 0 87 0 - 8.7-11.9 Violated in 0 structures by 0.00 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 2 assignments used, quality = 1.00: * HB3 GLN 68 + HG2 GLN 68 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 69 + HG2 GLN 68 OK 75 76 100 99 3.3-4.6 3.7/2158=60...(23) 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 2 assignments used, quality = 1.00: * HG3 GLN 68 + HG2 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 44 - HG2 GLN 68 far 0 100 0 - 7.6-10.7 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 2.1-3.8 3.5=100 QE TYR 72 + HG2 GLN 68 OK 96 96 100 100 3.3-4.3 2.2/9481=66, 9550/3.0=61...(14) HE21 GLN 127 - HG2 GLN 68 far 0 99 0 - 9.5-16.5 Violated in 0 structures by 0.00 A. Peak 2158 from aliabs.peaks (8.30, 2.21, 33.81 ppm; 5.26 A): 3 out of 5 assignments used, quality = 1.00: * H LEU 69 + HG2 GLN 68 OK 100 100 100 100 1.8-3.2 6922/1.8=92, 2139/3.0=86...(22) H TYR 72 + HG2 GLN 68 OK 37 76 50 98 5.3-6.2 4.5/9481=60...(11) H LEU 49 + HG2 GLN 68 OK 21 100 25 83 5.5-6.9 11703/9479=57...(6) H LEU 43 - HG2 GLN 68 far 0 97 0 - 8.0-10.0 H VAL 126 - HG2 GLN 68 far 0 85 0 - 9.6-11.1 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 3.0-4.2 5.1=100 H ALA 41 - HG3 GLN 68 far 0 63 0 - 9.9-11.1 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 2 assignments used, quality = 1.00: * HA GLN 68 + HG3 GLN 68 OK 100 100 100 100 3.4-3.8 3.7=94, 2.9/2159=48...(19) HA ILE 37 - HG3 GLN 68 far 0 87 0 - 9.3-10.2 Violated in 1 structures by 0.01 A. Peak 2161 from aliabs.peaks (2.22, 2.32, 33.81 ppm; 4.74 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 68 + HG3 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 96 - HG3 GLN 68 far 0 73 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 2162 from aliabs.peaks (2.18, 2.32, 33.81 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 69 - HG3 GLN 68 far 8 76 10 - 3.3-4.4 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 3 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 92 100 100 92 2.3-3.0 3.0=64, 3.0/2160=27...(15) HB3 LEU 96 - HG3 GLN 68 far 0 65 0 - 9.5-11.1 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 2 assignments used, quality = 1.00: * HE21 GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.9-4.1 3.5=100 QE TYR 72 + HG3 GLN 68 OK 96 96 100 100 2.0-5.0 11830/1.8=85...(13) 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 5 assignments used, quality = 1.00: * H LEU 69 + HG3 GLN 68 OK 100 100 100 100 1.8-3.0 6922=100, 2158/1.8=88...(17) H TYR 72 + HG3 GLN 68 OK 68 76 95 95 4.6-5.6 4.5/9482=54...(9) H LEU 49 - HG3 GLN 68 far 0 100 0 - 6.2-7.5 H LEU 43 - HG3 GLN 68 far 0 97 0 - 8.3-9.1 H VAL 126 - HG3 GLN 68 far 0 85 0 - 9.9-11.3 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 6 assignments used, quality = 1.00: * H LEU 69 + HA LEU 69 OK 100 100 100 100 2.8-2.8 2.9=100 H TYR 72 + HA LEU 69 OK 76 76 100 100 3.4-3.6 3.8/2178=75...(22) H LEU 43 - HA LEU 69 far 0 97 0 - 7.3-7.9 H LEU 49 - HA LEU 69 far 0 100 0 - 7.3-7.9 H VAL 126 - HA LEU 69 far 0 85 0 - 8.9-9.2 H LEU 96 - HA LEU 69 far 0 76 0 - 9.8-10.2 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 3 assignments used, quality = 1.00: * HB2 LEU 69 + HA LEU 69 OK 100 100 100 100 2.7-2.9 3.0=100 HG LEU 43 - HA LEU 69 far 0 99 0 - 8.9-10.1 HD3 LYS 36 - HA LEU 69 far 0 97 0 - 9.4-11.2 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 2.8-2.9 3.0=100 HB3 GLN 68 + HA LEU 69 OK 76 76 100 100 4.9-5.6 ~2139=63, ~2158=45...(19) HB2 GLU 97 - HA LEU 69 far 0 73 0 - 8.4-11.1 Violated in 0 structures by 0.00 A. Peak 2172 from aliabs.peaks (1.51, 4.35, 58.02 ppm; 4.74 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 69 + HA LEU 69 OK 100 100 100 100 3.6-3.6 3.7=100 HG LEU 42 + HA LEU 69 OK 58 60 100 97 3.9-4.4 2.1/9102=45...(14) HB3 LEU 42 - HA LEU 69 far 0 60 0 - 5.4-6.3 HB2 LEU 49 - HA LEU 69 far 0 85 0 - 7.0-8.2 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 1.8-2.1 2208=100, 11037/11811=35...(22) Violated in 0 structures by 0.00 A. Peak 2174 from aliabs.peaks (0.87, 4.35, 58.02 ppm; 4.30 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 69 + HA LEU 69 OK 100 100 100 100 2.4-2.6 3.9=100 QD2 LEU 70 + HA LEU 69 OK 62 98 65 98 4.7-5.0 2268/3.6=65, 2269/4.9=49...(13) QD2 LEU 48 - HA LEU 69 far 0 60 0 - 8.5-9.2 QG1 VAL 133 - HA LEU 69 far 0 65 0 - 8.6-9.2 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 3 assignments used, quality = 1.00: * H LEU 70 + HA LEU 69 OK 100 100 100 100 3.5-3.5 3.6=100 H ASP 47 - HA LEU 69 far 0 99 0 - 7.3-7.6 H VAL 93 - HA LEU 69 far 0 63 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 2176 from aliabs.peaks (8.32, 4.35, 58.02 ppm; 6.28 A): 2 out of 4 assignments used, quality = 1.00: * H TYR 72 + HA LEU 69 OK 100 100 100 100 3.4-3.6 6973=100, 6974/3.6=90...(22) H LEU 69 + HA LEU 69 OK 76 76 100 100 2.8-2.8 2.9=100 H LEU 49 - HA LEU 69 far 0 81 0 - 7.3-7.9 H GLU 44 - HA LEU 69 far 0 97 0 - 8.0-8.5 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 2.6-4.9 1.8/2178=95...(19) 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 2 assignments used, quality = 1.00: * HB3 TYR 72 + HA LEU 69 OK 100 100 100 100 3.2-4.8 2.7/11028=78...(21) HB2 HIS 67 - HA LEU 69 far 0 100 0 - 7.5-7.9 Violated in 3 structures by 0.00 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 3.9-4.4 11058/3.2=83...(21) HA3 GLY 66 + HB2 LEU 69 OK 100 100 100 100 5.3-5.7 ~11058=73, ~11053=67...(21) 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 5.3-5.7 ~11058=73, ~11053=67...(21) HA2 GLY 66 + HB2 LEU 69 OK 100 100 100 100 3.9-4.4 11058/3.2=88...(21) Violated in 0 structures by 0.00 A. Peak 2181 from aliabs.peaks (8.30, 1.65, 40.44 ppm; 6.80 A): 5 out of 8 assignments used, quality = 1.00: * H LEU 69 + HB2 LEU 69 OK 100 100 100 100 3.3-3.4 3.7=100 H VAL 126 + HB2 LEU 69 OK 84 85 100 99 6.5-6.9 ~11052=68, ~11077=64...(9) H TYR 72 + HB2 LEU 69 OK 76 76 100 100 5.2-5.4 6973/3.0=65, 9522/3.2=63...(17) H LEU 49 + HB2 LEU 69 OK 64 100 70 92 7.3-7.6 2215/3.0=49...(8) H LEU 96 + HB2 LEU 69 OK 57 76 75 99 7.1-7.5 5.1/11805=91...(8) H LEU 43 - HB2 LEU 69 far 0 97 0 - 9.1-9.5 H SER 99 - HB2 LEU 69 far 0 99 0 - 9.5-10.2 H ASP 131 - HB2 LEU 69 far 0 68 0 - 10.0-10.7 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 2.7-2.9 3.0=100 HA CYS 73 + HB2 LEU 69 OK 60 60 100 100 5.6-6.3 9955/11407=76...(17) HA CYS 125 - HB2 LEU 69 far 0 99 0 - 8.8-9.3 HA ASP 47 - HB2 LEU 69 far 0 97 0 - 9.4-9.7 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): 1 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 HB2 GLU 97 - HB2 LEU 69 far 0 73 0 - 6.3-8.8 HB3 GLN 68 - HB2 LEU 69 far 0 76 0 - 7.0-7.1 Violated in 0 structures by 0.00 A. Peak 2185 from aliabs.peaks (1.51, 1.65, 40.44 ppm; 6.35 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 69 + HB2 LEU 69 OK 100 100 100 100 2.4-2.4 2.9=100 HB2 LEU 49 + HB2 LEU 69 OK 81 85 95 100 6.1-7.0 ~11048=71, 3.2/11034=43...(21) HG LEU 42 + HB2 LEU 69 OK 60 60 100 100 5.4-5.9 ~11039=85, ~11066=84...(21) HB3 LEU 42 - HB2 LEU 69 far 0 60 0 - 7.4-8.2 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 1 assignment used, quality = 1.00: * QD1 LEU 69 + HB2 LEU 69 OK 100 100 100 100 2.4-2.5 3.2=100 Violated in 0 structures by 0.00 A. Peak 2187 from aliabs.peaks (0.87, 1.65, 40.44 ppm; 4.74 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 69 + HB2 LEU 69 OK 100 100 100 100 3.2-3.2 3.0=100 QD2 LEU 70 + HB2 LEU 69 OK 97 98 100 99 2.9-3.3 2268/6941=72...(11) QD2 LEU 98 - HB2 LEU 69 far 0 90 0 - 9.2-11.4 QG1 VAL 133 - HB2 LEU 69 far 0 65 0 - 9.3-9.9 QD2 LEU 48 - HB2 LEU 69 far 0 60 0 - 9.5-9.8 QG1 VAL 118 - HB2 LEU 69 far 0 65 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 2188 from aliabs.peaks (8.46, 1.65, 40.44 ppm; 6.30 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 70 + HB2 LEU 69 OK 100 100 100 100 2.9-3.3 4.4=100 H VAL 93 - HB2 LEU 69 far 0 63 0 - 7.7-8.5 H ASP 47 - HB2 LEU 69 far 0 99 0 - 8.1-8.3 H LEU 100 - HB2 LEU 69 far 0 76 0 - 8.7-9.0 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 2.7-2.9 11058/3.2=83...(18) HA3 GLY 66 + HB3 LEU 69 OK 100 100 100 100 4.2-4.5 ~11058=73, ~11053=67...(18) 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 4.2-4.5 ~11058=73, ~11053=67...(18) HA2 GLY 66 + HB3 LEU 69 OK 100 100 100 100 2.7-2.9 11058/3.2=88...(18) Violated in 0 structures by 0.00 A. Peak 2191 from aliabs.peaks (8.30, 2.16, 40.44 ppm; 6.28 A): 3 out of 7 assignments used, quality = 1.00: * H LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.0-2.1 3.7=100 H LEU 49 + HB3 LEU 69 OK 87 100 100 87 6.0-6.5 2215/3.0=47, 3.9/2195=31...(9) H TYR 72 + HB3 LEU 69 OK 76 76 100 100 5.7-5.9 6973/3.0=65, 9522/3.2=59...(17) H VAL 126 - HB3 LEU 69 far 4 85 5 - 6.8-7.3 H LEU 96 - HB3 LEU 69 far 0 76 0 - 8.1-8.7 H LEU 43 - HB3 LEU 69 far 0 97 0 - 9.4-10.1 H SER 99 - HB3 LEU 69 far 0 99 0 - 9.9-10.8 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 2.8-2.9 3.0=100 HA CYS 73 - HB3 LEU 69 far 0 60 0 - 7.1-7.8 HA ASP 47 - HB3 LEU 69 far 0 97 0 - 9.0-9.3 HA CYS 125 - HB3 LEU 69 far 0 99 0 - 9.7-10.2 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 1 assignment used, quality = 1.00: * HB2 LEU 69 + HB3 LEU 69 OK 100 100 100 100 1.8-1.8 1.8=100 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): 2 out of 4 assignments used, quality = 1.00: * HG LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.4-2.5 2.9=100 HB2 LEU 49 + HB3 LEU 69 OK 63 85 75 99 5.2-6.3 ~11048=48, 2219/3.0=35...(19) HG LEU 42 - HB3 LEU 69 far 0 60 0 - 6.2-6.7 HB3 LEU 42 - HB3 LEU 69 far 0 60 0 - 8.1-8.9 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 1 assignment used, quality = 1.00: * QD1 LEU 69 + HB3 LEU 69 OK 100 100 100 100 3.2-3.2 3.2=100 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 5 assignments used, quality = 1.00: * QD2 LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.1-2.2 3.0=100 QD2 LEU 70 + HB3 LEU 69 OK 93 98 100 94 3.6-3.9 2268/4.4=52, 11099=34...(10) QD2 LEU 48 - HB3 LEU 69 far 0 60 0 - 8.3-8.7 QG1 VAL 118 - HB3 LEU 69 far 0 65 0 - 9.2-9.9 QD2 LEU 98 - HB3 LEU 69 far 0 90 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 2198 from aliabs.peaks (8.46, 2.16, 40.44 ppm; 6.27 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 70 + HB3 LEU 69 OK 100 100 100 100 3.0-3.3 4.4=100 H ASP 47 - HB3 LEU 69 far 0 99 0 - 7.6-7.9 H LEU 100 - HB3 LEU 69 far 0 76 0 - 8.6-9.0 H VAL 93 - HB3 LEU 69 far 0 63 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 2199 from aliabs.peaks (8.30, 1.51, 27.00 ppm; 6.80 A): 4 out of 7 assignments used, quality = 1.00: * H LEU 69 + HG LEU 69 OK 100 100 100 100 4.2-4.4 5.2=100 H LEU 49 + HG LEU 69 OK 95 100 100 95 5.3-5.7 2215/2.1=49...(9) H VAL 126 + HG LEU 69 OK 84 85 100 99 5.5-5.8 ~11052=78, ~11077=73...(8) H TYR 72 + HG LEU 69 OK 76 76 100 100 6.8-7.1 ~11084=72, ~9563=71...(12) H LEU 96 - HG LEU 69 far 0 76 0 - 8.0-8.4 H LEU 43 - HG LEU 69 far 0 97 0 - 8.2-8.8 H ASP 131 - HG LEU 69 far 0 68 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 2200 from aliabs.peaks (4.35, 1.51, 27.00 ppm; 6.36 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 69 + HG LEU 69 OK 100 100 100 100 3.6-3.6 3.7=100 HA CYS 73 + HG LEU 69 OK 21 60 35 100 6.7-7.6 ~11084=70, ~9563=69...(11) HA ASP 47 - HG LEU 69 far 0 97 0 - 7.1-7.3 HA CYS 125 - HG LEU 69 far 0 99 0 - 8.2-8.5 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 3 assignments used, quality = 1.00: * HB2 LEU 69 + HG LEU 69 OK 100 100 100 100 2.4-2.4 2.9=100 HG LEU 43 - HG LEU 69 far 0 99 0 - 9.1-10.0 HB2 LEU 123 - HG LEU 69 far 0 100 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 2202 from aliabs.peaks (2.16, 1.51, 27.00 ppm; 5.51 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 69 + HG LEU 69 OK 100 100 100 100 2.4-2.5 2.9=100 HB3 GLN 68 - HG LEU 69 far 0 76 0 - 7.3-7.8 HB2 GLU 97 - HG LEU 69 far 0 73 0 - 8.3-10.7 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 1 assignment used, quality = 1.00: * QD1 LEU 69 + HG LEU 69 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2205 from aliabs.peaks (0.87, 1.51, 27.00 ppm; 3.88 A): 1 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 far 0 98 0 - 4.7-5.1 QD2 LEU 48 - HG LEU 69 far 0 60 0 - 8.1-8.5 QG1 VAL 133 - HG LEU 69 far 0 65 0 - 8.7-9.4 QD2 LEU 123 - HG LEU 69 far 0 90 0 - 9.3-9.7 QG1 VAL 118 - HG LEU 69 far 0 65 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 2207 from aliabs.peaks (8.30, 1.01, 23.36 ppm; 4.10 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 69 + QD1 LEU 69 OK 100 100 100 100 3.9-4.1 4.3=87, 2.9/2208=71...(15) H TYR 72 + QD1 LEU 69 OK 71 76 95 98 4.2-4.7 4.5/11064=42...(16) H LEU 43 - QD1 LEU 69 far 0 97 0 - 5.1-5.5 H LEU 49 - QD1 LEU 69 far 0 100 0 - 5.5-6.0 H VAL 126 - QD1 LEU 69 far 0 85 0 - 6.0-6.1 H ASP 131 - QD1 LEU 69 far 0 68 0 - 6.6-7.1 H LEU 96 - QD1 LEU 69 far 0 76 0 - 7.4-7.8 H GLU 40 - QD1 LEU 69 far 0 97 0 - 8.8-9.3 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 1.8-2.1 2173=89, 3.6/6944=32...(23) HA CYS 73 + QD1 LEU 69 OK 26 60 55 78 4.0-4.6 2.9/11084=32...(12) HA ASP 47 - QD1 LEU 69 far 0 97 0 - 6.1-6.6 HA CYS 125 - QD1 LEU 69 far 0 99 0 - 7.6-7.9 HA2 GLY 75 - QD1 LEU 69 far 0 76 0 - 8.9-9.4 HA GLN 134 - QD1 LEU 69 far 0 100 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 2209 from aliabs.peaks (1.65, 1.01, 23.36 ppm; 3.81 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 69 + QD1 LEU 69 OK 100 100 100 100 2.4-2.5 3.2=100 HG LEU 43 - QD1 LEU 69 far 0 99 0 - 6.0-6.9 QB ALA 88 - QD1 LEU 69 far 0 95 0 - 9.1-9.6 HD3 LYS 36 - QD1 LEU 69 far 0 97 0 - 9.3-10.5 HD2 LYS 39 - QD1 LEU 69 far 0 60 0 - 9.4-10.7 HB2 LEU 123 - QD1 LEU 69 far 0 100 0 - 9.9-10.3 HD2 LYS 95 - QD1 LEU 69 far 0 100 0 - 10.0-12.5 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 3.2-3.2 3.2=100 HB3 GLN 68 - QD1 LEU 69 far 0 76 0 - 5.8-6.6 HB2 GLU 97 - QD1 LEU 69 far 0 73 0 - 7.4-9.6 Violated in 0 structures by 0.00 A. Peak 2211 from aliabs.peaks (1.51, 1.01, 23.36 ppm; 3.27 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 58 60 100 97 2.3-2.8 2.1/11039=62...(18) HB3 LEU 42 - QD1 LEU 69 far 0 60 0 - 4.3-5.0 HB2 LEU 49 - QD1 LEU 69 far 0 85 0 - 5.2-5.9 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): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 69 + QD1 LEU 69 OK 100 100 100 100 1.9-2.0 2.1=100 QD2 LEU 70 - QD1 LEU 69 far 0 98 0 - 4.2-4.7 QG1 VAL 133 - QD1 LEU 69 far 0 65 0 - 5.9-6.4 QD2 LEU 48 - QD1 LEU 69 far 0 60 0 - 6.8-7.8 QD2 LEU 123 - QD1 LEU 69 far 0 90 0 - 9.1-9.5 QD2 LEU 98 - QD1 LEU 69 far 0 90 0 - 9.4-11.1 QG1 VAL 118 - QD1 LEU 69 far 0 65 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 2214 from aliabs.peaks (8.46, 1.01, 23.36 ppm; 4.59 A increased from 4.32 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 70 + QD1 LEU 69 OK 100 100 100 100 4.3-4.5 6944=86, 6941/3.2=76...(11) H ASP 47 + QD1 LEU 69 OK 99 99 100 99 4.6-5.0 3.7/11046=73...(11) H VAL 93 - QD1 LEU 69 far 0 63 0 - 6.9-7.4 H VAL 132 - QD1 LEU 69 far 0 99 0 - 7.6-8.0 H LEU 100 - QD1 LEU 69 far 0 76 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 2215 from aliabs.peaks (8.30, 0.87, 27.95 ppm; 4.27 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.3-2.8 4.9=65, 6928/2.1=56...(19) H LEU 49 + QD2 LEU 69 OK 94 100 100 94 3.3-3.7 1455/11054=45...(12) H TYR 72 - QD2 LEU 69 far 0 76 0 - 5.3-5.5 H LEU 43 - QD2 LEU 69 far 0 97 0 - 5.9-6.7 H VAL 126 - QD2 LEU 69 far 0 85 0 - 6.1-6.5 H ASP 131 - QD2 LEU 69 far 0 68 0 - 8.1-8.8 H LEU 96 - QD2 LEU 69 far 0 76 0 - 8.6-8.9 H GLU 40 - QD2 LEU 69 far 0 97 0 - 9.7-10.4 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 4 assignments used, quality = 1.00: * HA LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.4-2.6 3.9=100 HA ASP 47 - QD2 LEU 69 far 0 97 0 - 5.4-5.6 HA CYS 73 - QD2 LEU 69 far 0 60 0 - 6.4-6.9 HA CYS 125 - QD2 LEU 69 far 0 99 0 - 8.6-9.0 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 5 assignments used, quality = 1.00: * HB2 LEU 69 + QD2 LEU 69 OK 100 100 100 100 3.2-3.2 3.0=100 HG LEU 43 - QD2 LEU 69 far 0 99 0 - 7.2-8.0 HB2 LEU 123 - QD2 LEU 69 far 0 100 0 - 8.8-9.8 HD3 LYS 36 - QD2 LEU 69 far 0 97 0 - 9.4-11.0 HG LEU 62 - QD2 LEU 69 far 0 100 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 2218 from aliabs.peaks (2.16, 0.87, 27.95 ppm; 3.91 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.1-2.2 3.0=100 HB3 GLN 68 - QD2 LEU 69 far 8 76 10 - 4.3-5.0 HB2 GLU 97 - QD2 LEU 69 far 0 73 0 - 8.2-10.4 Violated in 0 structures by 0.00 A. Peak 2219 from aliabs.peaks (1.51, 0.87, 27.95 ppm; 3.36 A): 2 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 60 85 80 88 3.2-4.3 1.8/11048=26...(20) HG LEU 42 - QD2 LEU 69 far 6 60 10 - 3.9-4.5 HB3 LEU 42 - QD2 LEU 69 far 0 60 0 - 5.7-6.5 HB2 LEU 53 - QD2 LEU 69 far 0 99 0 - 9.0-10.5 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 1 assignment used, quality = 1.00: * QD1 LEU 69 + QD2 LEU 69 OK 100 100 100 100 1.9-2.0 2.1=100 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 4.4-4.6 6941/3.0=77, 6944/2.1=68...(12) H ASP 47 + QD2 LEU 69 OK 98 99 100 99 3.9-4.2 3.6/11054=70...(11) H VAL 93 - QD2 LEU 69 far 0 63 0 - 9.1-9.6 H LEU 100 - QD2 LEU 69 far 0 76 0 - 9.2-9.6 H VAL 132 - QD2 LEU 69 far 0 99 0 - 9.6-10.1 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 3 assignments used, quality = 1.00: * H LEU 70 + HA LEU 70 OK 100 100 100 100 2.8-2.8 2.9=100 H VAL 93 - HA LEU 70 far 0 63 0 - 7.6-8.1 H LEU 100 - HA LEU 70 far 0 76 0 - 8.6-9.3 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 2.7-2.8 3.0=100 HB3 LEU 70 + HA LEU 70 OK 98 98 100 100 2.9-3.0 3.0=100 HG LEU 98 - HA LEU 70 far 0 100 0 - 9.8-11.6 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 4 assignments used, quality = 1.00: * HB3 LEU 70 + HA LEU 70 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 LEU 70 + HA LEU 70 OK 98 98 100 100 2.7-2.8 3.0=100 HG3 ARG 90 - HA LEU 70 far 0 76 0 - 7.2-10.7 HG LEU 98 - HA LEU 70 far 0 100 0 - 9.8-11.6 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 3.6-3.7 3.7=100 HG LEU 122 - HA LEU 70 far 0 99 0 - 8.6-11.7 HB2 LEU 122 - HA LEU 70 far 0 100 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 2228 from aliabs.peaks (0.81, 3.88, 58.34 ppm; 3.86 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 70 + HA LEU 70 OK 100 100 100 100 2.4-3.0 3.8=100 QG2 ILE 129 - HA LEU 70 far 0 96 0 - 5.4-6.4 QD1 LEU 122 - HA LEU 70 far 0 99 0 - 6.3-8.6 QD2 LEU 49 - HA LEU 70 far 0 92 0 - 7.0-7.3 QD2 LEU 122 - HA LEU 70 far 0 68 0 - 7.0-9.2 QD1 LEU 53 - HA LEU 70 far 0 85 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 2229 from aliabs.peaks (0.86, 3.88, 58.34 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 70 + HA LEU 70 OK 100 100 100 100 1.8-2.1 2269=100, 2.1/2261=62...(18) QD2 LEU 69 - HA LEU 70 far 0 98 0 - 6.0-6.1 QD2 LEU 98 - HA LEU 70 far 0 71 0 - 7.7-10.2 QD1 LEU 98 - HA LEU 70 far 0 100 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 2230 from aliabs.peaks (8.13, 3.88, 58.34 ppm; 6.42 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 71 + HA LEU 70 OK 100 100 100 100 3.6-3.6 3.6=100 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 3.1-3.7 6989=100, 3.8/2233=97...(20) 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 2.0-2.6 1.8/2233=81...(16) HB2 TYR 76 - HA LEU 70 far 0 71 0 - 7.4-8.3 HB2 CYS 125 - HA LEU 70 far 0 99 0 - 8.2-10.2 Violated in 0 structures by 0.00 A. Peak 2233 from aliabs.peaks (3.31, 3.88, 58.34 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HB3 CYS 73 + HA LEU 70 OK 100 100 100 100 3.5-4.2 1.8/2232=73, 2330=56...(17) HB3 PHE 89 - HA LEU 70 far 0 60 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 2234 from aliabs.peaks (4.21, 1.71, 41.52 ppm; 4.77 A): 2 out of 4 assignments used, quality = 1.00: * HA HIS 67 + HB2 LEU 70 OK 100 100 100 100 4.1-4.7 11089/3.2=79...(17) HA HIS 67 + HB3 LEU 70 OK 94 94 100 100 2.6-3.1 11089/3.2=79...(18) HB THR 25 - HB2 LEU 70 far 0 87 0 - 7.3-26.1 HB THR 25 - HB3 LEU 70 far 0 77 0 - 8.7-27.3 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 5 assignments used, quality = 1.00: * H LEU 70 + HB2 LEU 70 OK 100 100 100 100 3.4-3.5 3.2=100 H LEU 70 + HB3 LEU 70 OK 94 94 100 100 2.1-2.2 3.2=100 H LEU 100 - HB3 LEU 70 far 0 66 0 - 7.7-8.6 H LEU 100 - HB2 LEU 70 far 0 76 0 - 8.5-9.2 H VAL 93 - HB2 LEU 70 far 0 63 0 - 9.7-10.3 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 6 assignments used, quality = 1.00: * HA LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.7-2.8 3.0=100 HA LEU 70 + HB3 LEU 70 OK 94 94 100 100 2.9-3.0 3.0=100 HA3 GLY 75 - HB2 LEU 70 far 0 96 0 - 7.9-8.5 HA3 GLY 75 - HB3 LEU 70 far 0 87 0 - 9.0-9.5 HB2 SER 94 - HB2 LEU 70 far 0 87 0 - 9.0-10.6 HA ALA 46 - HB3 LEU 70 far 0 88 0 - 9.4-9.7 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 7 assignments used, quality = 1.00: * HG LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.5-2.7 3.0=100 HG LEU 70 + HB3 LEU 70 OK 94 94 100 100 2.2-2.4 3.0=100 HG LEU 122 - HB3 LEU 70 far 0 92 0 - 7.9-11.3 HB2 LEU 122 - HB3 LEU 70 far 0 94 0 - 8.7-9.6 HG LEU 122 - HB2 LEU 70 far 0 99 0 - 9.3-12.5 HB2 LEU 122 - HB2 LEU 70 far 0 100 0 - 9.8-10.9 HG3 ARG 23 - HB2 LEU 70 far 0 99 0 - 10.0-27.7 Violated in 0 structures by 0.00 A. Peak 2240 from aliabs.peaks (0.81, 1.71, 41.52 ppm; 3.92 A): 2 out of 11 assignments used, quality = 1.00: * QD1 LEU 70 + HB2 LEU 70 OK 100 100 100 100 1.9-2.2 3.2=100 QD1 LEU 70 + HB3 LEU 70 OK 94 94 100 100 3.0-3.2 3.2=100 QD1 LEU 122 - HB3 LEU 70 far 0 92 0 - 6.0-8.3 QD2 LEU 49 - HB3 LEU 70 far 0 82 0 - 6.5-7.0 QD2 LEU 122 - HB3 LEU 70 far 0 59 0 - 6.9-8.5 QD1 LEU 122 - HB2 LEU 70 far 0 99 0 - 7.2-9.4 QG2 ILE 129 - HB3 LEU 70 far 0 87 0 - 7.7-8.7 QG2 ILE 129 - HB2 LEU 70 far 0 96 0 - 7.7-8.6 QD2 LEU 122 - HB2 LEU 70 far 0 68 0 - 7.8-9.7 QD2 LEU 49 - HB2 LEU 70 far 0 92 0 - 7.9-8.2 QD1 LEU 53 - HB3 LEU 70 far 0 75 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 2241 from aliabs.peaks (0.86, 1.71, 41.52 ppm; 3.93 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 70 + HB2 LEU 70 OK 100 100 100 100 3.1-3.2 3.2=100 QD2 LEU 70 + HB3 LEU 70 OK 94 94 100 100 2.5-2.8 3.2=100 QD2 LEU 69 - HB3 LEU 70 far 0 90 0 - 6.0-6.4 QD2 LEU 69 - HB2 LEU 70 far 0 98 0 - 7.2-7.5 QD2 LEU 98 - HB2 LEU 70 far 0 71 0 - 7.6-10.6 QD2 LEU 98 - HB3 LEU 70 far 0 62 0 - 7.9-10.7 QD1 LEU 98 - HB2 LEU 70 far 0 100 0 - 8.9-10.8 QD1 LEU 98 - HB3 LEU 70 far 0 94 0 - 9.1-10.7 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 2 assignments used, quality = 1.00: * H ASP 71 + HB2 LEU 70 OK 100 100 100 100 2.8-3.0 4.3=100 H ASP 71 + HB3 LEU 70 OK 94 94 100 100 2.5-2.9 4.3=100 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 4 assignments used, quality = 1.00: * HA HIS 67 + HB3 LEU 70 OK 100 100 100 100 2.6-3.1 11089/3.2=79...(18) HA HIS 67 + HB2 LEU 70 OK 94 94 100 100 4.1-4.7 11089/3.2=79...(17) HB THR 25 - HB2 LEU 70 far 0 77 0 - 7.3-26.1 HB THR 25 - HB3 LEU 70 far 0 87 0 - 8.7-27.3 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 5 assignments used, quality = 1.00: * H LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.1-2.2 3.2=100 H LEU 70 + HB2 LEU 70 OK 94 94 100 100 3.4-3.5 3.2=100 H LEU 100 - HB3 LEU 70 far 0 76 0 - 7.7-8.6 H LEU 100 - HB2 LEU 70 far 0 66 0 - 8.5-9.2 H VAL 93 - HB2 LEU 70 far 0 54 0 - 9.7-10.3 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 6 assignments used, quality = 1.00: * HA LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.9-3.0 3.0=100 HA LEU 70 + HB2 LEU 70 OK 94 94 100 100 2.7-2.8 3.0=100 HA3 GLY 75 - HB2 LEU 70 far 0 87 0 - 7.9-8.5 HA3 GLY 75 - HB3 LEU 70 far 0 96 0 - 9.0-9.5 HB2 SER 94 - HB2 LEU 70 far 0 77 0 - 9.0-10.6 HA ALA 46 - HB3 LEU 70 far 0 97 0 - 9.4-9.7 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 7 assignments used, quality = 1.00: * HG LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.2-2.4 3.0=100 HG LEU 70 + HB2 LEU 70 OK 94 94 100 100 2.5-2.7 3.0=100 HG LEU 122 - HB3 LEU 70 far 0 99 0 - 7.9-11.3 HB2 LEU 122 - HB3 LEU 70 far 0 100 0 - 8.7-9.6 HG LEU 122 - HB2 LEU 70 far 0 92 0 - 9.3-12.5 HB2 LEU 122 - HB2 LEU 70 far 0 94 0 - 9.8-10.9 HG3 ARG 23 - HB2 LEU 70 far 0 91 0 - 10.0-27.7 Violated in 0 structures by 0.00 A. Peak 2249 from aliabs.peaks (0.81, 1.71, 41.52 ppm; 3.92 A): 2 out of 11 assignments used, quality = 1.00: * QD1 LEU 70 + HB3 LEU 70 OK 100 100 100 100 3.0-3.2 3.2=100 QD1 LEU 70 + HB2 LEU 70 OK 94 94 100 100 1.9-2.2 3.2=100 QD1 LEU 122 - HB3 LEU 70 far 0 99 0 - 6.0-8.3 QD2 LEU 49 - HB3 LEU 70 far 0 92 0 - 6.5-7.0 QD2 LEU 122 - HB3 LEU 70 far 0 68 0 - 6.9-8.5 QD1 LEU 122 - HB2 LEU 70 far 0 92 0 - 7.2-9.4 QG2 ILE 129 - HB3 LEU 70 far 0 96 0 - 7.7-8.7 QG2 ILE 129 - HB2 LEU 70 far 0 87 0 - 7.7-8.6 QD2 LEU 122 - HB2 LEU 70 far 0 59 0 - 7.8-9.7 QD2 LEU 49 - HB2 LEU 70 far 0 82 0 - 7.9-8.2 QD1 LEU 53 - HB3 LEU 70 far 0 85 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 2250 from aliabs.peaks (0.86, 1.71, 41.52 ppm; 3.93 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.5-2.8 3.2=100 QD2 LEU 70 + HB2 LEU 70 OK 94 94 100 100 3.1-3.2 3.2=100 QD2 LEU 69 - HB3 LEU 70 far 0 98 0 - 6.0-6.4 QD2 LEU 69 - HB2 LEU 70 far 0 90 0 - 7.2-7.5 QD2 LEU 98 - HB2 LEU 70 far 0 62 0 - 7.6-10.6 QD2 LEU 98 - HB3 LEU 70 far 0 71 0 - 7.9-10.7 QD1 LEU 98 - HB2 LEU 70 far 0 94 0 - 8.9-10.8 QD1 LEU 98 - HB3 LEU 70 far 0 100 0 - 9.1-10.7 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 2 assignments used, quality = 1.00: * H ASP 71 + HB3 LEU 70 OK 100 100 100 100 2.5-2.9 4.3=100 H ASP 71 + HB2 LEU 70 OK 94 94 100 100 2.8-3.0 4.3=100 Violated in 0 structures by 0.00 A. Peak 2253 from aliabs.peaks (3.88, 1.61, 27.00 ppm; 5.14 A): 2 out of 14 assignments used, quality = 1.00: * HA LEU 70 + HG LEU 70 OK 100 100 100 100 3.6-3.7 3.7=100 HA2 GLY 114 + HG LEU 119 OK 55 92 60 100 5.0-6.7 10163/2.1=85, ~10160=58...(9) HB2 SER 33 - HG3 ARG 23 far 3 61 5 - 3.8-19.4 HA LEU 123 - HG LEU 122 far 3 52 5 - 4.1-6.6 HD2 PRO 117 - HG LEU 119 far 0 60 0 - 6.6-7.2 HA3 GLY 75 - HG3 ARG 23 far 0 89 0 - 8.2-22.2 HB2 SER 94 - HG LEU 70 far 0 87 0 - 8.6-10.0 HA LEU 70 - HG LEU 122 far 0 97 0 - 8.6-11.7 HA ALA 46 - HG LEU 122 far 0 92 0 - 8.7-10.7 HA LEU 123 - HG LEU 119 far 0 48 0 - 8.8-9.7 HB2 SER 60 - HG LEU 119 far 0 55 0 - 9.2-11.4 HA2 GLY 114 - HG LEU 122 far 0 97 0 - 9.3-12.8 HB3 SER 50 - HG LEU 122 far 0 97 0 - 9.4-11.4 HB3 SER 60 - HG LEU 119 far 0 55 0 - 9.6-11.2 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 7 assignments used, quality = 1.00: * HB2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.5-2.7 3.0=100 HB3 LEU 70 + HG LEU 70 OK 98 98 100 100 2.2-2.4 3.0=100 HG LEU 98 - HG LEU 70 far 0 100 0 - 7.8-10.1 HG LEU 98 - HG LEU 122 far 0 96 0 - 7.9-11.1 HB3 LEU 70 - HG LEU 122 far 0 94 0 - 7.9-11.3 HB2 LEU 70 - HG LEU 122 far 0 97 0 - 9.3-12.5 HB2 LEU 70 - HG3 ARG 23 far 0 96 0 - 10.0-27.7 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 12 assignments used, quality = 1.00: * HB3 LEU 70 + HG LEU 70 OK 100 100 100 100 2.2-2.4 3.0=100 HB2 LEU 70 + HG LEU 70 OK 98 98 100 100 2.5-2.7 3.0=100 HB2 LYS 31 - HG3 ARG 23 far 0 53 0 - 5.3-18.1 HB2 LYS 19 - HG LEU 22 far 0 45 0 - 6.8-10.9 HB2 LYS 31 - HG LEU 22 far 0 45 0 - 7.0-21.8 HB2 LYS 19 - HG3 ARG 23 far 0 53 0 - 7.2-12.4 HG LEU 98 - HG LEU 70 far 0 100 0 - 7.8-10.1 HG LEU 98 - HG LEU 122 far 0 96 0 - 7.9-11.1 HB3 LEU 70 - HG LEU 122 far 0 97 0 - 7.9-11.3 HB2 LEU 70 - HG LEU 122 far 0 94 0 - 9.3-12.5 HG3 ARG 90 - HG LEU 70 far 0 76 0 - 9.4-12.9 HB2 LEU 70 - HG3 ARG 23 far 0 92 0 - 10.0-27.7 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): 5 out of 24 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 QD2 LEU 49 - HG LEU 122 far 13 86 15 - 2.9-4.5 QD1 LEU 53 - HG LEU 122 far 0 79 0 - 4.2-5.8 QD2 LEU 122 - HG LEU 119 far 0 57 0 - 4.3-7.5 QD2 LEU 119 - HG LEU 122 far 0 70 0 - 5.4-7.1 QD1 LEU 122 - HG LEU 70 far 0 99 0 - 5.5-7.8 QD2 LEU 22 - HG3 ARG 23 far 0 53 0 - 5.5-8.3 QD1 LEU 122 - HG LEU 119 far 0 90 0 - 5.6-8.1 QD1 LEU 53 - HG LEU 119 far 0 73 0 - 5.7-7.3 QG2 ILE 32 - HG3 ARG 23 far 0 58 0 - 5.8-14.6 QD2 LEU 122 - HG LEU 70 far 0 68 0 - 5.9-7.9 QD2 LEU 49 - HG LEU 70 far 0 92 0 - 6.6-7.4 QD1 LEU 70 - HG LEU 122 far 0 97 0 - 7.4-9.6 QD2 LEU 49 - HG LEU 119 far 0 80 0 - 7.6-8.0 QG2 ILE 129 - HG LEU 70 far 0 96 0 - 8.0-8.8 QD1 LEU 70 - HG3 ARG 23 far 0 96 0 - 8.3-24.0 QG2 ILE 32 - HG LEU 22 far 0 50 0 - 8.7-16.6 QG2 ILE 80 - HG3 ARG 23 far 0 95 0 - 9.1-23.9 QG2 ILE 129 - HG LEU 122 far 0 90 0 - 9.2-10.8 QD1 LEU 53 - HG LEU 70 far 0 85 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 2258 from aliabs.peaks (0.86, 1.61, 27.00 ppm; 4.46 A): 2 out of 16 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 far 0 97 0 - 5.2-7.6 QD2 LEU 123 - HG LEU 122 far 0 65 0 - 5.4-8.4 QD2 LEU 22 - HG3 ARG 23 far 0 83 0 - 5.5-8.3 QG2 ILE 32 - HG3 ARG 23 far 0 79 0 - 5.8-14.6 QD2 LEU 98 - HG LEU 70 far 0 71 0 - 6.0-8.9 QG2 VAL 57 - HG LEU 119 far 0 92 0 - 6.0-7.2 QD2 LEU 69 - HG LEU 122 far 0 94 0 - 6.7-8.7 QD2 LEU 123 - HG LEU 119 far 0 60 0 - 7.1-8.0 QD2 LEU 69 - HG LEU 70 far 0 98 0 - 7.1-7.7 QD1 LEU 98 - HG LEU 70 far 0 100 0 - 7.2-8.9 QD1 LEU 98 - HG LEU 122 far 0 97 0 - 7.7-10.0 QD2 LEU 98 - HG LEU 122 far 0 65 0 - 8.0-9.8 QG2 VAL 57 - HG LEU 122 far 0 97 0 - 8.3-9.6 QG2 ILE 32 - HG LEU 22 far 0 69 0 - 8.7-16.6 Violated in 0 structures by 0.00 A. Peak 2260 from aliabs.peaks (8.46, 0.81, 25.48 ppm; 3.90 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 70 + QD1 LEU 70 OK 100 100 100 100 4.1-4.3 2268/2.1=79, 4.3=73...(22) H LEU 100 + QD1 LEU 122 OK 62 67 95 98 2.0-5.1 10026=32, 4.5/11702=32...(29) H LEU 70 - QD1 LEU 122 far 0 95 0 - 5.6-7.4 H LEU 100 - QD1 LEU 70 far 0 76 0 - 6.0-6.5 H VAL 93 - QD1 LEU 70 far 0 63 0 - 6.4-7.4 H VAL 93 - QD1 LEU 122 far 0 55 0 - 7.3-10.4 H ASP 47 - QD1 LEU 122 far 0 92 0 - 8.5-11.0 H ALA 12 - QD1 LEU 70 far 0 93 0 - 9.5-28.0 Violated in 1 structures by 0.01 A. Peak 2261 from aliabs.peaks (3.88, 0.81, 25.48 ppm; 3.65 A): 1 out of 13 assignments used, quality = 1.00: * HA LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.4-3.0 2228=91, 2269/2.1=81...(20) HA LEU 123 - QD1 LEU 122 far 2 50 5 - 2.5-5.8 HB2 SER 94 - QD1 LEU 70 far 0 87 0 - 5.4-6.7 HA LEU 70 - QD1 LEU 122 far 0 95 0 - 6.3-8.6 HB3 SER 50 - QD1 LEU 122 far 0 95 0 - 6.3-9.4 HA ALA 46 - QD1 LEU 122 far 0 89 0 - 6.4-8.4 HA3 GLY 75 - QD1 LEU 70 far 0 96 0 - 7.3-8.2 HB3 SER 60 - QD1 LEU 122 far 0 58 0 - 8.3-11.8 HB2 SER 94 - QD1 LEU 122 far 0 78 0 - 8.5-11.4 HB2 SER 60 - QD1 LEU 122 far 0 58 0 - 8.6-12.2 HA2 GLY 114 - QD1 LEU 122 far 0 95 0 - 8.7-11.4 HA ALA 46 - QD1 LEU 70 far 0 97 0 - 9.3-9.7 HD2 PRO 117 - QD1 LEU 122 far 0 62 0 - 9.7-11.4 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 7 assignments used, quality = 1.00: * HB2 LEU 70 + QD1 LEU 70 OK 100 100 100 100 1.9-2.2 3.2=100 HB3 LEU 70 + QD1 LEU 70 OK 98 98 100 100 3.0-3.2 3.2=100 HG LEU 98 - QD1 LEU 122 far 0 94 0 - 4.8-10.2 HG LEU 98 - QD1 LEU 70 far 0 100 0 - 6.0-7.6 HB3 LEU 70 - QD1 LEU 122 far 0 91 0 - 6.0-8.3 HB2 LEU 70 - QD1 LEU 122 far 0 95 0 - 7.2-9.4 HG LEU 48 - QD1 LEU 122 far 0 92 0 - 9.3-12.2 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 9 assignments used, quality = 1.00: * HB3 LEU 70 + QD1 LEU 70 OK 100 100 100 100 3.0-3.2 3.2=100 HB2 LEU 70 + QD1 LEU 70 OK 98 98 100 100 1.9-2.2 3.2=100 HG LEU 98 - QD1 LEU 122 far 0 94 0 - 4.8-10.2 HG3 ARG 90 - QD1 LEU 70 far 0 76 0 - 5.9-9.1 HG LEU 98 - QD1 LEU 70 far 0 100 0 - 6.0-7.6 HB3 LEU 70 - QD1 LEU 122 far 0 95 0 - 6.0-8.3 HB2 LEU 70 - QD1 LEU 122 far 0 91 0 - 7.2-9.4 HB2 LYS 19 - QD1 LEU 70 far 0 60 0 - 8.2-31.7 HG LEU 48 - QD1 LEU 122 far 0 95 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 2264 from aliabs.peaks (1.61, 0.81, 25.48 ppm; 3.13 A): 3 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 1.9-2.8 3.1=98, 4.3/3899=19...(22) HG LEU 122 + QD1 LEU 122 OK 92 92 100 100 2.1-2.1 2.1=100 HG LEU 70 - QD1 LEU 122 far 0 95 0 - 5.5-7.8 HG LEU 119 - QD1 LEU 122 far 0 90 0 - 5.6-8.1 HB2 LEU 122 - QD1 LEU 70 far 0 100 0 - 7.3-8.7 HG LEU 122 - QD1 LEU 70 far 0 99 0 - 7.4-9.6 HG3 ARG 23 - QD1 LEU 70 far 0 99 0 - 8.3-24.0 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): 1 out of 11 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 far 0 95 0 - 3.5-5.6 QD2 LEU 123 - QD1 LEU 122 far 0 62 0 - 4.4-7.2 QD2 LEU 98 - QD1 LEU 70 far 0 71 0 - 4.5-7.0 QD1 LEU 98 - QD1 LEU 122 far 0 95 0 - 5.0-9.2 QD2 LEU 69 - QD1 LEU 122 far 0 91 0 - 5.1-6.8 QD2 LEU 98 - QD1 LEU 122 far 0 62 0 - 5.4-8.3 QD1 LEU 98 - QD1 LEU 70 far 0 100 0 - 5.7-7.4 QG2 VAL 57 - QD1 LEU 122 far 0 95 0 - 6.5-9.2 QD2 LEU 69 - QD1 LEU 70 far 0 98 0 - 6.8-7.1 QD2 LEU 22 - QD1 LEU 70 far 0 90 0 - 9.1-21.9 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 4 assignments used, quality = 1.00: * H ASP 71 + QD1 LEU 70 OK 100 100 100 100 4.3-4.5 6964=100, 6965/2.1=97...(22) H ASN 121 + QD1 LEU 122 OK 86 86 100 100 4.5-6.5 3.8/11092=71...(13) H ASP 71 - QD1 LEU 122 far 0 95 0 - 7.9-9.7 H GLU 91 - QD1 LEU 70 far 0 96 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 2268 from aliabs.peaks (8.46, 0.86, 25.01 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.3-2.8 2.9/2269=64, 2260/2.1=46...(21) H LEU 100 - QD2 LEU 70 far 0 76 0 - 4.7-5.4 H VAL 93 - QD2 LEU 70 far 0 63 0 - 6.0-6.5 H ASP 47 - QD2 LEU 70 far 0 99 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 2269 from aliabs.peaks (3.88, 0.86, 25.01 ppm; 3.10 A): 1 out of 5 assignments used, quality = 0.99: * HA LEU 70 + QD2 LEU 70 OK 99 100 100 99 1.8-2.1 2229=72, 2261/2.1=50...(18) HB2 SER 94 - QD2 LEU 70 far 0 87 0 - 6.5-7.0 HA ALA 46 - QD2 LEU 70 far 0 97 0 - 6.9-7.3 HA LEU 123 - QD2 LEU 70 far 0 57 0 - 8.2-9.1 HA3 GLY 75 - QD2 LEU 70 far 0 96 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 2270 from aliabs.peaks (1.71, 0.86, 25.01 ppm; 3.32 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 70 + QD2 LEU 70 OK 100 100 100 100 3.1-3.2 3.2=100 HB3 LEU 70 + QD2 LEU 70 OK 98 98 100 100 2.5-2.8 3.2=100 HG LEU 98 - QD2 LEU 70 far 0 100 0 - 6.4-8.0 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 4 assignments used, quality = 1.00: * HB3 LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.5-2.8 3.2=100 HB2 LEU 70 + QD2 LEU 70 OK 98 98 100 100 3.1-3.2 3.2=100 HG LEU 98 - QD2 LEU 70 far 0 100 0 - 6.4-8.0 HG3 ARG 90 - QD2 LEU 70 far 0 76 0 - 6.8-9.6 Violated in 0 structures by 0.00 A. Peak 2272 from aliabs.peaks (1.61, 0.86, 25.01 ppm; 3.12 A): 1 out of 3 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 far 0 99 0 - 5.2-7.6 HB2 LEU 122 - QD2 LEU 70 far 0 100 0 - 5.2-6.4 Violated in 0 structures by 0.00 A. Peak 2273 from aliabs.peaks (0.81, 0.86, 25.01 ppm; 2.50 A): 1 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 far 0 99 0 - 3.5-5.6 QD2 LEU 122 - QD2 LEU 70 far 0 68 0 - 4.0-5.9 QD2 LEU 49 - QD2 LEU 70 far 0 92 0 - 4.6-4.9 QG2 ILE 129 - QD2 LEU 70 far 0 96 0 - 4.9-5.7 QD1 LEU 53 - QD2 LEU 70 far 0 85 0 - 7.2-8.6 QG1 VAL 133 - QD2 LEU 70 far 0 65 0 - 9.9-10.4 QD2 LEU 119 - QD2 LEU 70 far 0 76 0 - 9.9-10.6 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 2 assignments used, quality = 1.00: * H ASP 71 + QD2 LEU 70 OK 100 100 100 100 4.2-4.4 6965=100, 3.6/2269=86...(20) H GLU 91 - QD2 LEU 70 far 0 96 0 - 9.0-9.6 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 1 assignment used, quality = 1.00: * H ASP 71 + HA ASP 71 OK 100 100 100 100 2.7-2.8 2.8=100 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 2.4-2.8 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 2 assignments used, quality = 1.00: * HB3 ASP 71 + HA ASP 71 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 ASN 13 - HA ASP 71 far 0 97 0 - 7.0-32.8 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 3.5-3.6 3.6=100 H LEU 69 - HA ASP 71 far 0 76 0 - 7.1-7.3 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 2 assignments used, quality = 0.66: * HB2 SER 74 + HA ASP 71 OK 46 100 55 84 3.4-5.8 2341=56, 3.9/7004=44...(4) HB3 SER 74 + HA ASP 71 OK 37 100 45 83 3.3-5.9 2341=44, 3.9/7004=44...(4) Violated in 5 structures by 0.01 A. Peak 2283 from aliabs.peaks (4.06, 4.42, 57.33 ppm; 4.02 A): 2 out of 2 assignments used, quality = 0.66: HB2 SER 74 + HA ASP 71 OK 46 100 55 84 3.4-5.8 2341=55, 3.9/7004=44...(4) * HB3 SER 74 + HA ASP 71 OK 37 100 45 83 3.3-5.9 2341=44, 3.9/7004=44...(4) Violated in 5 structures by 0.01 A. Peak 2284 from aliabs.peaks (4.00, 2.61, 39.26 ppm; 4.49 A increased from 4.23 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 68 + HB2 ASP 71 OK 100 100 100 100 3.8-4.4 2128=100, 2129/1.8=92...(13) HA ILE 37 - HB2 ASP 71 far 0 87 0 - 7.5-10.3 Violated in 0 structures by 0.00 A. Peak 2285 from aliabs.peaks (8.13, 2.61, 39.26 ppm; 4.97 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 71 + HB2 ASP 71 OK 100 100 100 100 2.4-3.5 4.0=100 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 2.4-2.8 3.0=100 HA SER 33 - HB2 ASP 71 far 0 73 0 - 7.1-10.6 HA MET 11 - HB2 ASP 71 far 0 100 0 - 9.9-37.4 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 - 6.1-33.4 Violated in 0 structures by 0.00 A. Peak 2289 from aliabs.peaks (8.32, 2.61, 39.26 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 72 + HB2 ASP 71 OK 100 100 100 100 3.1-4.0 4.6=100 H LEU 69 - HB2 ASP 71 far 0 76 0 - 6.3-6.8 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 2 assignments used, quality = 1.00: * HA GLN 68 + HB3 ASP 71 OK 100 100 100 100 2.8-3.5 2129=100, 2128/1.8=70...(13) HA ILE 37 - HB3 ASP 71 far 0 87 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 2291 from aliabs.peaks (8.13, 2.81, 39.26 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 71 + HB3 ASP 71 OK 100 100 100 100 2.1-2.6 4.0=100 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 2 assignments used, quality = 1.00: * HA ASP 71 + HB3 ASP 71 OK 100 100 100 100 2.9-3.0 3.0=100 HA SER 33 - HB3 ASP 71 far 0 73 0 - 8.7-10.0 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 2.5-3.2 4.6=100 H LEU 69 + HB3 ASP 71 OK 45 76 60 98 5.3-5.7 3.6/2129=76...(8) 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 2.9-2.9 2.9=100 H LEU 69 - HA TYR 72 far 0 76 0 - 7.5-7.8 H GLU 44 - HA TYR 72 far 0 97 0 - 9.6-10.3 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 2.4-3.0 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 2.4-3.0 3.0=100 HB2 HIS 67 - HA TYR 72 far 0 100 0 - 9.6-11.6 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 1 assignment used, quality = 1.00: * QD TYR 72 + HA TYR 72 OK 100 100 100 100 2.0-2.6 3.4=100 Violated in 0 structures by 0.00 A. Peak 2301 from aliabs.peaks (6.80, 4.54, 60.34 ppm; 4.76 A increased from 4.48 A): 1 out of 2 assignments used, quality = 1.00: * QE TYR 72 + HA TYR 72 OK 100 100 100 100 4.3-4.7 5.2=76, 10840/10749=59...(12) HE21 GLN 68 - HA TYR 72 far 0 96 0 - 8.4-11.4 Violated in 0 structures by 0.00 A. Peak 2303 from aliabs.peaks (4.35, 3.02, 37.59 ppm; 5.95 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 69 + HB2 TYR 72 OK 100 100 100 100 2.6-4.9 2177=100, 2178/1.8=99...(19) HA CYS 73 + HB2 TYR 72 OK 56 60 100 93 4.2-4.8 ~6996=54, 9102/10874=43...(8) HA2 GLY 75 - HB2 TYR 72 far 0 76 0 - 7.2-8.1 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 2.3-3.6 3.8=100 H LEU 69 + HB2 TYR 72 OK 72 76 95 100 5.0-7.3 2.9/2177=89, ~2178=80...(16) H GLU 44 - HB2 TYR 72 far 0 97 0 - 7.4-8.2 H LEU 49 - HB2 TYR 72 far 0 81 0 - 9.6-11.5 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 2.4-3.0 3.0=100 HA SER 38 - HB2 TYR 72 far 0 100 0 - 6.7-9.2 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 - 8.8-11.8 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 1 assignment used, quality = 1.00: * QD TYR 72 + HB2 TYR 72 OK 100 100 100 100 2.3-2.6 2.7=100 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 2 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 0 96 0 - 6.8-10.5 Violated in 0 structures by 0.00 A. Peak 2311 from aliabs.peaks (4.35, 3.34, 37.59 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 69 + HB3 TYR 72 OK 100 100 100 100 3.2-4.8 2178=100, 11028/2.7=100...(21) HA CYS 73 + HB3 TYR 72 OK 60 60 100 99 4.1-4.8 9529/1.8=77, ~6996=68...(9) HA2 GLY 75 - HB3 TYR 72 poor 12 76 50 32 7.0-7.7 9531/2.7=23, 11140/3.0=10 Violated in 0 structures by 0.00 A. Peak 2312 from aliabs.peaks (8.32, 3.34, 37.59 ppm; 6.66 A): 2 out of 3 assignments used, quality = 1.00: * H TYR 72 + HB3 TYR 72 OK 100 100 100 100 2.7-3.6 3.8=100 H LEU 69 + HB3 TYR 72 OK 57 76 75 100 5.8-7.4 2.9/2178=98, 4.3/9514=78...(18) H GLU 44 - HB3 TYR 72 far 0 97 0 - 7.3-7.9 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 2.4-3.0 3.0=100 HA SER 38 - HB3 TYR 72 far 0 100 0 - 6.9-8.3 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 1 assignment used, quality = 1.00: * QD TYR 72 + HB3 TYR 72 OK 100 100 100 100 2.3-2.7 2.7=100 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 4 assignments used, quality = 1.00: * HB2 CYS 73 + HA CYS 73 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 TYR 76 + HA CYS 73 OK 69 71 100 97 2.2-4.3 2.6/11146=53...(14) HB3 ASP 78 - HA CYS 73 far 0 92 0 - 8.6-9.3 HB2 CYS 125 - HA CYS 73 far 0 99 0 - 9.2-12.1 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 2.5-2.6 3.0=100 HB3 PHE 89 - HA CYS 73 far 0 60 0 - 6.2-6.6 HB2 PHE 89 - HA CYS 73 far 0 99 0 - 6.9-7.1 Violated in 0 structures by 0.00 A. Peak 2324 from aliabs.peaks (3.88, 2.74, 27.42 ppm; 6.03 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 70 + HB2 CYS 73 OK 100 100 100 100 2.0-2.6 2232=100, 2233/1.8=100...(16) HA3 GLY 75 - HB2 CYS 73 far 5 96 5 - 6.6-7.0 HB2 SER 94 - HB2 CYS 73 far 0 87 0 - 7.9-8.7 HA ALA 46 - HB2 CYS 73 far 0 97 0 - 8.0-8.9 HA LYS 86 - HB2 CYS 73 far 0 99 0 - 9.6-10.3 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 2.3-2.4 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 2 assignments used, quality = 1.00: * HA CYS 73 + HB2 CYS 73 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 69 + HB2 CYS 73 OK 57 60 100 95 4.7-5.4 4.9/2232=67, 6988/3.8=41...(12) 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 HB3 PHE 89 - HB2 CYS 73 far 0 60 0 - 7.7-8.6 HB2 PHE 89 - HB2 CYS 73 far 0 99 0 - 8.4-9.3 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 5 assignments used, quality = 1.00: * HA LEU 70 + HB3 CYS 73 OK 100 100 100 100 3.5-4.2 2233=100, 2232/1.8=94...(17) HB2 SER 94 - HB3 CYS 73 far 0 87 0 - 6.9-7.8 HA3 GLY 75 - HB3 CYS 73 far 0 96 0 - 7.2-7.4 HA LYS 86 - HB3 CYS 73 far 0 99 0 - 7.9-8.7 HA ALA 46 - HB3 CYS 73 far 0 97 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 2332 from aliabs.peaks (4.38, 3.31, 27.42 ppm; 5.02 A): 1 out of 4 assignments used, quality = 1.00: * HA CYS 73 + HB3 CYS 73 OK 100 100 100 100 2.5-2.6 3.0=100 HA LEU 69 - HB3 CYS 73 far 0 60 0 - 5.9-6.5 HA ASP 78 - HB3 CYS 73 far 0 99 0 - 9.3-10.3 HA CYS 125 - HB3 CYS 73 far 0 81 0 - 9.4-10.1 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 4 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 31 71 45 96 4.6-6.7 ~11160=39, ~11137=39...(15) HB2 CYS 125 - HB3 CYS 73 far 0 99 0 - 7.9-10.1 HB3 ASP 78 - HB3 CYS 73 far 0 92 0 - 9.3-10.0 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 3.0-3.3 4.4=100 H VAL 93 + HB3 CYS 73 OK 63 71 100 89 5.1-5.5 3.9/9581=73, 3.9/9579=45...(5) Violated in 0 structures by 0.00 A. Peak 2336 from aliabs.peaks (8.41, 4.29, 61.37 ppm; 5.50 A): 1 out of 7 assignments used, quality = 1.00: * H SER 74 + HA SER 74 OK 100 100 100 100 2.8-2.9 2.9=100 H MET 11 - HA THR 18 far 0 67 0 - 7.0-24.5 H MET 11 - HA PHE 87 far 0 43 0 - 7.1-44.6 H VAL 93 - HA PHE 87 far 0 25 0 - 7.6-8.3 H VAL 93 - HA SER 74 far 0 71 0 - 7.6-8.2 H MET 11 - HA SER 74 far 0 100 0 - 8.7-36.3 H SER 74 - HA THR 25 far 0 99 0 - 8.9-20.2 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 7 assignments used, quality = 1.00: * HB2 SER 74 + HA SER 74 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 SER 74 + HA SER 74 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 74 - HA THR 25 far 0 99 0 - 6.9-20.4 HB2 SER 74 - HA THR 18 far 0 68 0 - 8.0-30.8 HB2 SER 74 - HA THR 25 far 0 99 0 - 8.1-20.4 HA ALA 92 - HA PHE 87 far 0 44 0 - 9.0-9.7 HB3 SER 74 - HA THR 18 far 0 67 0 - 9.4-30.6 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 9 assignments used, quality = 1.00: * HB3 SER 74 + HA SER 74 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 74 + HA SER 74 OK 100 100 100 100 2.2-3.0 3.0=100 HA PHE 89 - HA PHE 87 far 0 24 0 - 6.5-6.9 HB3 SER 74 - HA THR 25 far 0 99 0 - 6.9-20.4 HB2 SER 74 - HA THR 18 far 0 67 0 - 8.0-30.8 HA PHE 89 - HA SER 74 far 0 68 0 - 8.1-9.3 HB2 SER 74 - HA THR 25 far 0 99 0 - 8.1-20.4 HA ALA 92 - HA PHE 87 far 0 43 0 - 9.0-9.7 HB3 SER 74 - HA THR 18 far 0 68 0 - 9.4-30.6 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 3 assignments used, quality = 0.65: * HA ASP 71 + HB2 SER 74 OK 45 100 55 82 3.4-5.8 2282=52, 7004/3.9=42...(4) HA ASP 71 + HB3 SER 74 OK 36 99 45 80 3.3-5.9 7004/3.9=42, 2282=41...(4) HA MET 11 - HB3 SER 74 far 0 99 0 - 8.8-33.1 Violated in 9 structures by 0.04 A. Peak 2342 from aliabs.peaks (8.41, 4.05, 62.42 ppm; 5.30 A): 2 out of 5 assignments used, quality = 1.00: * H SER 74 + HB2 SER 74 OK 100 100 100 100 2.1-3.3 3.9=100 H SER 74 + HB3 SER 74 OK 99 99 100 100 2.1-3.6 3.9=100 H VAL 93 - HB2 SER 74 far 0 71 0 - 8.2-10.2 H MET 11 - HB3 SER 74 far 0 99 0 - 8.6-35.3 H VAL 93 - HB3 SER 74 far 0 69 0 - 8.8-10.2 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 21 assignments used, quality = 1.00: * HA SER 74 + HB2 SER 74 OK 100 100 100 100 2.2-3.0 3.0=100 HA SER 74 + HB3 SER 74 OK 99 99 100 100 2.3-3.0 3.0=100 HA ALA 15 - HB3 SER 74 far 5 97 5 - 3.2-35.3 HA ALA 16 - HB2 SER 74 far 5 96 5 - 3.6-35.7 HA ALA 15 - HB2 SER 74 far 0 98 0 - 4.2-35.5 HA ALA 16 - HB3 SER 74 far 0 94 0 - 4.5-35.5 HA ALA 12 - HB3 SER 74 far 0 99 0 - 6.9-32.1 HA THR 25 - HB3 SER 74 far 0 99 0 - 6.9-20.4 HA LYS 19 - HB3 SER 74 far 0 87 0 - 7.1-31.7 HA ALA 12 - HB2 SER 74 far 0 100 0 - 7.4-30.7 HA TYR 76 - HB2 SER 74 far 0 85 0 - 7.7-8.7 HA TYR 76 - HB3 SER 74 far 0 83 0 - 7.8-8.6 HA THR 18 - HB2 SER 74 far 0 99 0 - 8.0-30.8 HA THR 25 - HB2 SER 74 far 0 100 0 - 8.1-20.4 HA ALA 21 - HB2 SER 74 far 0 99 0 - 8.5-26.7 HA LYS 19 - HB2 SER 74 far 0 89 0 - 8.6-31.7 HA ARG 23 - HB3 SER 74 far 0 96 0 - 8.8-22.9 HA ALA 21 - HB3 SER 74 far 0 98 0 - 9.2-26.5 HA THR 18 - HB3 SER 74 far 0 98 0 - 9.4-30.6 HA ARG 23 - HB2 SER 74 far 0 97 0 - 9.6-22.3 HA LYS 26 - HB3 SER 74 far 0 81 0 - 10.0-18.9 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 3 assignments used, quality = 0.67: HA ASP 71 + HB2 SER 74 OK 47 99 55 85 3.4-5.8 2283=55, 7004/3.9=47...(4) * HA ASP 71 + HB3 SER 74 OK 38 100 45 84 3.3-5.9 7004/3.9=47, 2283=45...(4) HA MET 11 - HB3 SER 74 far 0 100 0 - 8.8-33.1 Violated in 0 structures by 0.00 A. Peak 2349 from aliabs.peaks (4.29, 4.06, 62.42 ppm; 3.26 A): 2 out of 21 assignments used, quality = 1.00: * HA SER 74 + HB3 SER 74 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 74 + HB2 SER 74 OK 99 99 100 100 2.2-3.0 3.0=100 HA ALA 15 - HB3 SER 74 far 5 98 5 - 3.2-35.3 HA ALA 16 - HB2 SER 74 far 5 94 5 - 3.6-35.7 HA ALA 15 - HB2 SER 74 far 0 97 0 - 4.2-35.5 HA ALA 16 - HB3 SER 74 far 0 96 0 - 4.5-35.5 HA ALA 12 - HB3 SER 74 far 0 100 0 - 6.9-32.1 HA THR 25 - HB3 SER 74 far 0 100 0 - 6.9-20.4 HA LYS 19 - HB3 SER 74 far 0 89 0 - 7.1-31.7 HA ALA 12 - HB2 SER 74 far 0 99 0 - 7.4-30.7 HA TYR 76 - HB2 SER 74 far 0 83 0 - 7.7-8.7 HA TYR 76 - HB3 SER 74 far 0 85 0 - 7.8-8.6 HA THR 18 - HB2 SER 74 far 0 98 0 - 8.0-30.8 HA THR 25 - HB2 SER 74 far 0 99 0 - 8.1-20.4 HA ALA 21 - HB2 SER 74 far 0 98 0 - 8.5-26.7 HA LYS 19 - HB2 SER 74 far 0 87 0 - 8.6-31.7 HA ARG 23 - HB3 SER 74 far 0 97 0 - 8.8-22.9 HA ALA 21 - HB3 SER 74 far 0 99 0 - 9.2-26.5 HA THR 18 - HB3 SER 74 far 0 99 0 - 9.4-30.6 HA ARG 23 - HB2 SER 74 far 0 96 0 - 9.6-22.3 HA LYS 26 - HB3 SER 74 far 0 83 0 - 10.0-18.9 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 1 assignment used, quality = 1.00: * H GLY 75 + HA2 GLY 75 OK 100 100 100 100 2.9-2.9 2.9=100 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 0 93 0 - 6.7-8.5 HA LEU 70 - HA2 GLY 75 far 0 96 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. Peak 2358 from aliabs.peaks (4.32, 3.89, 45.42 ppm; 3.30 A): 1 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 far 0 87 0 - 4.3-4.4 HA ASN 59 - HA2 GLY 114 far 0 69 0 - 7.6-10.5 HA LEU 69 - HA3 GLY 75 far 0 76 0 - 8.6-9.1 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 2.5-3.0 3.0=100 HB2 CYS 73 - HA TYR 76 far 0 71 0 - 7.6-8.3 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 4 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 - 8.1-10.3 HD3 ARG 23 - HA TYR 76 far 0 68 0 - 8.6-26.1 HD2 ARG 23 - HA TYR 76 far 0 60 0 - 9.4-25.9 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 2.6-3.1 3.1=100 QE TYR 76 + HA TYR 76 OK 68 71 100 97 4.6-4.7 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): 1 out of 2 assignments used, quality = 0.71: QD TYR 76 + HA TYR 76 OK 71 71 100 100 2.6-3.1 3.1=100 ! QE TYR 76 - HA TYR 76 poor 19 100 20 97 4.6-4.7 4.7=62, ~7030=32...(15) Violated in 0 structures by 0.00 A. Peak 2369 from aliabs.peaks (4.31, 2.76, 40.83 ppm; 3.69 A): 2 out of 7 assignments used, quality = 1.00: * HA TYR 76 + HB2 TYR 76 OK 100 100 100 100 2.5-3.0 3.0=100 HA ASP 131 + HB2 ASP 131 OK 99 99 100 100 2.6-2.7 3.0=100 HA2 GLY 75 - HB2 TYR 76 far 0 87 0 - 5.7-5.9 HA SER 74 - HB2 TYR 76 far 0 85 0 - 5.8-6.9 HA LYS 36 - HB2 TYR 76 far 0 76 0 - 9.3-11.4 HA ALA 15 - HB2 TYR 76 far 0 63 0 - 9.9-39.9 HA PRO 81 - HB2 TYR 76 far 0 83 0 - 10.0-10.5 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 10 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 6 - HB2 ASP 131 far 4 82 5 - 4.2-60.5 HB2 HIS 8 - HB2 ASP 131 far 0 84 0 - 5.2-56.0 HB2 HIS 6 - HB2 ASP 131 far 0 71 0 - 5.3-61.7 HB3 HIS 7 - HB2 ASP 131 far 0 97 0 - 6.0-58.3 HB2 HIS 7 - HB2 ASP 131 far 0 60 0 - 6.2-58.6 HD3 ARG 90 - HB2 TYR 76 far 0 57 0 - 7.1-9.4 HB2 HIS 4 - HB2 ASP 131 far 0 68 0 - 8.4-68.4 HB3 HIS 3 - HB2 ASP 131 far 0 60 0 - 9.5-72.6 HB3 CYS 45 - HB2 TYR 76 far 0 90 0 - 9.7-10.4 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 2.3-2.5 2.6=100 QE TYR 76 + HB2 TYR 76 OK 71 71 100 100 4.4-4.4 4.5=100 QE TYR 76 - HB2 ASP 131 far 0 68 0 - 9.9-10.8 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 4.4-4.4 4.5=100 QD TYR 76 + HB2 TYR 76 OK 71 71 100 100 2.3-2.5 2.6=100 QE TYR 76 - HB2 ASP 131 far 0 99 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 2376 from aliabs.peaks (4.31, 3.13, 40.83 ppm; 4.32 A): 1 out of 5 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 far 0 87 0 - 5.7-5.9 HA SER 74 - HB3 TYR 76 far 0 85 0 - 5.9-7.1 HA LYS 36 - HB3 TYR 76 far 0 76 0 - 9.1-10.9 HA ALA 15 - HB3 TYR 76 far 0 63 0 - 10.0-39.2 Violated in 0 structures by 0.00 A. Peak 2377 from aliabs.peaks (2.76, 3.13, 40.83 ppm; 4.35 A): 1 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 far 0 71 0 - 5.9-7.0 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 2.3-2.5 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, 9634/9092=42...(12) QD TYR 76 + HB3 TYR 76 OK 71 71 100 100 2.3-2.5 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 5 assignments used, quality = 1.00: * HB VAL 77 + HA VAL 77 OK 100 100 100 100 2.6-2.7 3.0=100 HG2 GLU 128 + HA ILE 129 OK 86 86 100 100 3.4-4.6 10446/9952=62...(20) HG2 GLN 127 - HA ILE 129 far 0 86 0 - 7.0-9.4 HB VAL 77 - HA ILE 129 far 0 86 0 - 7.7-8.3 HB3 GLN 134 - HA ILE 129 far 0 80 0 - 8.1-10.1 Violated in 0 structures by 0.00 A. Peak 2385 from aliabs.peaks (1.05, 3.45, 65.83 ppm; 4.36 A): 3 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 OK 76 77 100 98 4.0-4.9 11764/4213=41, 10566=41...(17) QG2 VAL 133 + HA VAL 77 OK 60 95 65 97 4.7-5.3 10588/9725=60...(14) QG1 VAL 77 - HA ILE 129 far 0 86 0 - 8.4-8.8 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 8 assignments used, quality = 1.00: * QG2 VAL 77 + HA VAL 77 OK 100 100 100 100 1.9-2.2 3.2=100 HG12 ILE 80 + HA VAL 77 OK 71 71 100 100 3.9-4.4 2.1/9725=82, 3.0/9645=37...(32) QG2 VAL 77 - HA ILE 129 far 0 86 0 - 6.3-7.0 HG12 ILE 80 - HA ILE 129 far 0 55 0 - 7.5-8.2 HG3 LYS 39 - HA VAL 77 far 0 71 0 - 8.6-10.3 HG3 LYS 39 - HA ILE 129 far 0 55 0 - 9.2-10.2 QG2 THR 25 - HA VAL 77 far 0 98 0 - 9.8-18.3 QB ALA 41 - HA VAL 77 far 0 97 0 - 9.9-10.5 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 2.6-2.7 3.0=100 HA ILE 129 - HB VAL 77 far 0 100 0 - 7.7-8.3 HA LEU 42 - HB VAL 77 far 0 85 0 - 10.0-10.5 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 - 5.8-6.3 Violated in 0 structures by 0.00 A. Peak 2392 from aliabs.peaks (1.19, 2.34, 31.42 ppm; 3.12 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 80 - HB VAL 77 far 0 71 0 - 6.2-6.7 QG2 THR 25 - HB VAL 77 far 0 98 0 - 8.4-18.1 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 - 8.4-8.8 HA LEU 42 - QG1 VAL 77 far 0 85 0 - 9.7-10.2 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 HG3 GLN 27 - QG1 VAL 77 far 0 99 0 - 9.5-17.3 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 5 assignments used, quality = 1.00: * QG2 VAL 77 + QG1 VAL 77 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 THR 25 - QG1 VAL 77 far 0 98 0 - 6.0-14.3 HG12 ILE 80 - QG1 VAL 77 far 0 71 0 - 6.3-6.6 QG2 THR 18 - QG1 VAL 77 far 0 81 0 - 7.0-23.3 QB ALA 41 - QG1 VAL 77 far 0 97 0 - 9.4-10.1 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 = 1.00: * HA VAL 77 + QG2 VAL 77 OK 100 100 100 100 1.9-2.2 3.2=84, 9725/9649=38...(23) HA ILE 129 - QG2 VAL 77 far 0 100 0 - 6.3-7.0 HA VAL 126 - QG2 VAL 77 far 0 92 0 - 9.5-10.0 HA LEU 42 - QG2 VAL 77 far 0 85 0 - 9.6-10.3 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 - 8.3-9.1 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 - 4.9-5.4 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 1 assignment used, quality = 1.00: * HB2 ASP 78 + HA ASP 78 OK 100 100 100 100 3.0-3.0 3.0=100 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 2.3-2.4 3.0=100 HB3 ASP 35 - HA ASP 78 far 0 100 0 - 10.0-13.6 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 3 assignments used, quality = 1.00: * HA ASP 78 + HB2 ASP 78 OK 100 100 100 100 3.0-3.0 3.0=100 HA CYS 73 - HB2 ASP 78 far 0 99 0 - 7.7-8.7 HA SER 33 - HB2 ASP 78 far 0 99 0 - 9.4-12.1 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 - 7.8-11.5 HB2 CYS 73 - HB2 ASP 78 far 0 92 0 - 9.3-10.0 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 5 assignments used, quality = 1.00: * HA ASP 78 + HB3 ASP 78 OK 100 100 100 100 2.3-2.4 3.0=100 HA SER 33 - HB3 ASP 35 far 0 54 0 - 5.0-5.9 HA HIS 5 - HB2 ASP 47 far 0 58 0 - 6.6-63.8 HA CYS 73 - HB3 ASP 78 far 0 99 0 - 8.6-9.3 HA ASP 78 - HB3 ASP 35 far 0 57 0 - 10.0-13.6 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 4 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 - 5.5-8.0 HB2 ASP 78 - HB3 ASP 35 far 0 57 0 - 7.8-11.5 HG3 GLN 127 - HB2 ASP 47 far 0 83 0 - 7.9-10.9 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 9 assignments used, quality = 1.00: * HB2 CYS 79 + HA CYS 79 OK 100 100 100 100 2.8-2.8 3.0=100 HB2 LEU 100 + HA GLN 101 OK 81 82 100 99 4.5-4.7 7411/2.9=70...(14) HB2 CYS 79 + HA ILE 80 OK 56 60 100 93 4.2-4.3 2427=43, ~11166=32...(14) HB3 LYS 19 - HA CYS 79 far 4 76 5 - 5.0-30.0 HB3 LYS 24 - HA CYS 79 far 0 90 0 - 6.5-22.2 HB3 ARG 23 - HA CYS 79 far 0 96 0 - 6.6-23.5 HB3 ARG 135 - HA ILE 80 far 0 53 0 - 7.4-9.3 HB3 LYS 19 - HA ILE 80 far 0 39 0 - 7.9-34.9 HB2 ARG 84 - HA ILE 80 far 0 42 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 2424 from aliabs.peaks (2.60, 4.11, 58.55 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: * HB3 CYS 79 + HA CYS 79 OK 100 100 100 100 2.9-2.9 3.0=100 HB3 CYS 79 - HA ILE 80 far 0 60 0 - 5.0-5.0 HB2 ASN 59 - HA GLN 101 far 0 82 0 - 9.7-10.8 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 2.8-2.8 3.0=100 HA ILE 80 + HB2 CYS 79 OK 71 85 100 83 4.2-4.3 2423=24, ~11166=23...(14) 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): 1 out of 2 assignments used, quality = 1.00: * HA CYS 79 + HB3 CYS 79 OK 100 100 100 100 2.9-2.9 3.0=100 HA ILE 80 - HB3 CYS 79 far 0 85 0 - 5.0-5.0 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 6 assignments used, quality = 1.00: * HB2 CYS 79 + HB3 CYS 79 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 19 - HB3 CYS 79 far 0 76 0 - 7.8-30.5 HB3 LYS 24 - HB3 CYS 79 far 0 90 0 - 8.1-21.9 HB2 LYS 36 - HB3 CYS 79 far 0 95 0 - 8.4-10.8 HB3 ARG 23 - HB3 CYS 79 far 0 96 0 - 8.7-23.4 HB ILE 32 - HB3 CYS 79 far 0 85 0 - 9.8-13.0 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 12 assignments used, quality = 1.00: * HB ILE 80 + HA ILE 80 OK 100 100 100 100 2.8-2.9 3.0=100 HB ILE 80 + HA CYS 79 OK 60 60 100 100 5.2-5.3 7073/3.6=80, 9700/2.9=69...(18) HB2 LYS 19 - HA CYS 79 far 3 57 5 - 4.5-31.4 HB2 LYS 39 - HA ILE 80 far 0 65 0 - 5.6-8.3 HD3 LYS 39 - HA ILE 80 far 0 78 0 - 6.4-9.5 HB2 ARG 23 - HA CYS 79 far 0 47 0 - 7.1-23.6 HB2 LYS 24 - HA CYS 79 far 0 56 0 - 7.8-21.0 HB2 LYS 19 - HA ILE 80 far 0 99 0 - 8.0-36.3 HG LEU 98 - HA GLN 101 far 0 32 0 - 8.4-9.8 HB3 LEU 70 - HA GLN 101 far 0 39 0 - 8.8-9.9 HB2 LYS 39 - HA CYS 79 far 0 32 0 - 9.2-12.1 HB2 ARG 23 - HA ILE 80 far 0 89 0 - 10.0-28.3 Violated in 0 structures by 0.00 A. Peak 2439 from aliabs.peaks (0.81, 4.12, 58.62 ppm; 3.96 A): 3 out of 15 assignments used, quality = 1.00: * QG2 ILE 80 + HA ILE 80 OK 100 100 100 100 2.8-3.0 3.2=100 HG13 ILE 80 + HA ILE 80 OK 100 100 100 100 1.9-2.3 4.1=93, 2.1/2472=77...(20) QG1 VAL 133 + HA ILE 80 OK 28 73 50 76 4.2-5.7 10586/4.2=21, ~11767=13...(13) QG2 ILE 80 - HA CYS 79 far 0 60 0 - 5.2-5.6 HG13 ILE 80 - HA CYS 79 far 0 60 0 - 6.2-6.6 QD2 LEU 122 - HA GLN 101 far 0 27 0 - 6.3-7.3 QD1 LEU 122 - HA GLN 101 far 0 53 0 - 6.5-8.9 QD2 LEU 22 - HA CYS 79 far 0 34 0 - 7.3-20.0 QD1 LEU 70 - HA GLN 101 far 0 56 0 - 7.3-8.0 QG2 ILE 32 - HA CYS 79 far 0 37 0 - 7.4-10.5 QG2 ILE 129 - HA ILE 80 far 0 98 0 - 7.4-7.9 QG1 VAL 133 - HA CYS 79 far 0 37 0 - 8.1-9.5 QD2 LEU 49 - HA GLN 101 far 0 43 0 - 9.1-9.8 QD2 LEU 22 - HA ILE 80 far 0 68 0 - 9.8-24.1 QD2 LEU 119 - HA GLN 101 far 0 32 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 2440 from aliabs.peaks (1.21, 4.12, 58.62 ppm; 4.71 A): 1 out of 6 assignments used, quality = 1.00: * HG12 ILE 80 + HA ILE 80 OK 100 100 100 100 2.6-3.1 4.1=100 QG2 VAL 77 - HA ILE 80 far 0 71 0 - 5.3-5.6 QG2 VAL 77 - HA CYS 79 far 0 35 0 - 6.5-6.8 HG12 ILE 80 - HA CYS 79 far 0 60 0 - 7.3-7.5 QG2 THR 83 - HA ILE 80 far 0 81 0 - 7.7-8.4 QG2 THR 83 - HA CYS 79 far 0 42 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 2441 from aliabs.peaks (0.81, 4.12, 58.62 ppm; 3.99 A): 3 out of 15 assignments used, quality = 1.00: * HG13 ILE 80 + HA ILE 80 OK 100 100 100 100 1.9-2.3 4.1=95, 2.1/2472=78...(20) QG2 ILE 80 + HA ILE 80 OK 100 100 100 100 2.8-3.0 3.2=100 QG1 VAL 133 + HA ILE 80 OK 24 65 50 75 4.2-5.7 10586/4.2=18, ~11767=13...(13) QG2 ILE 80 - HA CYS 79 far 0 60 0 - 5.2-5.6 HG13 ILE 80 - HA CYS 79 far 0 60 0 - 6.2-6.6 QD2 LEU 122 - HA GLN 101 far 0 32 0 - 6.3-7.3 QD1 LEU 122 - HA GLN 101 far 0 55 0 - 6.5-8.9 QD2 LEU 22 - HA CYS 79 far 0 29 0 - 7.3-20.0 QD1 LEU 70 - HA GLN 101 far 0 57 0 - 7.3-8.0 QG2 ILE 32 - HA CYS 79 far 0 32 0 - 7.4-10.5 QG2 ILE 129 - HA ILE 80 far 0 96 0 - 7.4-7.9 QG1 VAL 133 - HA CYS 79 far 0 32 0 - 8.1-9.5 QD2 LEU 49 - HA GLN 101 far 0 47 0 - 9.1-9.8 QD2 LEU 22 - HA ILE 80 far 0 60 0 - 9.8-24.1 QD2 LEU 119 - HA GLN 101 far 0 36 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 2442 from aliabs.peaks (0.27, 4.12, 58.62 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 80 + HA ILE 80 OK 100 100 100 100 3.3-3.7 4.2=100 QD1 ILE 80 - HA CYS 79 far 0 60 0 - 6.1-6.4 QG2 VAL 93 - HA ILE 80 far 0 76 0 - 8.5-8.9 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 2.8-2.9 3.0=100 HA CYS 79 + HB ILE 80 OK 85 85 100 100 5.2-5.3 3.6/7073=89, 2.9/9700=76...(18) HB THR 83 - HB ILE 80 far 0 65 0 - 7.7-8.5 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 5 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 2.6-2.8 3.0=100 QG1 VAL 133 - HB ILE 80 far 0 73 0 - 5.8-7.3 QG2 ILE 129 - HB ILE 80 far 0 98 0 - 6.9-7.5 QD2 LEU 22 - HB ILE 80 far 0 68 0 - 8.6-23.7 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 2.9-3.0 3.0=100 QG2 VAL 77 + HB ILE 80 OK 71 71 100 100 3.0-3.4 3.2/9645=46, 9649/3.2=46...(41) QG2 THR 83 - HB ILE 80 far 0 81 0 - 5.8-6.6 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 5 assignments used, quality = 1.00: * HG13 ILE 80 + HB ILE 80 OK 100 100 100 100 2.6-2.8 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 far 0 65 0 - 5.8-7.3 QG2 ILE 129 - HB ILE 80 far 0 96 0 - 6.9-7.5 QD2 LEU 22 - HB ILE 80 far 0 60 0 - 8.6-23.7 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 2.1-2.2 3.2=100 QG2 VAL 93 - HB ILE 80 far 0 76 0 - 7.5-7.9 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 3.4-3.6 4.0=100 H ILE 80 - QG2 ILE 129 far 0 88 0 - 7.6-8.0 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 5 assignments used, quality = 1.00: * HA ILE 80 + QG2 ILE 80 OK 100 100 100 100 2.8-3.0 3.2=100 HB THR 83 - QG2 ILE 80 far 0 65 0 - 5.0-5.6 HA CYS 79 - QG2 ILE 80 far 0 85 0 - 5.2-5.6 HA ILE 80 - QG2 ILE 129 far 0 88 0 - 7.4-7.9 HA CYS 45 - QG2 ILE 129 far 0 82 0 - 8.7-9.6 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 14 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 1.9-3.2 3.2=83, 2.1/4163=65...(19) HG3 ARG 90 - QG2 ILE 129 far 0 87 0 - 5.9-7.9 HB2 LYS 39 - QG2 ILE 80 far 0 65 0 - 6.6-9.0 HB2 LYS 19 - QG2 ILE 80 far 0 99 0 - 6.6-31.5 HD3 LYS 39 - QG2 ILE 80 far 0 78 0 - 6.6-9.6 HG3 ARG 90 - QG2 ILE 80 far 0 100 0 - 6.9-8.2 HB ILE 80 - QG2 ILE 129 far 0 88 0 - 6.9-7.5 HB3 LEU 70 - QG2 ILE 129 far 0 64 0 - 7.7-8.7 HB2 LYS 39 - QG2 ILE 129 far 0 51 0 - 7.9-9.2 HG13 ILE 129 - QG2 ILE 80 far 0 98 0 - 8.6-11.2 HD3 LYS 39 - QG2 ILE 129 far 0 62 0 - 8.8-10.3 HB2 ARG 23 - QG2 ILE 80 far 0 89 0 - 9.4-25.0 HG LEU 48 - QG2 ILE 129 far 0 62 0 - 10.0-11.7 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): 2 out of 7 assignments used, quality = 1.00: * HG12 ILE 80 + QG2 ILE 80 OK 100 100 100 100 2.1-2.3 3.2=99, 2.1/2456=47...(16) QG2 VAL 77 + QG2 ILE 80 OK 39 71 55 99 3.6-4.1 9649/3.1=27...(48) QG2 THR 83 - QG2 ILE 80 far 0 81 0 - 4.1-4.8 QG2 VAL 77 - QG2 ILE 129 far 0 56 0 - 4.4-5.1 HG12 ILE 80 - QG2 ILE 129 far 0 88 0 - 5.7-6.7 QG2 THR 65 - QG2 ILE 129 far 0 76 0 - 7.9-8.6 QG2 THR 83 - QG2 ILE 129 far 0 64 0 - 9.4-10.2 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): 2 out of 4 assignments used, quality = 1.00: * QD1 ILE 80 + QG2 ILE 80 OK 99 100 100 99 2.3-2.7 3.1=70, 2.1/2454=35...(39) QG2 VAL 93 + QG2 ILE 129 OK 55 60 100 92 1.7-1.9 9967/3.0=25...(35) QD1 ILE 80 - QG2 ILE 129 far 0 88 0 - 3.8-4.4 QG2 VAL 93 - QG2 ILE 80 far 0 76 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 2458 from aliabs.peaks (4.12, 1.21, 27.07 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 80 + HG12 ILE 80 OK 100 100 100 100 2.6-3.1 4.1=100 HA CYS 79 - HG12 ILE 80 far 0 85 0 - 7.3-7.5 HB THR 83 - HG12 ILE 80 far 0 65 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 2459 from aliabs.peaks (1.74, 1.21, 27.07 ppm; 4.55 A): 1 out of 5 assignments used, quality = 1.00: * HB ILE 80 + HG12 ILE 80 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 LYS 39 - HG12 ILE 80 far 0 65 0 - 6.0-8.7 HD3 LYS 39 - HG12 ILE 80 far 0 78 0 - 6.4-9.8 HG13 ILE 129 - HG12 ILE 80 far 0 98 0 - 8.7-11.2 HG3 ARG 90 - HG12 ILE 80 far 0 100 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 2460 from aliabs.peaks (0.81, 1.21, 27.07 ppm; 4.13 A): 3 out of 4 assignments used, quality = 1.00: * QG2 ILE 80 + HG12 ILE 80 OK 100 100 100 100 2.1-2.3 3.2=100 HG13 ILE 80 + HG12 ILE 80 OK 100 100 100 100 1.8-1.8 1.8=100 QG1 VAL 133 + HG12 ILE 80 OK 51 73 70 100 3.6-5.6 ~10588=50, ~10588=46...(23) QG2 ILE 129 - HG12 ILE 80 far 0 98 0 - 5.7-6.7 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 2.1-2.3 3.2=100 QG1 VAL 133 + HG12 ILE 80 OK 39 65 60 98 3.6-5.6 ~10588=39, ~10588=35...(23) QG2 ILE 129 - HG12 ILE 80 far 0 96 0 - 5.7-6.7 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 - 7.2-7.8 Violated in 0 structures by 0.00 A. Peak 2465 from aliabs.peaks (4.12, 0.81, 27.07 ppm; 4.73 A): 2 out of 10 assignments used, quality = 1.00: * HA ILE 80 + HG13 ILE 80 OK 100 100 100 100 1.9-2.3 4.1=100 HA LEU 49 + QD2 LEU 49 OK 49 49 100 100 3.3-3.6 3.9=100 HA CYS 79 - HG13 ILE 80 far 0 85 0 - 6.2-6.6 HA CYS 45 - QD2 LEU 49 far 0 57 0 - 6.4-7.3 HA LEU 48 - QD2 LEU 49 far 0 38 0 - 6.7-7.0 HA ALA 52 - QD2 LEU 49 far 0 59 0 - 7.5-7.8 HA GLN 101 - QD2 LEU 49 far 0 47 0 - 9.1-9.8 HA LEU 98 - QD2 LEU 49 far 0 47 0 - 9.4-10.0 HB THR 83 - HG13 ILE 80 far 0 65 0 - 9.5-10.4 HA3 GLY 114 - QD2 LEU 49 far 0 61 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 2466 from aliabs.peaks (1.74, 0.81, 27.07 ppm; 4.22 A): 1 out of 10 assignments used, quality = 1.00: * HB ILE 80 + HG13 ILE 80 OK 100 100 100 100 2.6-2.8 3.0=100 HG13 ILE 129 - QD2 LEU 49 far 0 58 0 - 5.6-8.6 HB2 LYS 39 - HG13 ILE 80 far 0 65 0 - 5.9-8.3 HB3 LEU 70 - QD2 LEU 49 far 0 43 0 - 6.5-7.0 HD3 LYS 39 - HG13 ILE 80 far 0 78 0 - 6.8-9.4 HG LEU 48 - QD2 LEU 49 far 0 41 0 - 6.8-8.0 HG3 ARG 90 - HG13 ILE 80 far 0 100 0 - 8.5-9.5 HG13 ILE 129 - HG13 ILE 80 far 0 98 0 - 8.7-10.8 HG LEU 98 - QD2 LEU 49 far 0 35 0 - 9.4-11.2 HB2 LYS 19 - HG13 ILE 80 far 0 99 0 - 9.6-37.2 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): 2 out of 4 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 65 + QD2 LEU 49 OK 51 51 100 100 2.9-3.3 10966/2.1=69...(26) QG2 VAL 77 - HG13 ILE 80 poor 14 71 20 - 3.9-4.7 QG2 THR 83 - HG13 ILE 80 far 0 81 0 - 7.7-8.7 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 3 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 - 6.6-7.0 QG2 VAL 93 - HG13 ILE 80 far 0 76 0 - 6.9-7.4 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 3.3-3.7 4.2=68, 3.0/7077=55...(15) HA CYS 79 - QD1 ILE 80 far 0 85 0 - 6.1-6.4 HB THR 83 - QD1 ILE 80 far 0 65 0 - 7.5-8.1 Violated in 1 structures by 0.00 A. Peak 2473 from aliabs.peaks (1.74, 0.27, 13.24 ppm; 3.28 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 80 + QD1 ILE 80 OK 100 100 100 100 2.1-2.2 3.2=100 HG3 ARG 90 - QD1 ILE 80 far 0 100 0 - 5.5-6.0 HG13 ILE 129 - QD1 ILE 80 far 0 98 0 - 5.8-7.9 HB2 LYS 39 - QD1 ILE 80 far 0 65 0 - 6.5-8.4 HD3 LYS 39 - QD1 ILE 80 far 0 78 0 - 7.0-9.2 HB2 LYS 19 - QD1 ILE 80 far 0 99 0 - 8.8-31.8 HB2 ARG 23 - QD1 ILE 80 far 0 89 0 - 9.9-24.9 Violated in 0 structures by 0.00 A. Peak 2474 from aliabs.peaks (0.81, 0.27, 13.24 ppm; 2.92 A): 2 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 2.3-2.7 3.1=81, 2454/2.1=39...(39) QG2 ILE 129 - QD1 ILE 80 far 0 98 0 - 3.8-4.4 QG1 VAL 133 - QD1 ILE 80 far 0 73 0 - 3.9-5.0 QD1 LEU 70 - QD1 ILE 80 far 0 100 0 - 8.4-9.2 QD2 LEU 22 - QD1 ILE 80 far 0 68 0 - 8.8-21.2 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 1.8-2.3 9649=46, 3.2/9725=41...(49) QG2 THR 83 - QD1 ILE 80 far 0 81 0 - 5.8-6.4 Violated in 0 structures by 0.00 A. Peak 2476 from aliabs.peaks (0.81, 0.27, 13.24 ppm; 3.03 A): 2 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 2.3-2.7 3.1=91, 2454/2.1=42...(39) QG2 ILE 129 - QD1 ILE 80 far 0 96 0 - 3.8-4.4 QG1 VAL 133 - QD1 ILE 80 far 0 65 0 - 3.9-5.0 QD1 LEU 70 - QD1 ILE 80 far 0 100 0 - 8.4-9.2 QD2 LEU 22 - QD1 ILE 80 far 0 60 0 - 8.8-21.2 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 2.0-2.4 3.8=100 HA CYS 79 - HD2 PRO 81 far 0 85 0 - 6.4-7.1 HA3 GLY 114 - HD2 PRO 117 far 0 98 0 - 6.7-8.5 HB THR 83 - HD2 PRO 81 far 0 65 0 - 8.9-10.1 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 2 assignments used, quality = 1.00: * HD2 PRO 81 + HA ILE 80 OK 100 100 100 100 2.0-2.4 3.8=100 HD2 PRO 81 - HA CYS 79 far 0 60 0 - 6.4-7.1 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 2 assignments used, quality = 1.00: * HA ILE 80 + HD3 PRO 81 OK 100 100 100 100 2.3-2.4 3.8=100 HA CYS 79 - HD3 PRO 81 far 0 85 0 - 5.4-6.7 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 9 assignments used, quality = 1.00: * HD3 PRO 81 + HA ILE 80 OK 100 100 100 100 2.3-2.4 3.8=100 HA GLU 102 + HA GLN 101 OK 50 50 100 100 4.6-4.7 4.8=97, ~7449=40...(10) HD3 PRO 81 - HA CYS 79 far 0 60 0 - 5.4-6.7 HA LEU 103 - HA GLN 101 far 0 38 0 - 6.5-6.8 HA SER 60 - HA GLN 101 far 0 30 0 - 9.1-10.0 HA LEU 96 - HA GLN 101 far 0 45 0 - 9.6-10.1 HA ILE 37 - HA CYS 79 far 0 49 0 - 9.7-10.7 HA ILE 37 - HA ILE 80 far 0 90 0 - 9.7-10.5 HA ARG 135 - HA ILE 80 far 0 85 0 - 9.9-11.5 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 6 assignments used, quality = 1.00: * HG2 PRO 81 + HD2 PRO 81 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 PRO 117 + HD2 PRO 117 OK 98 98 100 100 3.9-3.9 3.0=100 HB2 PRO 81 + HD2 PRO 81 OK 38 38 100 100 3.9-3.9 3.0=100 HG3 ARG 135 - HD2 PRO 81 far 0 68 0 - 6.5-7.6 HB2 GLN 134 - HD2 PRO 81 far 0 93 0 - 9.0-10.0 HG2 ARG 90 - HD2 PRO 81 far 0 90 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 2483 from aliabs.peaks (2.05, 3.85, 50.95 ppm; 3.88 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 98 98 100 100 2.3-2.3 2.3=100 HG2 PRO 117 + HD2 PRO 117 OK 98 98 100 100 3.0-3.0 2.3=100 HB2 PRO 81 + HD2 PRO 81 OK 70 70 100 100 3.9-3.9 3.0=100 HB VAL 118 - HD2 PRO 117 far 0 86 0 - 5.9-6.2 HB3 LYS 39 - HD2 PRO 81 far 0 60 0 - 6.0-8.3 HG3 ARG 135 - HD2 PRO 81 far 0 89 0 - 6.5-7.6 HG3 GLN 134 - HD2 PRO 81 far 0 65 0 - 8.6-10.0 HB2 GLN 134 - HD2 PRO 81 far 0 60 0 - 9.0-10.0 HG3 PRO 113 - HD2 PRO 117 far 0 95 0 - 9.4-11.4 HG2 ARG 90 - HD2 PRO 81 far 0 65 0 - 9.4-10.4 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 5 assignments used, quality = 1.00: * HD3 PRO 81 + HD2 PRO 81 OK 100 100 100 100 1.8-1.8 1.8=100 HA ARG 135 - HD2 PRO 81 far 0 85 0 - 7.7-9.9 HA LEU 103 - HD2 PRO 117 far 0 73 0 - 8.1-9.0 HA LEU 119 - HD2 PRO 117 far 0 92 0 - 8.5-8.6 HA GLU 102 - HD2 PRO 117 far 0 91 0 - 9.8-11.8 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 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 PRO 81 + HD3 PRO 81 OK 38 38 100 100 3.0-3.0 3.0=100 HG3 ARG 135 - HD3 PRO 81 far 0 68 0 - 7.9-9.3 HB2 GLN 134 - HD3 PRO 81 far 0 93 0 - 9.1-11.1 HB VAL 20 - HD3 PRO 81 far 0 99 0 - 9.7-33.3 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 6 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 3.0-3.0 3.0=100 HB3 LYS 39 - HD3 PRO 81 far 0 60 0 - 5.7-7.0 HG3 ARG 135 - HD3 PRO 81 far 0 89 0 - 7.9-9.3 HB2 GLN 134 - HD3 PRO 81 far 0 60 0 - 9.1-11.1 HG3 GLN 134 - HD3 PRO 81 far 0 65 0 - 9.4-11.1 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 - 9.7-11.0 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): 2 out of 13 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 far 0 97 0 - 4.8-5.5 HB3 LYS 39 - HG2 PRO 81 far 0 60 0 - 5.0-9.0 HB3 GLU 55 - HG3 PRO 56 far 0 96 0 - 5.2-6.3 HG3 ARG 135 - HG2 PRO 81 far 0 89 0 - 5.9-9.0 HB2 GLN 134 - HG2 PRO 81 far 0 60 0 - 8.2-9.9 HG3 GLN 134 - HG2 PRO 81 far 0 65 0 - 8.4-10.4 HG3 PRO 113 - HG3 PRO 56 far 0 96 0 - 8.6-10.8 HG3 PRO 58 - HG2 PRO 56 far 0 91 0 - 8.9-9.3 HG2 PRO 58 - HG2 PRO 56 far 0 73 0 - 9.3-9.6 HG3 PRO 113 - HG2 PRO 56 far 0 97 0 - 9.3-11.6 HB3 GLU 40 - HG2 PRO 81 far 0 63 0 - 9.9-13.7 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 2.3-2.7 2.3=100 HA GLU 40 - HG2 PRO 81 far 0 78 0 - 9.5-12.4 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 0 85 0 - 6.4-10.5 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 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 + HG2 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 PRO 81 + HG3 PRO 81 OK 38 38 100 100 2.3-3.0 2.3=100 HG3 ARG 135 - HG3 PRO 81 far 0 68 0 - 5.8-8.8 HG2 PRO 81 - HG3 ARG 135 far 0 70 0 - 5.9-9.0 HB2 GLN 134 - HG3 ARG 135 far 0 60 0 - 6.1-7.6 HB3 PRO 56 - HG3 PRO 113 far 0 82 0 - 6.4-8.6 QE MET 11 - HG3 ARG 135 far 0 49 0 - 7.5-43.3 HB2 GLN 134 - HG3 PRO 81 far 0 93 0 - 7.6-9.7 HG3 PRO 56 - HG3 PRO 113 far 0 83 0 - 8.6-10.8 HB2 PRO 81 - HG3 ARG 135 far 0 21 0 - 8.6-10.2 HB3 MET 11 - HG3 ARG 135 far 0 68 0 - 8.9-48.8 HB ILE 129 - HG3 ARG 135 far 0 69 0 - 9.2-10.5 HG2 PRO 56 - HG3 PRO 113 far 0 84 0 - 9.3-11.6 HB VAL 20 - HG3 PRO 81 far 0 99 0 - 10.0-35.9 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 6 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 2.3-2.3 2.3=100 HD2 PRO 117 + HG2 PRO 117 OK 100 100 100 100 3.0-3.0 2.3=100 HD2 PRO 81 - HG3 ARG 135 far 0 70 0 - 6.5-7.6 HA GLU 40 - HG3 PRO 81 far 0 78 0 - 9.3-11.8 HD2 PRO 117 - HG3 PRO 113 far 0 83 0 - 9.4-11.4 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 10 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 3.1-3.8 4.2=74, 4308/1.8=66...(14) HA ARG 135 - HG3 PRO 81 far 0 85 0 - 6.9-9.4 HA LEU 103 - HG2 PRO 117 far 0 78 0 - 7.0-7.6 HA LEU 119 - HG2 PRO 117 far 0 96 0 - 7.7-8.0 HA GLU 102 - HG2 PRO 117 far 0 95 0 - 7.9-9.7 HD3 PRO 81 - HG3 ARG 135 far 0 70 0 - 7.9-9.3 HA LEU 103 - HG3 PRO 117 far 0 78 0 - 8.5-9.2 HA LEU 119 - HG3 PRO 117 far 0 96 0 - 9.1-9.3 HA GLU 102 - HG3 PRO 117 far 0 95 0 - 9.3-11.2 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 2.8-4.1 3.5=100 HE22 GLN 82 + HG3 GLN 82 OK 99 99 100 100 2.5-4.1 3.5=100 H VAL 105 - HG2 GLN 101 far 8 80 10 - 5.9-7.6 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 3 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 - 6.7-7.4 HB THR 18 - HA THR 83 far 0 60 0 - 9.7-38.5 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 2.2-2.4 3.2=100 HG12 ILE 80 - HA THR 83 far 0 81 0 - 5.5-6.9 Violated in 0 structures by 0.00 A. Peak 2511 from aliabs.peaks (1.79, 3.74, 66.49 ppm; 4.80 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 86 + HA THR 83 OK 100 100 100 100 2.5-4.2 2624=100, 1.8/2636=91...(19) HB2 ARG 84 - HA THR 83 far 0 92 0 - 5.5-6.0 HB3 LYS 19 - HA THR 83 far 0 95 0 - 8.6-36.7 HB3 ARG 135 - HA THR 83 far 0 73 0 - 8.6-10.1 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 2 assignments used, quality = 1.00: * HB3 LYS 86 + HA THR 83 OK 100 100 100 100 2.0-3.0 2636=100, 1.8/2624=93...(19) HB3 PRO 81 - HA THR 83 far 0 100 0 - 7.1-8.5 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 - 8.1-9.3 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 2.2-2.4 3.2=80, 2.8/9775=35...(13) HA VAL 133 - QG2 THR 83 far 0 65 0 - 9.6-10.3 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 3 assignments used, quality = 1.00: * HB THR 83 + QG2 THR 83 OK 100 100 100 100 2.1-2.1 2.1=100 HB THR 18 - QG2 THR 83 far 0 60 0 - 6.1-31.9 HA ILE 80 - QG2 THR 83 far 0 65 0 - 7.7-8.4 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 3.4-3.7 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): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 86 - HA ARG 84 far 0 92 0 - 5.6-6.3 HB3 ARG 135 - HA ARG 84 far 0 98 0 - 7.7-9.6 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 4 assignments used, quality = 1.00: * HB3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.2-2.5 3.0=100 HB2 MET 11 - HA ARG 84 far 0 93 0 - 7.5-49.4 HB2 ARG 135 - HA ARG 84 far 0 92 0 - 7.8-9.7 HB2 ARG 90 - HA ARG 84 far 0 98 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 2525 from aliabs.peaks (1.64, 4.25, 58.88 ppm; 4.06 A): 2 out of 5 assignments used, quality = 1.00: * HG2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.3-3.6 3.9=100 HG3 ARG 84 + HA ARG 84 OK 100 100 100 100 3.5-4.2 3.9=100 QB ALA 88 - HA ARG 84 far 3 68 5 - 4.5-5.8 HD3 LYS 86 - HA ARG 84 far 0 90 0 - 7.1-7.8 HD2 LYS 86 - HA ARG 84 far 0 85 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 2526 from aliabs.peaks (1.64, 4.25, 58.88 ppm; 4.06 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 84 + HA ARG 84 OK 100 100 100 100 3.5-4.2 3.9=100 HG2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.3-3.6 3.9=100 QB ALA 88 - HA ARG 84 far 4 76 5 - 4.5-5.8 HD3 LYS 86 - HA ARG 84 far 0 95 0 - 7.1-7.8 HD2 LYS 86 - HA ARG 84 far 0 90 0 - 8.6-9.1 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 2 assignments used, quality = 1.00: HD3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.4-4.8 5.0=74, 2.9/11859=54...(32) * HD2 ARG 84 + HA ARG 84 OK 95 100 95 100 2.3-5.1 5.0=74, 2.9/11859=54...(32) 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 2 assignments used, quality = 1.00: * HD3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.4-4.8 5.0=74, 2.9/11859=54...(32) HD2 ARG 84 + HA ARG 84 OK 95 100 95 100 2.3-5.1 5.0=74, 2.9/11859=54...(32) 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 3.5-3.5 3.6=100 QE PHE 87 - HA ARG 84 poor 19 98 25 79 2.0-6.8 6.3/2530=37, 4.4/2532=32...(7) 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 = 0.99: * HB2 PHE 87 + HA ARG 84 OK 96 100 100 96 3.4-4.5 4.0/2530=57...(12) HB3 PHE 87 + HA ARG 84 OK 66 99 75 89 4.5-5.7 4.0/2530=57, 1.8/2725=35...(9) HD3 ARG 135 - HA ARG 84 far 0 99 0 - 7.1-9.3 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 = 0.98: HB2 PHE 87 + HA ARG 84 OK 94 99 100 95 3.4-4.5 4.0/2530=55...(11) * HB3 PHE 87 + HA ARG 84 OK 66 100 75 88 4.5-5.7 4.0/2530=55, 1.8/2725=35...(9) HD3 ARG 135 - HA ARG 84 far 0 100 0 - 7.1-9.3 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 2.5-3.0 3.0=100 HA PHE 87 - HB2 ARG 84 far 0 73 0 - 8.3-8.9 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 3 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 - 5.1-8.3 HB2 MET 11 - HB2 ARG 84 far 0 93 0 - 6.2-50.7 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 2.4-3.0 3.0=100 HG3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.2-2.5 3.0=100 QB ALA 88 - HB2 ARG 84 far 0 68 0 - 4.9-6.8 HD3 LYS 86 - HB2 ARG 84 far 0 90 0 - 8.3-9.4 HD2 LYS 86 - HB2 ARG 84 far 0 85 0 - 9.4-10.7 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 2.2-2.5 3.0=100 HG2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 88 - HB2 ARG 84 far 0 76 0 - 4.9-6.8 HD3 LYS 86 - HB2 ARG 84 far 0 95 0 - 8.3-9.4 HD2 LYS 86 - HB2 ARG 84 far 0 90 0 - 9.4-10.7 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 2 assignments used, quality = 1.00: * HD2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.8-4.2 4.0=90, 2572/1.8=39...(25) HD3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.8-4.2 4.0=90, 2572/1.8=39...(25) 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 2 assignments used, quality = 1.00: HD2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.8-4.2 4.0=90, 2572/1.8=39...(25) * HD3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.8-4.2 4.0=90, 2572/1.8=39...(25) 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 2.2-2.5 3.0=100 HA PHE 87 - HB3 ARG 84 far 0 73 0 - 7.9-8.5 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 - 6.3-8.5 HB2 LYS 86 - HB3 ARG 84 far 0 92 0 - 7.7-8.4 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 4 assignments used, quality = 1.00: * HG2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 88 - HB3 ARG 84 far 0 68 0 - 4.5-6.7 HD3 LYS 86 - HB3 ARG 84 far 0 90 0 - 8.9-9.9 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 4 assignments used, quality = 1.00: * HG3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.6-3.0 3.0=100 QB ALA 88 - HB3 ARG 84 far 0 76 0 - 4.5-6.7 HD3 LYS 86 - HB3 ARG 84 far 0 95 0 - 8.9-9.9 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 3 assignments used, quality = 1.00: HD3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.1-3.7 4.0=87, 1.8/2581=39...(25) * HD2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.4-3.6 4.0=87, 1.8/2581=39...(25) HB2 HIS 10 - HB3 ARG 84 far 0 87 0 - 9.0-54.1 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 3 assignments used, quality = 1.00: * HD3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.1-3.7 4.0=87, 1.8/2581=39...(25) HD2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.4-3.6 4.0=87, 1.8/2581=39...(25) HB2 HIS 10 - HB3 ARG 84 far 0 87 0 - 9.0-54.1 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 20 assignments used, quality = 1.00: * HA ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.6 3.9=96, 11859/3.6=34...(31) HA ARG 84 + HG3 ARG 84 OK 100 100 100 100 3.5-4.2 3.9=96, 11859/3.6=34...(31) HA LEU 22 + HG LEU 22 OK 55 55 100 100 2.2-3.7 401/2.1=74, 4.3=72...(20) HA LYS 26 - HG3 ARG 23 far 6 39 15 - 4.2-11.2 HA ALA 28 - HG LEU 22 far 0 73 0 - 4.6-19.5 HA LYS 19 - HG LEU 22 far 0 44 0 - 4.7-8.7 HA LEU 22 - HG3 ARG 23 far 0 44 0 - 4.7-7.4 HA LYS 19 - HG3 ARG 23 far 0 35 0 - 6.3-11.1 HA LYS 26 - HG LEU 22 far 0 50 0 - 6.5-12.8 HA LYS 31 - HG3 ARG 23 far 0 36 0 - 6.6-20.1 HA ALA 28 - HG3 ARG 23 far 0 59 0 - 6.6-17.9 HA GLN 27 - HG LEU 22 far 0 73 0 - 6.7-16.1 HA GLN 27 - HG3 ARG 23 far 0 59 0 - 6.9-15.2 HB THR 115 - HG LEU 119 far 0 36 0 - 7.0-7.5 HA SER 99 - HG LEU 119 far 0 43 0 - 8.0-9.2 HA PHE 87 - HG2 ARG 84 far 0 73 0 - 8.1-9.6 HA ALA 29 - HG LEU 22 far 0 55 0 - 8.5-21.3 HA ALA 29 - HG3 ARG 23 far 0 44 0 - 9.2-18.6 HA PHE 87 - HG3 ARG 84 far 0 72 0 - 9.3-10.2 HA LYS 31 - HG LEU 22 far 0 46 0 - 10.0-24.0 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 24 assignments used, quality = 1.00: * HB2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-2.5 3.0=100 HB3 ARG 23 + HG3 ARG 23 OK 55 55 100 100 2.3-3.0 3.0=100 HB3 ARG 135 - HG2 ARG 84 far 0 98 0 - 5.5-9.9 HB3 LYS 19 - HG3 ARG 23 far 0 59 0 - 5.6-11.1 HB3 LEU 103 - HG LEU 119 far 0 52 0 - 5.7-7.1 HB3 LYS 24 - HG LEU 22 far 0 71 0 - 5.9-10.7 HB3 ARG 135 - HG3 ARG 84 far 0 97 0 - 6.0-8.6 HB3 LEU 122 - HG LEU 119 far 0 48 0 - 6.1-7.3 HB3 LYS 26 - HG3 ARG 23 far 0 57 0 - 6.2-12.8 HB3 LYS 24 - HG3 ARG 23 far 0 58 0 - 6.3-8.1 HB3 LYS 31 - HG3 ARG 23 far 0 59 0 - 6.8-19.8 HB3 ARG 23 - HG LEU 22 far 0 69 0 - 6.9-8.7 HB3 LYS 19 - HG LEU 22 far 0 73 0 - 7.2-10.1 HB2 LYS 86 - HG2 ARG 84 far 0 92 0 - 7.2-8.5 HB ILE 32 - HG3 ARG 23 far 0 59 0 - 7.7-18.1 HB3 LYS 31 - HG LEU 22 far 0 72 0 - 7.8-23.2 HB2 CYS 79 - HG3 ARG 23 far 0 41 0 - 8.0-23.9 HB2 LYS 86 - HG3 ARG 84 far 0 91 0 - 8.2-9.7 HB3 LYS 26 - HG LEU 22 far 0 71 0 - 8.5-15.1 HB2 LYS 36 - HG3 ARG 23 far 0 56 0 - 8.7-21.9 HB2 LYS 86 - HG3 ARG 23 far 0 49 0 - 8.8-27.6 HB3 ARG 135 - HG LEU 43 far 0 82 0 - 9.4-11.2 HB2 LEU 100 - HG LEU 119 far 0 56 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 2554 from aliabs.peaks (1.90, 1.64, 26.79 ppm; 3.54 A): 2 out of 13 assignments used, quality = 1.00: * HB3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ARG 135 - HG2 ARG 84 far 0 92 0 - 5.5-9.9 HB2 ARG 135 - HG3 ARG 84 far 0 91 0 - 5.7-8.6 HB2 GLU 40 - HG LEU 43 far 0 85 0 - 5.8-6.6 HB2 MET 11 - HG3 ARG 84 far 0 92 0 - 6.3-52.9 HB3 LEU 123 - HG LEU 119 far 0 40 0 - 7.3-8.5 HB2 MET 11 - HG LEU 22 far 0 63 0 - 7.6-29.8 HB2 MET 11 - HG2 ARG 84 far 0 93 0 - 7.6-51.8 HB2 PRO 113 - HG LEU 119 far 0 62 0 - 8.1-10.7 HB3 LEU 49 - HG LEU 119 far 0 58 0 - 9.0-10.0 HG2 PRO 113 - HG LEU 119 far 0 33 0 - 9.5-11.8 HB2 ARG 135 - HG LEU 43 far 0 74 0 - 9.7-11.5 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 12 assignments used, quality = 1.00: * HD2 ARG 84 + HG2 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 + 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 2.3-3.0 3.0=100 HD2 ARG 23 + HG3 ARG 23 OK 32 32 100 100 2.2-3.0 3.0=100 HB3 HIS 8 - HG LEU 22 far 0 46 0 - 6.1-37.6 HD2 ARG 23 - HG LEU 22 far 0 40 0 - 6.6-10.8 HB2 HIS 10 - HG3 ARG 23 far 0 45 0 - 6.8-32.8 HB2 HIS 10 - HG LEU 22 far 0 57 0 - 6.9-33.8 HB3 HIS 3 - HG LEU 119 far 0 33 0 - 8.3-62.7 HD2 ARG 90 - HG3 ARG 23 far 0 38 0 - 8.8-26.7 HD3 ARG 90 - HG3 ARG 23 far 0 33 0 - 9.2-27.7 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 12 assignments used, quality = 1.00: HD2 ARG 84 + HG2 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 + 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 2.3-3.0 3.0=100 HD2 ARG 23 + HG3 ARG 23 OK 32 32 100 100 2.2-3.0 3.0=100 HB3 HIS 8 - HG LEU 22 far 0 46 0 - 6.1-37.6 HD2 ARG 23 - HG LEU 22 far 0 40 0 - 6.6-10.8 HB2 HIS 10 - HG3 ARG 23 far 0 45 0 - 6.8-32.8 HB2 HIS 10 - HG LEU 22 far 0 57 0 - 6.9-33.8 HB3 HIS 3 - HG LEU 119 far 0 33 0 - 8.3-62.7 HD2 ARG 90 - HG3 ARG 23 far 0 38 0 - 8.8-26.7 HD3 ARG 90 - HG3 ARG 23 far 0 33 0 - 9.2-27.7 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 13 assignments used, quality = 1.00: * HA ARG 84 + HG3 ARG 84 OK 100 100 100 100 3.5-4.2 3.9=95, 11859/3.6=34...(31) HA ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.6 3.9=95, 11859/3.6=34...(32) HA LEU 22 + HG LEU 22 OK 45 45 100 100 2.2-3.7 401/2.1=74, 4.3=71...(20) HA ALA 28 - HG LEU 22 far 0 61 0 - 4.6-19.5 HA LYS 19 - HG LEU 22 far 0 36 0 - 4.7-8.7 HA LYS 26 - HG LEU 22 far 0 41 0 - 6.5-12.8 HA GLN 27 - HG LEU 22 far 0 61 0 - 6.7-16.1 HB THR 115 - HG LEU 119 far 0 30 0 - 7.0-7.5 HA SER 99 - HG LEU 119 far 0 35 0 - 8.0-9.2 HA PHE 87 - HG2 ARG 84 far 0 72 0 - 8.1-9.6 HA ALA 29 - HG LEU 22 far 0 45 0 - 8.5-21.3 HA PHE 87 - HG3 ARG 84 far 0 73 0 - 9.3-10.2 HA LYS 31 - HG LEU 22 far 0 37 0 - 10.0-24.0 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 15 assignments used, quality = 1.00: * HB2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-2.5 3.0=100 HB2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 135 - HG2 ARG 84 far 0 97 0 - 5.5-9.9 HB3 LEU 103 - HG LEU 119 far 0 43 0 - 5.7-7.1 HB3 LYS 24 - HG LEU 22 far 0 60 0 - 5.9-10.7 HB3 ARG 135 - HG3 ARG 84 far 0 98 0 - 6.0-8.6 HB3 LEU 122 - HG LEU 119 far 0 39 0 - 6.1-7.3 HB3 ARG 23 - HG LEU 22 far 0 57 0 - 6.9-8.7 HB3 LYS 19 - HG LEU 22 far 0 61 0 - 7.2-10.1 HB2 LYS 86 - HG2 ARG 84 far 0 91 0 - 7.2-8.5 HB3 LYS 31 - HG LEU 22 far 0 60 0 - 7.8-23.2 HB2 LYS 86 - HG3 ARG 84 far 0 92 0 - 8.2-9.7 HB3 LYS 26 - HG LEU 22 far 0 59 0 - 8.5-15.1 HB3 ARG 135 - HG LEU 43 far 0 85 0 - 9.4-11.2 HB2 LEU 100 - HG LEU 119 far 0 47 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 2563 from aliabs.peaks (1.90, 1.64, 26.79 ppm; 3.53 A): 2 out of 13 assignments used, quality = 1.00: * HB3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ARG 135 - HG2 ARG 84 far 0 91 0 - 5.5-9.9 HB2 ARG 135 - HG3 ARG 84 far 0 92 0 - 5.7-8.6 HB2 GLU 40 - HG LEU 43 far 0 88 0 - 5.8-6.6 HB2 MET 11 - HG3 ARG 84 far 0 93 0 - 6.3-52.9 HB3 LEU 123 - HG LEU 119 far 0 33 0 - 7.3-8.5 HB2 MET 11 - HG LEU 22 far 0 52 0 - 7.6-29.8 HB2 MET 11 - HG2 ARG 84 far 0 92 0 - 7.6-51.8 HB2 PRO 113 - HG LEU 119 far 0 52 0 - 8.1-10.7 HB3 LEU 49 - HG LEU 119 far 0 48 0 - 9.0-10.0 HG2 PRO 113 - HG LEU 119 far 0 27 0 - 9.5-11.8 HB2 ARG 135 - HG LEU 43 far 0 78 0 - 9.7-11.5 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 8 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 2.3-3.0 3.0=100 HD2 ARG 84 + HG2 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 HB3 HIS 8 - HG LEU 22 far 0 37 0 - 6.1-37.6 HD2 ARG 23 - HG LEU 22 far 0 33 0 - 6.6-10.8 HB2 HIS 10 - HG LEU 22 far 0 47 0 - 6.9-33.8 HB3 HIS 3 - HG LEU 119 far 0 27 0 - 8.3-62.7 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 8 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 2.3-3.0 3.0=100 HD2 ARG 84 + HG2 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 HB3 HIS 8 - HG LEU 22 far 0 37 0 - 6.1-37.6 HD2 ARG 23 - HG LEU 22 far 0 33 0 - 6.6-10.8 HB2 HIS 10 - HG LEU 22 far 0 47 0 - 6.9-33.8 HB3 HIS 3 - HG LEU 119 far 0 27 0 - 8.3-62.7 Violated in 0 structures by 0.00 A. Peak 2570 from aliabs.peaks (4.25, 3.19, 42.91 ppm; 4.33 A increased from 4.07 A): 2 out of 4 assignments used, quality = 1.00: HA ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.4-4.8 5.0=66, 11859/2.9=50...(32) * HA ARG 84 + HD2 ARG 84 OK 95 100 95 100 2.3-5.1 5.0=66, 11859/2.9=50...(32) HA PHE 87 - HD2 ARG 84 far 0 73 0 - 7.2-11.3 HA PHE 87 - HD3 ARG 84 far 0 73 0 - 7.4-11.0 Violated in 0 structures by 0.00 A. Peak 2571 from aliabs.peaks (1.81, 3.19, 42.91 ppm; 3.91 A increased from 3.68 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.8-4.2 4.0=94, 1.8/2572=40...(25) HB2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.8-4.2 4.0=94, 1.8/2572=40...(25) HB3 ARG 135 - HD2 ARG 84 far 5 98 5 - 4.3-9.8 HB3 ARG 135 - HD3 ARG 84 far 0 98 0 - 5.7-10.2 HB2 LYS 86 - HD2 ARG 84 far 0 92 0 - 7.1-10.8 HB2 LYS 86 - HD3 ARG 84 far 0 92 0 - 7.2-10.5 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 6 assignments used, quality = 1.00: * HB3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.4-3.6 4.0=80, 2549/1.8=35...(25) HB3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.1-3.7 4.0=80, 2549/1.8=35...(25) HB2 ARG 135 - HD2 ARG 84 far 5 92 5 - 4.2-9.9 HB2 ARG 135 - HD3 ARG 84 far 0 92 0 - 5.5-10.1 HB2 MET 11 - HD3 ARG 84 far 0 93 0 - 6.5-52.9 HB2 MET 11 - HD2 ARG 84 far 0 93 0 - 6.9-51.1 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 + 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 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 2.3-3.0 3.0=100 QB ALA 88 - HD2 ARG 84 far 0 68 0 - 3.9-8.5 QB ALA 88 - HD3 ARG 84 far 0 68 0 - 4.4-8.5 HD3 LYS 86 - HD3 ARG 84 far 0 90 0 - 8.0-11.8 HD3 LYS 86 - HD2 ARG 84 far 0 90 0 - 8.0-11.7 HD2 LYS 86 - HD2 ARG 84 far 0 85 0 - 9.6-13.1 HD2 LYS 86 - HD3 ARG 84 far 0 85 0 - 9.7-13.0 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 2.3-3.0 3.0=100 HG2 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 QB ALA 88 - HD2 ARG 84 far 0 76 0 - 3.9-8.5 QB ALA 88 - HD3 ARG 84 far 0 76 0 - 4.4-8.5 HD3 LYS 86 - HD3 ARG 84 far 0 95 0 - 8.0-11.8 HD3 LYS 86 - HD2 ARG 84 far 0 95 0 - 8.0-11.7 HD2 LYS 86 - HD2 ARG 84 far 0 90 0 - 9.6-13.1 HD2 LYS 86 - HD3 ARG 84 far 0 90 0 - 9.7-13.0 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; 4.33 A increased from 4.07 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.4-4.8 5.0=66, 11859/2.9=50...(32) HA ARG 84 + HD2 ARG 84 OK 95 100 95 100 2.3-5.1 5.0=66, 11859/2.9=50...(32) HA PHE 87 - HD2 ARG 84 far 0 73 0 - 7.2-11.3 HA PHE 87 - HD3 ARG 84 far 0 73 0 - 7.4-11.0 Violated in 0 structures by 0.00 A. Peak 2580 from aliabs.peaks (1.81, 3.19, 42.91 ppm; 3.91 A increased from 3.68 A): 2 out of 6 assignments used, quality = 1.00: HB2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.8-4.2 4.0=94, 1.8/2572=40...(25) * HB2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.8-4.2 4.0=94, 1.8/2572=40...(25) HB3 ARG 135 - HD2 ARG 84 far 5 98 5 - 4.3-9.8 HB3 ARG 135 - HD3 ARG 84 far 0 98 0 - 5.7-10.2 HB2 LYS 86 - HD2 ARG 84 far 0 92 0 - 7.1-10.8 HB2 LYS 86 - HD3 ARG 84 far 0 92 0 - 7.2-10.5 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 6 assignments used, quality = 1.00: HB3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.4-3.6 4.0=80, 2549/1.8=35...(25) * HB3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.1-3.7 4.0=80, 2549/1.8=35...(25) HB2 ARG 135 - HD2 ARG 84 far 5 92 5 - 4.2-9.9 HB2 ARG 135 - HD3 ARG 84 far 0 92 0 - 5.5-10.1 HB2 MET 11 - HD3 ARG 84 far 0 93 0 - 6.5-52.9 HB2 MET 11 - HD2 ARG 84 far 0 93 0 - 6.9-51.1 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 + 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 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 2.3-3.0 3.0=100 QB ALA 88 - HD2 ARG 84 far 0 68 0 - 3.9-8.5 QB ALA 88 - HD3 ARG 84 far 0 68 0 - 4.4-8.5 HD3 LYS 86 - HD3 ARG 84 far 0 90 0 - 8.0-11.8 HD3 LYS 86 - HD2 ARG 84 far 0 90 0 - 8.0-11.7 HD2 LYS 86 - HD2 ARG 84 far 0 85 0 - 9.6-13.1 HD2 LYS 86 - HD3 ARG 84 far 0 85 0 - 9.7-13.0 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 2.3-3.0 3.0=100 HG2 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 QB ALA 88 - HD2 ARG 84 far 0 76 0 - 3.9-8.5 QB ALA 88 - HD3 ARG 84 far 0 76 0 - 4.4-8.5 HD3 LYS 86 - HD3 ARG 84 far 0 95 0 - 8.0-11.8 HD3 LYS 86 - HD2 ARG 84 far 0 95 0 - 8.0-11.7 HD2 LYS 86 - HD2 ARG 84 far 0 90 0 - 9.6-13.1 HD2 LYS 86 - HD3 ARG 84 far 0 90 0 - 9.7-13.0 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 2.3-3.0 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 2 assignments used, quality = 1.00: * HB3 ASN 85 + HA ASN 85 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ASN 13 - HA ASN 85 far 0 100 0 - 8.9-45.9 Violated in 0 structures by 0.00 A. Peak 2595 from aliabs.peaks (1.66, 4.81, 54.84 ppm; 4.64 A): 1 out of 5 assignments used, quality = 1.00: * QB ALA 88 + HA ASN 85 OK 100 100 100 100 2.3-3.1 2750=100, 7185/7174=78...(15) HG2 ARG 84 - HA ASN 85 far 10 68 15 - 3.0-6.5 HG3 ARG 84 - HA ASN 85 far 8 76 10 - 4.7-6.6 HD3 LYS 86 - HA ASN 85 far 0 97 0 - 8.0-8.4 HD2 LYS 86 - HA ASN 85 far 0 99 0 - 8.6-9.1 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 2.3-3.0 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 2 assignments used, quality = 1.00: * HB3 ASN 85 + HB2 ASN 85 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 13 - HB2 ASN 85 far 0 100 0 - 7.6-45.3 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 2.6-3.0 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 4 assignments used, quality = 1.00: * HB2 LYS 86 + HA LYS 86 OK 100 100 100 100 2.5-2.9 3.0=100 HB2 ARG 84 - HA LYS 86 far 0 92 0 - 7.5-8.5 HB3 ARG 135 - HA LYS 86 far 0 73 0 - 8.2-9.6 HB3 LYS 19 - HA LYS 86 far 0 95 0 - 9.7-37.1 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 2.7-3.0 3.0=100 HB3 ARG 90 - HA LYS 86 far 0 99 0 - 6.4-7.0 HB3 PRO 81 - HA LYS 86 far 0 100 0 - 8.5-10.1 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 4 assignments used, quality = 1.00: * HG2 LYS 86 + HA LYS 86 OK 100 100 100 100 2.1-2.9 3.7=100 QB ALA 92 - HA LYS 86 far 0 90 0 - 7.5-8.1 HG3 LYS 19 - HA LYS 86 far 0 73 0 - 8.6-38.1 QB ALA 34 - HA LYS 86 far 0 100 0 - 9.8-11.7 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 2.1-3.4 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 6 assignments used, quality = 1.00: * HD2 LYS 86 + HA LYS 86 OK 100 100 100 100 4.4-4.8 3.0/2704=83, 5.5=73...(28) HD3 LYS 86 + HA LYS 86 OK 100 100 100 100 4.4-4.6 3.0/2704=83, 5.5=73...(29) QB ALA 88 + HA LYS 86 OK 79 99 80 100 5.2-5.6 2750/4.9=64...(15) HG2 ARG 84 - HA LYS 86 far 0 85 0 - 7.1-8.9 HG3 ARG 84 - HA LYS 86 far 0 90 0 - 8.6-9.8 HD3 LYS 19 - HA LYS 86 far 0 99 0 - 9.7-39.5 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 6 assignments used, quality = 1.00: * HD3 LYS 86 + HA LYS 86 OK 100 100 100 100 4.4-4.6 3.0/2704=83, 5.5=73...(29) HD2 LYS 86 + HA LYS 86 OK 100 100 100 100 4.4-4.8 3.0/2704=83, 5.5=73...(28) QB ALA 88 + HA LYS 86 OK 78 97 80 100 5.2-5.6 2750/4.9=62...(15) HG2 ARG 84 - HA LYS 86 far 0 90 0 - 7.1-8.9 HG3 ARG 84 - HA LYS 86 far 0 95 0 - 8.6-9.8 HD3 LYS 19 - HA LYS 86 far 0 100 0 - 9.7-39.5 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 2.5-3.6 2765=86, 2.7/11327=62...(13) HB3 PHE 89 + HA LYS 86 OK 80 81 100 100 2.2-2.6 1.8/2765=74...(13) HB3 CYS 73 - HA LYS 86 far 0 99 0 - 7.9-8.7 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 2.2-2.6 1.8/2765=72...(13) HB2 PHE 89 + HA LYS 86 OK 80 81 100 100 2.5-3.6 2.7/11327=60...(13) HB3 CYS 73 - HA LYS 86 far 0 60 0 - 7.9-8.7 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 3 assignments used, quality = 1.00: * HA THR 83 + HB2 LYS 86 OK 100 100 100 100 2.5-4.2 2636/1.8=79, 2511=71...(19) HA VAL 133 - HB2 LYS 86 far 0 65 0 - 7.9-9.8 HA THR 83 - HB3 LYS 19 far 0 82 0 - 8.6-36.7 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 5 assignments used, quality = 1.00: * HA LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.5-2.9 3.0=100 HB2 SER 33 - HB3 LYS 31 far 0 43 0 - 7.2-8.3 HA3 GLY 75 - HB3 LYS 19 far 0 80 0 - 8.3-29.9 HA LYS 86 - HB3 LYS 19 far 0 82 0 - 9.7-37.1 HB2 SER 94 - HB2 LYS 86 far 0 96 0 - 9.7-12.5 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 10 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 far 0 46 0 - 4.1-4.9 HB2 GLN 27 - HB3 LYS 31 far 0 57 0 - 5.3-11.0 HB3 ARG 90 - HB2 LYS 86 far 0 99 0 - 6.4-8.7 HB2 GLN 27 - HB3 LYS 19 far 0 78 0 - 7.6-19.8 HB3 PRO 81 - HB3 LYS 19 far 0 80 0 - 8.2-37.1 HB3 ARG 90 - HB3 LYS 19 far 0 80 0 - 8.2-37.6 HB2 GLU 30 - HB3 LYS 19 far 0 65 0 - 8.4-23.5 HB3 PRO 81 - HB2 LYS 86 far 0 100 0 - 8.4-11.1 HB3 LYS 86 - HB3 LYS 19 far 0 82 0 - 9.6-36.6 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 2.3-2.7 3.0=100 HG3 LYS 19 + HB3 LYS 19 OK 53 53 100 100 2.2-2.2 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 far 5 48 10 - 3.5-12.8 HG3 LYS 31 - HB3 LYS 19 far 0 44 0 - 4.5-24.5 HG13 ILE 32 - HB3 LYS 31 far 0 50 0 - 5.5-6.8 QB ALA 28 - HB3 LYS 31 far 0 29 0 - 6.3-7.6 HG3 LYS 19 - HB3 LYS 31 far 0 37 0 - 6.3-24.1 QB ALA 16 - HB3 LYS 31 far 0 40 0 - 6.4-24.2 QB ALA 16 - HB3 LYS 19 far 0 57 0 - 6.6-10.0 QB ALA 34 - HB3 LYS 19 far 0 82 0 - 6.8-21.7 HG3 LYS 19 - HB2 LYS 86 far 0 73 0 - 7.6-37.3 HG2 LYS 86 - HB3 LYS 19 far 0 82 0 - 8.2-35.0 QB ALA 16 - HB2 LYS 86 far 0 78 0 - 8.9-35.5 QB ALA 92 - HB2 LYS 86 far 0 90 0 - 9.0-9.9 QB ALA 34 - HB3 LYS 31 far 0 60 0 - 9.3-10.0 HG2 LYS 26 - HB3 LYS 19 far 0 66 0 - 9.5-18.7 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 6 assignments used, quality = 1.00: * HG3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 45 45 100 100 2.3-3.0 3.0=100 HG2 LYS 31 - HB3 LYS 19 far 0 63 0 - 5.6-22.9 HG3 LYS 24 - HB3 LYS 19 far 0 44 0 - 5.6-13.8 HG3 LYS 86 - HB3 LYS 19 far 0 82 0 - 8.1-35.0 HG3 LYS 24 - HB3 LYS 31 far 0 31 0 - 8.8-21.0 Violated in 0 structures by 0.00 A. Peak 2631 from aliabs.peaks (1.66, 1.79, 32.49 ppm; 4.19 A): 6 out of 25 assignments used, quality = 1.00: * HD2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 3.5-3.8 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.5-2.9 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 80 80 100 100 3.5-4.1 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 78 78 100 100 3.3-4.2 3.9=100 HD2 LYS 31 + HB3 LYS 31 OK 60 60 100 100 2.0-3.8 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 60 60 100 100 2.1-4.1 3.5=100 HD3 LYS 26 - HB3 LYS 31 far 6 59 10 - 3.5-10.7 HD2 LYS 31 - HB3 LYS 19 far 4 82 5 - 3.4-23.3 HD3 LYS 31 - HB3 LYS 19 far 4 81 5 - 3.0-23.2 HD2 LYS 26 - HB3 LYS 31 far 3 60 5 - 4.7-11.2 QB ALA 88 - HB2 LYS 86 far 0 99 0 - 6.3-6.9 HD3 LYS 24 - HB3 LYS 19 far 0 81 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 80 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 82 0 - 6.8-32.9 HG2 ARG 84 - HB2 LYS 86 far 0 85 0 - 7.2-8.5 HD3 LYS 86 - HB3 LYS 19 far 0 81 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 57 0 - 8.1-26.2 HG3 ARG 84 - HB2 LYS 86 far 0 90 0 - 8.2-9.7 HD3 LYS 19 - HB2 LYS 86 far 0 99 0 - 8.4-38.5 HD2 LYS 19 - HB3 LYS 31 far 0 59 0 - 8.4-26.6 HD2 LYS 36 - HB3 LYS 31 far 0 59 0 - 9.3-10.5 HD2 LYS 19 - HB2 LYS 86 far 0 99 0 - 9.3-38.4 HD3 LYS 26 - HB3 LYS 19 far 0 80 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 81 0 - 9.5-19.2 HD2 LYS 24 - HB3 LYS 31 far 0 59 0 - 10.0-22.7 Violated in 0 structures by 0.00 A. Peak 2632 from aliabs.peaks (1.65, 1.79, 32.49 ppm; 4.18 A): 6 out of 25 assignments used, quality = 1.00: * HD3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.5-2.9 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 3.5-3.8 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 81 81 100 100 3.5-4.1 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 80 80 100 100 3.3-4.2 3.9=100 HD2 LYS 31 + HB3 LYS 31 OK 60 60 100 100 2.0-3.8 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 59 59 100 100 2.1-4.1 3.5=100 HD3 LYS 26 - HB3 LYS 31 far 6 57 10 - 3.5-10.7 HD2 LYS 31 - HB3 LYS 19 far 4 81 5 - 3.4-23.3 HD3 LYS 31 - HB3 LYS 19 far 4 80 5 - 3.0-23.2 HD2 LYS 26 - HB3 LYS 31 far 3 59 5 - 4.7-11.2 QB ALA 88 - HB2 LYS 86 far 0 97 0 - 6.3-6.9 HD3 LYS 24 - HB3 LYS 19 far 0 82 0 - 6.4-14.8 HD2 LYS 24 - HB3 LYS 19 far 0 78 0 - 6.8-14.4 HD2 LYS 86 - HB3 LYS 19 far 0 81 0 - 6.8-32.9 HG2 ARG 84 - HB2 LYS 86 far 0 90 0 - 7.2-8.5 HD3 LYS 86 - HB3 LYS 19 far 0 82 0 - 7.7-33.8 HD3 LYS 19 - HB3 LYS 31 far 0 59 0 - 8.1-26.2 HG3 ARG 84 - HB2 LYS 86 far 0 95 0 - 8.2-9.7 HD3 LYS 19 - HB2 LYS 86 far 0 100 0 - 8.4-38.5 HD2 LYS 19 - HB3 LYS 31 far 0 60 0 - 8.4-26.6 HD2 LYS 36 - HB3 LYS 31 far 0 57 0 - 9.3-10.5 HD2 LYS 19 - HB2 LYS 86 far 0 100 0 - 9.3-38.4 HD3 LYS 26 - HB3 LYS 19 far 0 77 0 - 9.5-20.2 HD2 LYS 26 - HB3 LYS 19 far 0 80 0 - 9.5-19.2 HD2 LYS 24 - HB3 LYS 31 far 0 57 0 - 10.0-22.7 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 2.9-4.7 4.9=100 HE2 LYS 86 - HB3 LYS 19 far 0 82 0 - 6.1-33.9 Violated in 0 structures by 0.00 A. Peak 2634 from aliabs.peaks (2.95, 1.79, 32.49 ppm; 5.04 A): 5 out of 21 assignments used, quality = 1.00: * HE3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 1.8-3.6 4.9=100 HE2 LYS 19 + HB3 LYS 19 OK 81 82 100 100 3.3-5.4 5.1=98, 10705/10712=26...(57) HE3 LYS 19 + HB3 LYS 19 OK 81 82 100 100 3.2-5.4 5.1=98, 10705/10712=19...(57) HE3 LYS 31 + HB3 LYS 31 OK 60 60 100 100 2.2-5.0 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 60 60 100 100 2.0-5.3 4.8=100 HE3 LYS 31 - HB3 LYS 19 far 4 81 5 - 4.9-25.2 HE2 LYS 31 - HB3 LYS 19 far 4 81 5 - 5.6-25.7 HE3 LYS 24 - HB3 LYS 19 far 4 78 5 - 5.6-14.9 HE3 LYS 26 - HB3 LYS 31 far 0 58 0 - 6.0-13.3 HE2 LYS 26 - HB3 LYS 31 far 0 60 0 - 6.3-12.4 HE2 LYS 24 - HB3 LYS 19 far 0 81 0 - 6.7-14.4 HE3 LYS 86 - HB3 LYS 19 far 0 82 0 - 6.9-34.7 HE3 LYS 19 - HB2 LYS 86 far 0 100 0 - 7.1-39.5 HE3 LYS 26 - HB3 LYS 19 far 0 79 0 - 7.3-19.5 HE2 LYS 26 - HB3 LYS 19 far 0 81 0 - 8.0-20.4 HE3 LYS 19 - HB3 LYS 31 far 0 60 0 - 8.0-27.4 HE2 LYS 19 - HB3 LYS 31 far 0 60 0 - 8.2-25.8 HE2 LYS 19 - HB2 LYS 86 far 0 100 0 - 8.2-39.5 HE3 LYS 36 - HB3 LYS 31 far 0 59 0 - 9.2-12.0 HE2 LYS 24 - HB3 LYS 31 far 0 60 0 - 9.3-22.4 HE2 LYS 36 - HB3 LYS 31 far 0 59 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 2636 from aliabs.peaks (3.74, 1.96, 32.49 ppm; 4.21 A): 1 out of 6 assignments used, quality = 1.00: * HA THR 83 + HB3 LYS 86 OK 100 100 100 100 2.0-3.0 2624/1.8=75, 2512=64...(19) HB2 SER 99 - HB3 LYS 95 far 0 25 0 - 4.8-6.4 HA VAL 133 - HB3 PRO 81 far 0 61 0 - 6.7-7.5 HA THR 83 - HB3 PRO 81 far 0 98 0 - 7.1-8.5 HA GLU 97 - HB3 LYS 95 far 0 24 0 - 7.5-8.1 HA VAL 133 - HB3 LYS 86 far 0 65 0 - 8.3-9.2 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 5 assignments used, quality = 1.00: * HA LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 SER 60 + HB2 PRO 58 OK 31 46 100 69 2.7-4.8 4.0/10979=40...(5) HB3 SER 60 + HB2 PRO 58 OK 31 46 100 69 3.2-4.9 4.0/10979=40...(5) HB2 SER 94 - HB3 LYS 95 far 0 32 0 - 6.4-7.4 HA LYS 86 - HB3 PRO 81 far 0 98 0 - 8.5-10.1 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 11 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 far 0 32 0 - 5.7-7.0 HB2 ARG 84 - HB3 LYS 86 far 0 92 0 - 6.3-7.1 HB3 ARG 135 - HB3 PRO 81 far 0 69 0 - 6.5-8.3 HB3 LEU 122 - HB3 LYS 95 far 0 36 0 - 6.9-9.8 HB2 ARG 84 - HB3 PRO 81 far 0 87 0 - 7.9-9.5 HG LEU 100 - HB3 LYS 95 far 0 24 0 - 8.2-9.5 HB3 LYS 19 - HB3 PRO 81 far 0 90 0 - 8.2-37.1 HB2 LYS 86 - HB3 PRO 81 far 0 98 0 - 8.4-11.1 HB3 ARG 135 - HB3 LYS 86 far 0 73 0 - 8.9-10.3 HB3 LYS 19 - HB3 LYS 86 far 0 95 0 - 9.6-36.6 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): 2 out of 11 assignments used, quality = 1.00: * HG2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 LYS 95 + HB3 LYS 95 OK 20 20 100 100 2.2-3.0 3.0=100 QB ALA 92 - HB3 LYS 95 far 0 29 0 - 5.0-5.7 QB ALA 109 - HB2 PRO 58 far 0 37 0 - 5.2-6.9 HG LEU 96 - HB3 LYS 95 far 0 29 0 - 6.6-7.6 HG3 LYS 19 - HB3 PRO 81 far 0 69 0 - 7.7-38.3 HG2 LYS 86 - HB3 PRO 81 far 0 98 0 - 8.6-11.1 HG3 LYS 19 - HB3 LYS 86 far 0 73 0 - 8.6-37.8 QB ALA 16 - HB3 PRO 81 far 0 74 0 - 9.0-37.6 QB ALA 92 - HB3 LYS 86 far 0 90 0 - 9.4-10.1 QB ALA 16 - HB3 LYS 86 far 0 78 0 - 9.9-36.1 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 2.2-2.6 3.0=100 HG3 LYS 86 - HB3 PRO 81 far 0 98 0 - 7.4-11.5 QB ALA 52 - HB2 PRO 58 far 0 64 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 2643 from aliabs.peaks (1.66, 1.96, 32.49 ppm; 4.35 A): 5 out of 20 assignments used, quality = 1.00: * HD2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 3.6-3.9 3.5=100 HD3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.4-2.9 3.5=100 HD2 LYS 95 + HB3 LYS 95 OK 36 36 100 100 2.1-4.2 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 36 36 100 100 2.4-4.2 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 30 33 90 100 4.3-5.6 3158/3.0=68, ~2963=41...(22) HG2 ARG 84 - HB3 LYS 86 far 0 85 0 - 6.0-7.3 QB ALA 88 - HB3 LYS 86 far 0 99 0 - 6.0-6.6 HG LEU 62 - HB2 PRO 58 far 0 59 0 - 6.3-6.6 HG3 ARG 84 - HB3 LYS 86 far 0 90 0 - 6.8-8.6 HG2 ARG 84 - HB3 PRO 81 far 0 80 0 - 6.8-10.8 HD2 LYS 39 - HB3 PRO 81 far 0 71 0 - 7.6-10.6 HG3 ARG 84 - HB3 PRO 81 far 0 86 0 - 7.7-10.6 HD3 LYS 19 - HB3 LYS 86 far 0 99 0 - 7.9-39.2 HD2 LYS 19 - HB3 LYS 86 far 0 99 0 - 8.7-39.0 HD2 LYS 86 - HB3 PRO 81 far 0 98 0 - 9.2-11.5 QB ALA 88 - HB3 LYS 95 far 0 35 0 - 9.3-10.7 HD3 LYS 86 - HB3 PRO 81 far 0 97 0 - 9.4-10.8 HD3 LYS 19 - HB3 PRO 81 far 0 95 0 - 9.5-40.2 QB ALA 88 - HB3 PRO 81 far 0 96 0 - 9.5-11.5 HB2 LEU 123 - HB3 LYS 95 far 0 35 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 2644 from aliabs.peaks (1.65, 1.96, 32.49 ppm; 4.35 A): 5 out of 20 assignments used, quality = 1.00: * HD3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.4-2.9 3.5=100 HD2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 3.6-3.9 3.5=100 HD2 LYS 95 + HB3 LYS 95 OK 36 36 100 100 2.1-4.2 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 35 35 100 100 2.4-4.2 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 31 35 90 100 4.3-5.6 3158/3.0=70, ~2963=41...(22) HG2 ARG 84 - HB3 LYS 86 far 0 90 0 - 6.0-7.3 QB ALA 88 - HB3 LYS 86 far 0 97 0 - 6.0-6.6 HG LEU 62 - HB2 PRO 58 far 0 62 0 - 6.3-6.6 HG3 ARG 84 - HB3 LYS 86 far 0 95 0 - 6.8-8.6 HG2 ARG 84 - HB3 PRO 81 far 0 86 0 - 6.8-10.8 HD2 LYS 39 - HB3 PRO 81 far 0 64 0 - 7.6-10.6 HG3 ARG 84 - HB3 PRO 81 far 0 90 0 - 7.7-10.6 HD3 LYS 19 - HB3 LYS 86 far 0 100 0 - 7.9-39.2 HD2 LYS 19 - HB3 LYS 86 far 0 100 0 - 8.7-39.0 HD2 LYS 86 - HB3 PRO 81 far 0 97 0 - 9.2-11.5 QB ALA 88 - HB3 LYS 95 far 0 33 0 - 9.3-10.7 HD3 LYS 86 - HB3 PRO 81 far 0 98 0 - 9.4-10.8 HD3 LYS 19 - HB3 PRO 81 far 0 97 0 - 9.5-40.2 QB ALA 88 - HB3 PRO 81 far 0 94 0 - 9.5-11.5 HB2 LEU 123 - HB3 LYS 95 far 0 36 0 - 9.5-10.8 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 3.4-4.6 2695=100, 1.8/2706=99...(19) HB3 HIS 5 - HB3 LYS 95 far 0 35 0 - 7.5-56.3 HE2 LYS 86 - HB3 PRO 81 far 0 98 0 - 7.7-11.6 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 11 assignments used, quality = 1.00: * HE3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.0-3.5 2706=100, 1.8/2695=84...(20) HB3 ASN 121 - HB3 LYS 95 far 0 23 0 - 5.5-7.6 HE3 LYS 19 - HB3 LYS 86 far 0 100 0 - 6.2-40.1 HE2 LYS 39 - HB3 PRO 81 far 0 64 0 - 6.7-11.9 HE3 LYS 39 - HB3 PRO 81 far 0 64 0 - 6.9-11.4 HE2 LYS 19 - HB3 LYS 86 far 0 100 0 - 7.3-40.1 HE3 LYS 86 - HB3 PRO 81 far 0 98 0 - 7.4-12.0 HE3 LYS 19 - HB3 PRO 81 far 0 98 0 - 7.5-40.6 HE2 LYS 19 - HB3 PRO 81 far 0 98 0 - 8.2-40.5 HD2 ARG 135 - HB3 PRO 81 far 0 56 0 - 9.2-11.5 HD2 ARG 135 - HB3 LYS 86 far 0 60 0 - 9.6-11.8 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 3 assignments used, quality = 1.00: * HA LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.1-2.9 3.7=100 HA3 GLY 75 - HG2 LYS 86 far 0 99 0 - 9.6-10.2 HB2 SER 94 - HG2 LYS 86 far 0 96 0 - 9.7-11.5 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 5 assignments used, quality = 1.00: * HB2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 LYS 19 - HG2 LYS 86 far 0 95 0 - 8.2-35.0 HB2 ARG 84 - HG2 LYS 86 far 0 92 0 - 8.6-9.6 HB3 ARG 23 - HG2 LYS 86 far 0 73 0 - 9.3-27.8 HB3 ARG 135 - HG2 LYS 86 far 0 73 0 - 9.3-12.1 Violated in 0 structures by 0.00 A. Peak 2651 from aliabs.peaks (1.96, 1.41, 25.19 ppm; 4.20 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 ARG 90 - HG2 LYS 86 far 0 99 0 - 6.0-7.7 HB3 PRO 81 - HG2 LYS 86 far 0 100 0 - 8.6-11.1 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 7 assignments used, quality = 1.00: * HD2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.3-2.5 3.0=100 HD3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 88 - HG2 LYS 86 far 0 99 0 - 7.0-7.6 HD3 LYS 19 - HG2 LYS 86 far 0 99 0 - 8.0-37.5 HG2 ARG 84 - HG2 LYS 86 far 0 85 0 - 8.2-10.0 HD2 LYS 19 - HG2 LYS 86 far 0 99 0 - 9.3-37.4 HG3 ARG 84 - HG2 LYS 86 far 0 90 0 - 9.4-11.2 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 7 assignments used, quality = 1.00: * HD3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.3-2.5 3.0=100 QB ALA 88 - HG2 LYS 86 far 0 97 0 - 7.0-7.6 HD3 LYS 19 - HG2 LYS 86 far 0 100 0 - 8.0-37.5 HG2 ARG 84 - HG2 LYS 86 far 0 90 0 - 8.2-10.0 HD2 LYS 19 - HG2 LYS 86 far 0 100 0 - 9.3-37.4 HG3 ARG 84 - HG2 LYS 86 far 0 95 0 - 9.4-11.2 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 2.4-3.7 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 3 assignments used, quality = 1.00: * HE3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.5-3.7 3.7=100 HE3 LYS 19 - HG2 LYS 86 far 5 100 5 - 6.8-38.5 HE2 LYS 19 - HG2 LYS 86 far 0 100 0 - 8.4-38.3 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 6 assignments used, quality = 1.00: * HA LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.1-3.4 3.7=100 HB2 SER 33 - HG3 LYS 36 far 0 36 0 - 5.7-7.1 HA ALA 41 - HG3 LYS 36 far 0 26 0 - 7.4-8.7 HA3 GLY 75 - HG3 LYS 36 far 0 49 0 - 8.8-10.2 HB2 SER 94 - HG3 LYS 86 far 0 96 0 - 9.4-13.2 HA3 GLY 75 - HG3 LYS 86 far 0 99 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 2661 from aliabs.peaks (1.79, 1.48, 25.19 ppm; 4.81 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 LYS 36 + HG3 LYS 36 OK 32 32 100 100 2.2-2.9 3.0=100 HB2 ARG 84 - HG3 LYS 86 far 0 92 0 - 7.4-9.3 HB ILE 32 - HG3 LYS 36 far 0 39 0 - 7.4-8.7 HB3 LYS 19 - HG3 LYS 86 far 0 95 0 - 8.1-35.0 HB3 ARG 135 - HG3 LYS 86 far 0 73 0 - 9.0-12.1 HB3 ARG 23 - HG3 LYS 86 far 0 73 0 - 9.3-27.9 Violated in 0 structures by 0.00 A. Peak 2662 from aliabs.peaks (1.96, 1.48, 25.19 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.2-2.6 3.0=100 HB3 ARG 90 - HG3 LYS 86 far 0 99 0 - 5.6-9.2 HB ILE 37 - HG3 LYS 36 far 0 45 0 - 6.6-6.8 HB3 PRO 81 - HG3 LYS 86 far 0 100 0 - 7.4-11.5 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 8 assignments used, quality = 1.00: * HG2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 34 - HG3 LYS 36 far 0 50 0 - 7.4-7.6 HG3 LYS 19 - HG3 LYS 86 far 0 73 0 - 7.5-36.1 QB ALA 34 - HG3 LYS 86 far 0 100 0 - 8.2-11.3 HG3 LYS 31 - HG3 LYS 36 far 0 25 0 - 8.7-13.1 QB ALA 92 - HG3 LYS 86 far 0 90 0 - 8.9-10.7 HG13 ILE 32 - HG3 LYS 36 far 0 42 0 - 9.7-10.9 QB ALA 16 - HG3 LYS 86 far 0 78 0 - 9.9-34.9 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 13 assignments used, quality = 1.00: * HD2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-2.6 3.0=100 HD3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 49 49 100 100 2.7-2.9 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 49 49 100 100 2.8-3.0 3.0=100 HD3 LYS 19 - HG3 LYS 86 far 0 99 0 - 6.8-37.6 QB ALA 88 - HG3 LYS 86 far 0 99 0 - 7.0-7.8 HG2 ARG 84 - HG3 LYS 86 far 0 85 0 - 7.2-9.7 HD2 LYS 19 - HG3 LYS 86 far 0 99 0 - 8.0-37.5 HG3 ARG 84 - HG3 LYS 86 far 0 90 0 - 8.1-10.9 HD3 LYS 26 - HG3 LYS 36 far 0 49 0 - 8.3-14.1 HD2 LYS 26 - HG3 LYS 36 far 0 50 0 - 8.6-12.6 HD3 LYS 31 - HG3 LYS 36 far 0 50 0 - 9.4-14.3 HD2 LYS 31 - HG3 LYS 36 far 0 50 0 - 9.5-14.0 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 13 assignments used, quality = 1.00: * HD3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-2.6 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 48 48 100 100 2.7-2.9 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 47 47 100 100 2.8-3.0 3.0=100 HD3 LYS 19 - HG3 LYS 86 far 0 100 0 - 6.8-37.6 QB ALA 88 - HG3 LYS 86 far 0 97 0 - 7.0-7.8 HG2 ARG 84 - HG3 LYS 86 far 0 90 0 - 7.2-9.7 HD2 LYS 19 - HG3 LYS 86 far 0 100 0 - 8.0-37.5 HG3 ARG 84 - HG3 LYS 86 far 0 95 0 - 8.1-10.9 HD3 LYS 26 - HG3 LYS 36 far 0 47 0 - 8.3-14.1 HD2 LYS 26 - HG3 LYS 36 far 0 49 0 - 8.6-12.6 HD3 LYS 31 - HG3 LYS 36 far 0 49 0 - 9.4-14.3 HD2 LYS 31 - HG3 LYS 36 far 0 50 0 - 9.5-14.0 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 2.6-4.1 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 9 assignments used, quality = 1.00: * HE3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-3.8 3.7=100 HE3 LYS 36 + HG3 LYS 36 OK 49 49 100 100 2.0-3.5 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 49 49 100 100 2.0-3.5 4.0=100 HE3 LYS 19 - HG3 LYS 86 far 5 100 5 - 5.3-38.4 HE2 LYS 19 - HG3 LYS 86 far 0 100 0 - 6.8-38.4 HE2 LYS 26 - HG3 LYS 36 far 0 50 0 - 7.1-13.4 HE3 LYS 26 - HG3 LYS 36 far 0 48 0 - 8.8-14.3 HE2 LYS 31 - HG3 LYS 36 far 0 50 0 - 8.9-14.6 HE3 LYS 31 - HG3 LYS 36 far 0 50 0 - 9.7-14.5 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 3 assignments used, quality = 1.00: * HA LYS 86 + HD2 LYS 86 OK 100 100 100 100 4.4-4.8 5.5=98, 2704/3.0=91...(28) HA LYS 86 + HD3 LYS 86 OK 100 100 100 100 4.4-4.6 5.5=98, 2704/3.0=91...(30) HA3 GLY 75 - HD2 LYS 86 far 0 99 0 - 9.5-10.3 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 8 assignments used, quality = 1.00: * HB2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 3.5-3.8 3.5=100 HB2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-2.9 3.5=100 HB3 LYS 19 - HD2 LYS 86 far 0 95 0 - 6.8-32.9 HB3 ARG 23 - HD2 LYS 86 far 0 73 0 - 7.0-25.7 HB3 LYS 19 - HD3 LYS 86 far 0 94 0 - 7.7-33.8 HB3 ARG 23 - HD3 LYS 86 far 0 72 0 - 7.8-26.7 HB2 ARG 84 - HD3 LYS 86 far 0 91 0 - 8.3-9.4 HB2 ARG 84 - HD2 LYS 86 far 0 92 0 - 9.4-10.7 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 3.6-3.9 3.5=100 HB3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-2.9 3.5=100 HB3 ARG 90 - HD2 LYS 86 far 0 99 0 - 7.1-8.8 HB3 ARG 90 - HD3 LYS 86 far 0 99 0 - 7.8-8.9 HB3 PRO 81 - HD2 LYS 86 far 0 100 0 - 9.2-11.5 HB3 PRO 81 - HD3 LYS 86 far 0 99 0 - 9.4-10.8 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 8 assignments used, quality = 1.00: * HG2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.3-2.5 3.0=100 HG2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 19 - HD2 LYS 86 far 0 73 0 - 6.6-34.0 HG3 LYS 19 - HD3 LYS 86 far 0 72 0 - 7.2-35.0 QB ALA 34 - HD2 LYS 86 far 0 100 0 - 7.4-10.2 QB ALA 34 - HD3 LYS 86 far 0 100 0 - 8.8-11.4 QB ALA 16 - HD3 LYS 86 far 0 77 0 - 9.1-33.8 QB ALA 16 - HD2 LYS 86 far 0 78 0 - 9.7-33.0 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 3 assignments used, quality = 1.00: * HG3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-2.6 3.0=100 HG3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 24 - HD2 LYS 86 far 0 63 0 - 9.7-25.0 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 2.2-2.5 3.0=100 HE2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.8-3.0 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 6 assignments used, quality = 1.00: * HE3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.8-3.0 3.0=100 HE3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-2.9 3.0=100 HE3 LYS 19 - HD3 LYS 86 far 0 100 0 - 4.9-37.3 HE3 LYS 19 - HD2 LYS 86 far 0 100 0 - 5.1-36.3 HE2 LYS 19 - HD3 LYS 86 far 0 100 0 - 6.2-37.3 HE2 LYS 19 - HD2 LYS 86 far 0 100 0 - 6.7-36.3 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 3 assignments used, quality = 1.00: * HA LYS 86 + HD3 LYS 86 OK 100 100 100 100 4.4-4.6 5.5=98, 2704/3.0=91...(30) HA LYS 86 + HD2 LYS 86 OK 100 100 100 100 4.4-4.8 5.5=98, 2704/3.0=91...(28) HA3 GLY 75 - HD2 LYS 86 far 0 99 0 - 9.5-10.3 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 8 assignments used, quality = 1.00: * HB2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-2.9 3.5=100 HB2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 3.5-3.8 3.5=100 HB3 LYS 19 - HD2 LYS 86 far 0 94 0 - 6.8-32.9 HB3 ARG 23 - HD2 LYS 86 far 0 72 0 - 7.0-25.7 HB3 LYS 19 - HD3 LYS 86 far 0 95 0 - 7.7-33.8 HB3 ARG 23 - HD3 LYS 86 far 0 73 0 - 7.8-26.7 HB2 ARG 84 - HD3 LYS 86 far 0 92 0 - 8.3-9.4 HB2 ARG 84 - HD2 LYS 86 far 0 91 0 - 9.4-10.7 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 2.4-2.9 3.5=100 HB3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 3.6-3.9 3.5=100 HB3 ARG 90 - HD2 LYS 86 far 0 99 0 - 7.1-8.8 HB3 ARG 90 - HD3 LYS 86 far 0 99 0 - 7.8-8.9 HB3 PRO 81 - HD2 LYS 86 far 0 99 0 - 9.2-11.5 HB3 PRO 81 - HD3 LYS 86 far 0 100 0 - 9.4-10.8 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 8 assignments used, quality = 1.00: * HG2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.3-2.5 3.0=100 HG3 LYS 19 - HD2 LYS 86 far 0 72 0 - 6.6-34.0 HG3 LYS 19 - HD3 LYS 86 far 0 73 0 - 7.2-35.0 QB ALA 34 - HD2 LYS 86 far 0 100 0 - 7.4-10.2 QB ALA 34 - HD3 LYS 86 far 0 100 0 - 8.8-11.4 QB ALA 16 - HD3 LYS 86 far 0 78 0 - 9.1-33.8 QB ALA 16 - HD2 LYS 86 far 0 77 0 - 9.7-33.0 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 3 assignments used, quality = 1.00: * HG3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-2.6 3.0=100 HG3 LYS 24 - HD2 LYS 86 far 0 62 0 - 9.7-25.0 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 2.8-3.0 3.0=100 HE2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.2-2.5 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 6 assignments used, quality = 1.00: * HE3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-2.9 3.0=100 HE3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.8-3.0 3.0=100 HE3 LYS 19 - HD3 LYS 86 far 0 100 0 - 4.9-37.3 HE3 LYS 19 - HD2 LYS 86 far 0 100 0 - 5.1-36.3 HE2 LYS 19 - HD3 LYS 86 far 0 100 0 - 6.2-37.3 HE2 LYS 19 - HD2 LYS 86 far 0 100 0 - 6.7-36.3 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 3.6-5.0 2704/1.8=93, 3.0/2694=77...(20) HB2 SER 94 - HE2 LYS 86 far 0 96 0 - 8.8-13.8 HA3 GLY 75 - HE2 LYS 86 far 0 99 0 - 9.1-10.0 Violated in 4 structures by 0.04 A. Peak 2694 from aliabs.peaks (1.79, 3.06, 41.48 ppm; 3.98 A): 1 out of 4 assignments used, quality = 0.90: * HB2 LYS 86 + HE2 LYS 86 OK 90 100 90 100 2.9-4.7 1.8/2695=64, ~2706=58...(20) HB3 LYS 19 - HE2 LYS 86 far 0 95 0 - 6.1-33.9 HB3 ARG 23 - HE2 LYS 86 far 0 73 0 - 8.0-26.5 HB2 ARG 84 - HE2 LYS 86 far 0 92 0 - 8.6-11.2 Violated in 3 structures by 0.09 A. Peak 2695 from aliabs.peaks (1.96, 3.06, 41.48 ppm; 4.57 A increased from 4.06 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 3.4-4.6 2706/1.8=97, 1.8/2694=91...(19) HB3 ARG 90 - HE2 LYS 86 far 0 99 0 - 5.8-9.6 HB3 PRO 81 - HE2 LYS 86 far 0 100 0 - 7.7-11.6 HB ILE 37 - HE2 LYS 86 far 0 96 0 - 9.5-11.4 Violated in 1 structures by 0.00 A. Peak 2696 from aliabs.peaks (1.41, 3.06, 41.48 ppm; 3.90 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.4-3.7 3.7=100 HG3 LYS 19 - HE2 LYS 86 far 0 73 0 - 5.1-34.9 QB ALA 34 - HE2 LYS 86 far 0 100 0 - 7.4-9.7 QB ALA 92 - HE2 LYS 86 far 0 90 0 - 9.3-11.8 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 2 assignments used, quality = 1.00: * HG3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.6-4.1 3.7=100 HG3 LYS 24 - HE2 LYS 86 far 0 63 0 - 8.6-25.4 Violated in 3 structures by 0.02 A. Peak 2698 from aliabs.peaks (1.66, 3.06, 41.48 ppm; 3.55 A): 2 out of 8 assignments used, quality = 1.00: * HD2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.2-2.5 3.0=100 HD3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.8-3.0 3.0=100 HD3 LYS 19 - HE2 LYS 86 far 0 99 0 - 7.3-36.2 QB ALA 88 - HE2 LYS 86 far 0 99 0 - 7.9-9.6 HD2 LYS 19 - HE2 LYS 86 far 0 99 0 - 8.0-36.1 HG2 ARG 84 - HE2 LYS 86 far 0 85 0 - 8.9-11.2 HG3 ARG 84 - HE2 LYS 86 far 0 90 0 - 9.9-12.5 HD2 LYS 24 - HE2 LYS 86 far 0 100 0 - 10.0-26.2 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 8 assignments used, quality = 1.00: * HD3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.8-3.0 3.0=100 HD2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.2-2.5 3.0=100 HD3 LYS 19 - HE2 LYS 86 far 0 100 0 - 7.3-36.2 QB ALA 88 - HE2 LYS 86 far 0 97 0 - 7.9-9.6 HD2 LYS 19 - HE2 LYS 86 far 0 100 0 - 8.0-36.1 HG2 ARG 84 - HE2 LYS 86 far 0 90 0 - 8.9-11.2 HG3 ARG 84 - HE2 LYS 86 far 0 95 0 - 9.9-12.5 HD2 LYS 24 - HE2 LYS 86 far 0 99 0 - 10.0-26.2 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 4 assignments used, quality = 1.00: * HE3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 19 - HE2 LYS 86 far 0 100 0 - 5.8-37.3 HE2 LYS 19 - HE2 LYS 86 far 0 100 0 - 7.5-37.2 HE3 LYS 24 - HE2 LYS 86 far 0 99 0 - 9.8-24.6 Violated in 0 structures by 0.00 A. Peak 2704 from aliabs.peaks (3.89, 2.95, 41.48 ppm; 4.00 A increased from 3.76 A): 1 out of 23 assignments used, quality = 1.00: * HA LYS 86 + HE3 LYS 86 OK 100 100 100 100 3.1-4.1 3.0/2706=66, 2693/1.8=58...(22) HB2 SER 33 - HE3 LYS 31 far 3 53 5 - 4.4-9.6 HB2 SER 33 - HE2 LYS 26 far 3 52 5 - 3.2-10.3 HB2 SER 33 - HE3 LYS 36 far 3 51 5 - 4.5-6.7 HB2 SER 33 - HE3 LYS 26 far 2 49 5 - 4.5-11.4 HB2 SER 33 - HE2 LYS 31 far 0 52 0 - 4.7-9.1 HB2 SER 33 - HE2 LYS 36 far 0 51 0 - 4.7-6.7 HB2 SER 94 - HE2 LYS 19 far 0 65 0 - 5.8-42.1 HB2 SER 94 - HE3 LYS 19 far 0 65 0 - 6.3-42.4 HA3 GLY 75 - HE2 LYS 26 far 0 69 0 - 6.8-11.8 HA3 GLY 75 - HE3 LYS 26 far 0 65 0 - 6.8-13.2 HA ALA 41 - HE2 LYS 36 far 0 39 0 - 7.7-10.0 HA ALA 41 - HE3 LYS 36 far 0 39 0 - 8.1-10.3 HA LYS 86 - HE3 LYS 19 far 0 73 0 - 8.3-40.5 HA3 GLY 75 - HE2 LYS 36 far 0 68 0 - 8.8-10.6 HA3 GLY 75 - HE2 LYS 31 far 0 69 0 - 8.9-14.5 HA3 GLY 75 - HE3 LYS 36 far 0 68 0 - 8.9-10.6 HB2 SER 94 - HE3 LYS 86 far 0 96 0 - 9.0-13.9 HA LYS 86 - HE2 LYS 19 far 0 73 0 - 9.6-40.4 HA3 GLY 75 - HE3 LYS 31 far 0 71 0 - 9.7-15.3 HA LEU 70 - HE2 LYS 19 far 0 71 0 - 9.8-39.2 HA3 GLY 75 - HE3 LYS 19 far 0 71 0 - 9.8-33.1 HA LEU 70 - HE3 LYS 19 far 0 71 0 - 10.0-39.9 Violated in 1 structures by 0.00 A. Peak 2705 from aliabs.peaks (1.79, 2.95, 41.48 ppm; 3.78 A): 9 out of 54 assignments used, quality = 1.00: * HB2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 1.8-3.6 1.8/2706=80, 2694/1.8=69...(20) HB2 LYS 36 + HE3 LYS 36 OK 44 46 100 96 2.8-4.2 4.9=45, ~1064=21...(64) HB3 LYS 31 + HE2 LYS 31 OK 38 55 75 92 2.0-5.3 4.8=48, 6332/7.1=13...(53) HB3 LYS 31 + HE3 LYS 31 OK 36 56 70 92 2.2-5.0 4.8=48, 6332/7.1=13...(53) HB2 LYS 36 + HE2 LYS 36 OK 31 46 70 96 3.5-4.5 4.9=45, ~1064=21...(64) HB3 LYS 19 + HE2 LYS 19 OK 26 64 45 91 3.3-5.4 5.1=41, 10712/10705=11...(53) HB3 LYS 19 + HE3 LYS 19 OK 26 64 45 90 3.2-5.4 5.1=41, 2634/1.8=9...(53) HB3 LYS 26 + HE3 LYS 26 OK 26 47 60 90 3.7-4.6 4.8=49, 6251/7.1=12...(54) HB3 LYS 24 + HE3 LYS 24 OK 23 47 55 90 2.4-4.6 5.1=42, 482/6.4=17...(27) HB3 LYS 24 - HE2 LYS 24 poor 19 53 40 90 2.0-5.0 5.1=42, 482/6.4=17...(27) HB3 LYS 26 - HE2 LYS 26 poor 13 50 25 - 3.6-5.0 HB3 ARG 23 - HE3 LYS 26 far 2 42 5 - 3.7-11.8 HB3 ARG 23 - HE2 LYS 26 far 0 45 0 - 4.6-12.5 HB ILE 32 - HE3 LYS 26 far 0 54 0 - 4.6-7.5 HB3 ARG 23 - HE2 LYS 24 far 0 46 0 - 4.7-9.9 HB3 LYS 19 - HE3 LYS 31 far 0 64 0 - 4.9-25.2 HB ILE 32 - HE2 LYS 26 far 0 57 0 - 4.9-6.6 HB2 LYS 36 - HE2 LYS 26 far 0 47 0 - 5.4-11.8 HB3 LYS 19 - HE3 LYS 24 far 0 57 0 - 5.6-14.9 HB3 LYS 19 - HE2 LYS 31 far 0 63 0 - 5.6-25.7 HB3 LYS 31 - HE3 LYS 26 far 0 52 0 - 6.0-13.3 HB3 ARG 23 - HE3 LYS 24 far 0 41 0 - 6.1-9.9 HB3 ARG 23 - HE2 LYS 31 far 0 45 0 - 6.2-23.1 HB ILE 32 - HE2 LYS 31 far 0 57 0 - 6.3-10.3 HB3 LYS 31 - HE2 LYS 26 far 0 55 0 - 6.3-12.4 HB3 ARG 23 - HE3 LYS 31 far 0 46 0 - 6.4-22.1 HB3 LYS 26 - HE3 LYS 31 far 0 51 0 - 6.5-14.0 HB3 LYS 19 - HE2 LYS 24 far 0 64 0 - 6.7-14.4 HB3 LYS 26 - HE2 LYS 31 far 0 50 0 - 6.8-14.2 HB2 ARG 84 - HE3 LYS 86 far 0 92 0 - 6.9-10.0 HB ILE 32 - HE3 LYS 36 far 0 56 0 - 6.9-8.8 HB3 LYS 19 - HE3 LYS 86 far 0 95 0 - 6.9-34.7 HB ILE 32 - HE3 LYS 31 far 0 58 0 - 7.1-10.4 HB2 LYS 86 - HE3 LYS 19 far 0 73 0 - 7.1-39.5 HB2 LYS 36 - HE3 LYS 26 far 0 44 0 - 7.1-12.9 HB3 LYS 19 - HE3 LYS 26 far 0 59 0 - 7.3-19.5 HB ILE 32 - HE2 LYS 36 far 0 56 0 - 7.3-9.1 HB3 LYS 24 - HE3 LYS 26 far 0 49 0 - 7.5-10.1 HB2 LYS 36 - HE2 LYS 31 far 0 47 0 - 7.8-13.6 HB3 LYS 19 - HE2 LYS 26 far 0 63 0 - 8.0-20.4 HB3 LYS 31 - HE3 LYS 19 far 0 57 0 - 8.0-27.4 HB3 LYS 31 - HE2 LYS 19 far 0 57 0 - 8.2-25.8 HB2 LYS 86 - HE2 LYS 19 far 0 73 0 - 8.2-39.5 HB3 LYS 24 - HE2 LYS 26 far 0 52 0 - 8.3-11.3 HB2 LYS 36 - HE3 LYS 31 far 0 48 0 - 8.5-13.7 HB3 ARG 23 - HE3 LYS 86 far 0 73 0 - 8.7-27.3 HB3 LYS 24 - HE3 LYS 19 far 0 53 0 - 8.8-18.1 HB3 LYS 31 - HE3 LYS 36 far 0 54 0 - 9.2-12.0 HB3 LYS 24 - HE2 LYS 19 far 0 53 0 - 9.2-17.7 HB3 ARG 23 - HE3 LYS 19 far 0 46 0 - 9.2-14.0 HB3 LYS 31 - HE2 LYS 24 far 0 56 0 - 9.3-22.4 HB3 LYS 31 - HE2 LYS 36 far 0 54 0 - 9.4-12.3 HB3 ARG 23 - HE2 LYS 19 far 0 46 0 - 9.5-14.0 HB3 ARG 135 - HE3 LYS 86 far 0 73 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 2706 from aliabs.peaks (1.96, 2.95, 41.48 ppm; 3.57 A increased from 3.36 A): 1 out of 23 assignments used, quality = 0.99: * HB3 LYS 86 + HE3 LYS 86 OK 99 100 100 99 2.0-3.5 2695/1.8=50, 3.0/2704=47...(19) HB2 GLN 27 - HE3 LYS 26 far 3 64 5 - 3.6-9.5 HB2 GLN 27 - HE2 LYS 26 far 0 68 0 - 4.2-9.9 HB3 ARG 90 - HE3 LYS 19 far 0 71 0 - 4.5-40.9 HB3 ARG 90 - HE2 LYS 19 far 0 71 0 - 5.3-40.6 HB2 GLU 30 - HE2 LYS 31 far 0 55 0 - 5.9-9.1 HB2 GLU 30 - HE3 LYS 31 far 0 56 0 - 6.0-9.4 HB3 ARG 90 - HE3 LYS 86 far 0 99 0 - 6.0-9.5 HB3 LYS 86 - HE3 LYS 19 far 0 73 0 - 6.2-40.1 HB2 GLU 30 - HE3 LYS 26 far 0 52 0 - 6.4-11.0 HB2 GLU 30 - HE2 LYS 26 far 0 55 0 - 6.4-10.5 HB ILE 37 - HE2 LYS 36 far 0 63 0 - 7.0-8.4 HB3 LYS 86 - HE2 LYS 19 far 0 73 0 - 7.3-40.1 HB3 PRO 81 - HE3 LYS 86 far 0 100 0 - 7.4-12.0 HB3 PRO 81 - HE3 LYS 19 far 0 72 0 - 7.5-40.6 HB ILE 37 - HE3 LYS 36 far 0 63 0 - 7.7-8.5 HB3 PRO 81 - HE2 LYS 19 far 0 72 0 - 8.2-40.5 HB2 GLN 27 - HE3 LYS 24 far 0 62 0 - 8.5-15.8 HB2 GLN 27 - HE3 LYS 31 far 0 69 0 - 8.5-14.7 HB2 GLN 27 - HE2 LYS 31 far 0 68 0 - 8.5-14.3 HB2 GLN 27 - HE2 LYS 19 far 0 70 0 - 8.9-22.6 HB ILE 37 - HE2 LYS 26 far 0 64 0 - 9.3-12.3 HB2 GLN 27 - HE2 LYS 24 far 0 69 0 - 10.0-15.9 Violated in 0 structures by 0.00 A. Peak 2707 from aliabs.peaks (1.41, 2.95, 41.48 ppm; 3.58 A): 7 out of 56 assignments used, quality = 1.00: * HG2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.5-3.7 3.7=88, 3.0/2706=55...(15) HG2 LYS 26 + HE2 LYS 26 OK 56 57 100 98 2.7-4.1 3.6=97, 6252/7.1=12...(19) HG2 LYS 26 + HE3 LYS 26 OK 52 54 100 98 2.2-3.8 3.6=97, 6252/7.1=12...(18) HG3 LYS 19 + HE2 LYS 19 OK 43 46 100 93 2.1-3.9 3.8=83, 3.0/2634=7...(26) HG3 LYS 19 + HE3 LYS 19 OK 43 46 100 92 2.2-3.7 3.8=83, 3.0/2634=7...(26) HG3 LYS 31 + HE3 LYS 31 OK 37 38 100 96 2.0-4.0 3.7=92, 3.8/11873=5...(19) HG3 LYS 31 + HE2 LYS 31 OK 34 37 95 96 2.1-4.2 3.7=92, 3.8/11873=6...(19) QB ALA 16 - HE2 LYS 19 poor 15 50 30 - 2.2-8.0 QB ALA 16 - HE3 LYS 19 poor 12 50 25 - 2.7-9.0 QB ALA 34 - HE2 LYS 26 far 11 71 15 - 3.1-7.1 HG13 ILE 32 - HE2 LYS 26 far 9 60 15 - 3.5-6.7 QB ALA 34 - HE3 LYS 26 far 3 67 5 - 4.0-7.8 QB ALA 16 - HE2 LYS 31 far 2 48 5 - 3.9-25.9 HG3 LYS 19 - HE3 LYS 31 far 0 46 0 - 4.4-25.7 HG13 ILE 32 - HE3 LYS 26 far 0 56 0 - 4.5-7.4 QB ALA 16 - HE3 LYS 31 far 0 50 0 - 5.2-26.1 HG3 LYS 19 - HE2 LYS 31 far 0 45 0 - 5.6-26.1 HG3 LYS 19 - HE3 LYS 86 far 0 73 0 - 5.8-35.8 QB ALA 28 - HE2 LYS 26 far 0 36 0 - 5.9-9.5 HG3 LYS 31 - HE2 LYS 26 far 0 37 0 - 6.1-13.8 HG3 LYS 31 - HE3 LYS 26 far 0 35 0 - 6.1-14.7 QB ALA 28 - HE3 LYS 26 far 0 33 0 - 6.1-9.5 HG3 LYS 31 - HE3 LYS 36 far 0 37 0 - 6.3-11.5 HG3 LYS 31 - HE2 LYS 36 far 0 37 0 - 6.5-12.0 HG2 LYS 26 - HE2 LYS 31 far 0 57 0 - 6.6-15.6 HG13 ILE 32 - HE2 LYS 31 far 0 60 0 - 6.7-10.1 HG2 LYS 86 - HE3 LYS 19 far 0 73 0 - 6.8-38.5 HG13 ILE 32 - HE3 LYS 31 far 0 61 0 - 6.9-10.1 HG2 LYS 26 - HE3 LYS 31 far 0 58 0 - 7.0-15.5 HG3 LYS 19 - HE3 LYS 24 far 0 41 0 - 7.0-15.8 QB ALA 34 - HE2 LYS 19 far 0 73 0 - 7.3-24.1 HG3 LYS 19 - HE3 LYS 26 far 0 42 0 - 7.3-20.0 QB ALA 34 - HE2 LYS 31 far 0 71 0 - 7.5-11.5 HG3 LYS 19 - HE2 LYS 26 far 0 45 0 - 7.6-21.0 QB ALA 34 - HE3 LYS 36 far 0 70 0 - 7.6-8.5 HG3 LYS 31 - HE3 LYS 19 far 0 39 0 - 7.7-28.1 QB ALA 28 - HE2 LYS 31 far 0 36 0 - 7.8-11.0 QB ALA 34 - HE2 LYS 36 far 0 70 0 - 7.9-8.4 QB ALA 28 - HE3 LYS 24 far 0 32 0 - 8.0-16.2 QB ALA 34 - HE3 LYS 31 far 0 72 0 - 8.0-12.3 QB ALA 28 - HE3 LYS 31 far 0 36 0 - 8.0-11.2 HG3 LYS 31 - HE2 LYS 24 far 0 38 0 - 8.1-23.8 HG2 LYS 86 - HE2 LYS 19 far 0 73 0 - 8.4-38.3 HG3 LYS 19 - HE2 LYS 24 far 0 46 0 - 8.4-15.9 QB ALA 34 - HE3 LYS 19 far 0 73 0 - 8.5-24.4 HG3 LYS 31 - HE2 LYS 19 far 0 39 0 - 8.6-26.5 QB ALA 34 - HE3 LYS 86 far 0 100 0 - 8.7-11.0 QB ALA 28 - HE2 LYS 24 far 0 36 0 - 8.9-15.9 HG13 ILE 32 - HE3 LYS 36 far 0 59 0 - 9.0-11.0 QB ALA 16 - HE2 LYS 24 far 0 50 0 - 9.1-18.0 HG13 ILE 32 - HE2 LYS 36 far 0 59 0 - 9.4-11.1 QB ALA 92 - HE3 LYS 86 far 0 90 0 - 9.6-11.3 QB ALA 16 - HE3 LYS 86 far 0 78 0 - 9.6-34.1 HG3 LYS 31 - HE3 LYS 24 far 0 34 0 - 9.8-23.3 HG2 LYS 26 - HE3 LYS 36 far 0 56 0 - 9.8-14.5 QB ALA 34 - HE3 LYS 24 far 0 66 0 - 9.9-15.9 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 25 assignments used, quality = 1.00: * HG3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-3.8 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 56 56 100 100 2.0-3.5 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 56 56 100 100 2.0-3.5 4.0=100 HG2 LYS 31 + HE3 LYS 31 OK 55 55 100 100 2.0-4.2 3.7=100 HG2 LYS 31 + HE2 LYS 31 OK 54 54 100 100 2.1-4.0 3.7=100 HG3 LYS 24 + HE2 LYS 24 OK 38 38 100 100 2.3-4.0 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 34 34 100 100 2.3-3.9 4.0=100 HG3 LYS 86 - HE3 LYS 19 far 4 73 5 - 5.3-38.4 HG2 LYS 31 - HE3 LYS 26 far 0 50 0 - 5.9-14.3 HG2 LYS 31 - HE2 LYS 26 far 0 54 0 - 6.5-13.4 HG3 LYS 86 - HE2 LYS 19 far 0 73 0 - 6.8-38.4 HG3 LYS 36 - HE2 LYS 26 far 0 57 0 - 7.1-13.4 HG2 LYS 31 - HE3 LYS 36 far 0 53 0 - 7.4-12.4 HG2 LYS 31 - HE3 LYS 19 far 0 55 0 - 7.7-26.4 HG2 LYS 31 - HE2 LYS 36 far 0 53 0 - 8.0-11.8 HG2 LYS 31 - HE2 LYS 19 far 0 55 0 - 8.4-24.8 HG3 LYS 24 - HE3 LYS 19 far 0 39 0 - 8.6-17.0 HG3 LYS 36 - HE3 LYS 26 far 0 54 0 - 8.8-14.3 HG3 LYS 36 - HE2 LYS 31 far 0 57 0 - 8.9-14.6 HG2 LYS 31 - HE2 LYS 24 far 0 55 0 - 9.0-23.6 HG3 LYS 24 - HE2 LYS 19 far 0 39 0 - 9.3-16.7 HG3 LYS 24 - HE3 LYS 26 far 0 35 0 - 9.3-11.4 HG3 LYS 24 - HE2 LYS 26 far 0 37 0 - 9.7-13.1 HG3 LYS 36 - HE3 LYS 31 far 0 58 0 - 9.7-14.5 HG3 LYS 24 - HE3 LYS 86 far 0 63 0 - 9.8-26.1 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 74 assignments used, quality = 1.00: * HD2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.8-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-2.9 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 2.3-3.0 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 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 71 71 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 71 71 100 100 2.2-3.0 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 2.2-2.9 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 70 70 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 69 69 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 69 69 100 100 2.5-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 68 68 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 68 68 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 65 65 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 64 64 100 100 2.3-3.0 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 72 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 73 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 73 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 73 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 73 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 72 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 73 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 67 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 71 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 67 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 69 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 73 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 69 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 69 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 69 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 71 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 68 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 85 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 70 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 71 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 70 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 99 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 70 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 71 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 70 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 72 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 70 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 69 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 71 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 65 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 99 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 71 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 90 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 64 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 70 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 71 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 99 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 62 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 70 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 66 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 67 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 55 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 70 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 66 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 68 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 71 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 55 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 72 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 68 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 64 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 65 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 69 0 - 9.9-17.4 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 74 assignments used, quality = 1.00: * HD3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.4-2.9 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.8-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 73 73 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 72 72 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 72 72 100 100 2.2-3.0 2.9=100 HD2 LYS 31 + HE3 LYS 31 OK 72 72 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 72 72 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE2 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 2.3-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 71 71 100 100 2.3-3.0 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 2.2-2.9 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 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 67 67 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 67 67 100 100 2.5-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 66 66 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 66 66 100 100 2.4-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 66 66 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 62 62 100 100 2.3-3.0 3.0=100 HD3 LYS 86 - HE3 LYS 19 far 0 73 0 - 4.9-37.3 HD2 LYS 86 - HE3 LYS 19 far 0 72 0 - 5.1-36.3 HD2 LYS 31 - HE3 LYS 19 far 0 73 0 - 5.6-26.9 HD3 LYS 31 - HE3 LYS 19 far 0 72 0 - 5.7-26.7 HD2 LYS 31 - HE2 LYS 19 far 0 73 0 - 6.1-25.3 HD3 LYS 86 - HE2 LYS 19 far 0 73 0 - 6.2-37.3 HD3 LYS 31 - HE2 LYS 19 far 0 72 0 - 6.4-25.6 HD3 LYS 31 - HE3 LYS 26 far 0 66 0 - 6.4-15.3 HD3 LYS 26 - HE3 LYS 31 far 0 68 0 - 6.5-13.3 HD2 LYS 31 - HE3 LYS 26 far 0 67 0 - 6.6-14.7 HD2 LYS 36 - HE2 LYS 26 far 0 67 0 - 6.6-11.2 HD2 LYS 86 - HE2 LYS 19 far 0 72 0 - 6.7-36.3 HD3 LYS 26 - HE2 LYS 31 far 0 67 0 - 6.7-13.3 HD3 LYS 19 - HE3 LYS 31 far 0 71 0 - 6.8-28.0 HD2 LYS 36 - HE2 LYS 31 far 0 67 0 - 6.8-12.2 HD2 LYS 19 - HE3 LYS 31 far 0 72 0 - 7.0-28.4 HD3 LYS 19 - HE2 LYS 31 far 0 70 0 - 7.2-28.2 HG2 ARG 84 - HE3 LYS 86 far 0 90 0 - 7.2-10.3 HD2 LYS 31 - HE2 LYS 36 far 0 70 0 - 7.3-12.7 HD2 LYS 36 - HE3 LYS 31 far 0 68 0 - 7.3-11.7 HD2 LYS 31 - HE3 LYS 36 far 0 70 0 - 7.4-12.7 QB ALA 88 - HE3 LYS 86 far 0 97 0 - 7.4-8.5 HD3 LYS 31 - HE2 LYS 36 far 0 69 0 - 7.5-13.2 HD2 LYS 26 - HE2 LYS 31 far 0 69 0 - 7.6-13.7 HD3 LYS 36 - HE2 LYS 26 far 0 68 0 - 7.7-12.7 HD2 LYS 26 - HE3 LYS 31 far 0 71 0 - 7.7-13.6 HD3 LYS 36 - HE2 LYS 31 far 0 68 0 - 8.1-13.3 HD2 LYS 19 - HE2 LYS 31 far 0 71 0 - 8.1-28.7 HD2 LYS 31 - HE2 LYS 26 far 0 71 0 - 8.1-13.6 HD2 LYS 36 - HE3 LYS 26 far 0 63 0 - 8.1-12.3 HD3 LYS 19 - HE3 LYS 86 far 0 100 0 - 8.2-37.0 HD3 LYS 31 - HE2 LYS 26 far 0 70 0 - 8.2-14.6 HG3 ARG 84 - HE3 LYS 86 far 0 95 0 - 8.2-11.5 HD2 LYS 19 - HE3 LYS 24 far 0 65 0 - 8.3-16.4 HD3 LYS 31 - HE3 LYS 36 far 0 69 0 - 8.4-12.7 HD3 LYS 36 - HE3 LYS 31 far 0 69 0 - 8.4-12.7 HD2 LYS 19 - HE3 LYS 86 far 0 100 0 - 8.6-36.9 HD3 LYS 19 - HE3 LYS 24 far 0 64 0 - 8.7-16.7 HD2 LYS 26 - HE3 LYS 36 far 0 68 0 - 8.9-13.2 HD3 LYS 36 - HE3 LYS 26 far 0 64 0 - 9.0-13.8 HD3 LYS 24 - HE3 LYS 26 far 0 67 0 - 9.1-12.4 HG2 ARG 84 - HE3 LYS 19 far 0 60 0 - 9.2-45.2 HD2 LYS 26 - HE2 LYS 36 far 0 68 0 - 9.3-12.9 HD2 LYS 24 - HE3 LYS 26 far 0 64 0 - 9.4-12.6 HD3 LYS 26 - HE3 LYS 36 far 0 66 0 - 9.4-14.9 HD2 LYS 19 - HE2 LYS 24 far 0 72 0 - 9.5-16.9 HG2 ARG 84 - HE2 LYS 19 far 0 60 0 - 9.6-45.4 HD3 LYS 24 - HE3 LYS 19 far 0 73 0 - 9.6-18.2 HD3 LYS 26 - HE2 LYS 36 far 0 66 0 - 9.8-14.4 HD3 LYS 19 - HE3 LYS 26 far 0 66 0 - 9.8-21.3 HD2 LYS 19 - HE3 LYS 26 far 0 67 0 - 9.9-21.6 HD3 LYS 19 - HE2 LYS 24 far 0 71 0 - 9.9-17.4 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 4 assignments used, quality = 1.00: * HE2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 86 - HE3 LYS 19 far 0 73 0 - 5.8-37.3 HE2 LYS 86 - HE2 LYS 19 far 0 73 0 - 7.5-37.2 HE2 LYS 86 - HE3 LYS 24 far 0 66 0 - 9.8-24.6 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 5 assignments used, quality = 1.00: * HB2 PHE 87 + HA PHE 87 OK 100 100 100 100 2.6-2.8 3.0=100 HB3 PHE 87 + HA PHE 87 OK 99 99 100 100 2.3-2.9 3.0=100 HB3 HIS 10 - HA PHE 87 far 0 87 0 - 7.4-45.4 HA VAL 93 - HA SER 74 far 0 22 0 - 7.5-8.2 HD3 ARG 135 - HA PHE 87 far 0 99 0 - 9.4-11.7 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 5 assignments used, quality = 1.00: * HB3 PHE 87 + HA PHE 87 OK 100 100 100 100 2.3-2.9 3.0=100 HB2 PHE 87 + HA PHE 87 OK 99 99 100 100 2.6-2.8 3.0=100 HB3 HIS 10 - HA PHE 87 far 0 97 0 - 7.4-45.4 HA VAL 93 - HA SER 74 far 0 30 0 - 7.5-8.2 HD3 ARG 135 - HA PHE 87 far 0 100 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 2718 from aliabs.peaks (7.32, 4.27, 61.07 ppm; 3.99 A): 1 out of 4 assignments used, quality = 1.00: * QD PHE 87 + HA PHE 87 OK 100 100 100 100 2.9-3.6 3.7=100 HE ARG 90 - HA SER 74 poor 16 30 80 67 3.8-7.0 11841/11195=24...(8) HE ARG 90 - HA PHE 87 far 8 81 10 - 2.9-7.5 HZ PHE 89 - HA SER 74 far 0 39 0 - 5.8-6.9 Violated in 0 structures by 0.00 A. Peak 2719 from aliabs.peaks (7.27, 4.27, 61.07 ppm; 5.84 A increased from 4.92 A): 1 out of 3 assignments used, quality = 1.00: * QE PHE 87 + HA PHE 87 OK 100 100 100 100 4.4-5.6 5.6=100 H ASN 85 - HA PHE 87 far 0 98 0 - 6.9-7.3 HD2 HIS 10 - HA PHE 87 far 0 96 0 - 9.9-49.1 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 3.6-4.0 7206=100, 3.8/2723=75...(11) H ARG 90 - HA SER 74 far 0 44 0 - 7.0-7.8 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 5 assignments used, quality = 0.97: * HB2 ARG 90 + HA PHE 87 OK 97 100 100 97 3.3-3.8 3.8/7206=53, 1.8/2804=52...(9) HB2 ARG 90 - HA SER 74 far 0 44 0 - 6.2-7.7 HB2 MET 11 - HA SER 74 far 0 43 0 - 7.0-35.4 HB2 MET 11 - HA PHE 87 far 0 100 0 - 7.6-43.6 HB3 ARG 84 - HA PHE 87 far 0 98 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 2724 from aliabs.peaks (1.95, 4.27, 61.07 ppm; 5.22 A increased from 4.18 A): 2 out of 7 assignments used, quality = 1.00: * HB3 ARG 90 + HA PHE 87 OK 100 100 100 100 4.6-5.5 2804=87, 7218/7206=71...(8) HB3 LYS 86 + HA PHE 87 OK 99 99 100 100 4.0-5.3 7157/2.9=90, ~7156=68...(17) HB2 GLN 27 - HA THR 25 far 2 24 10 - 5.0-9.2 HB3 ARG 90 - HA SER 74 far 0 44 0 - 6.0-6.7 HB2 GLU 30 - HA THR 25 far 0 26 0 - 6.1-13.4 HB ILE 37 - HA SER 74 far 0 33 0 - 8.9-9.6 HB3 LYS 86 - HA SER 74 far 0 43 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 2725 from aliabs.peaks (4.25, 3.23, 38.11 ppm; 3.81 A): 3 out of 4 assignments used, quality = 0.99: * HA ARG 84 + HB2 PHE 87 OK 85 100 95 89 3.4-4.5 2530/4.0=39, 2532=34...(12) HA PHE 87 + HB2 PHE 87 OK 73 73 100 100 2.6-2.8 3.0=100 HA PHE 87 + HB3 PHE 87 OK 68 68 100 100 2.3-2.9 3.0=100 HA ARG 84 - HB3 PHE 87 far 0 97 0 - 4.5-5.7 Violated in 0 structures by 0.00 A. Peak 2727 from aliabs.peaks (4.27, 3.23, 38.11 ppm; 3.93 A): 3 out of 11 assignments used, quality = 1.00: * HA PHE 87 + HB2 PHE 87 OK 100 100 100 100 2.6-2.8 3.0=100 HA PHE 87 + HB3 PHE 87 OK 97 97 100 100 2.3-2.9 3.0=100 HA ARG 84 + HB2 PHE 87 OK 60 73 100 82 3.4-4.5 2530/4.0=26, 2532=23...(10) HA ARG 84 - HB3 PHE 87 far 3 68 5 - 4.5-5.7 HA ALA 12 - HB3 PHE 87 far 0 86 0 - 5.7-42.2 HA ALA 12 - HB2 PHE 87 far 0 92 0 - 7.4-42.9 HA ALA 16 - HB2 PHE 87 far 0 99 0 - 7.9-44.4 HA ALA 16 - HB3 PHE 87 far 0 96 0 - 8.6-45.4 HA ALA 15 - HB3 PHE 87 far 0 94 0 - 9.0-46.2 HA ALA 15 - HB2 PHE 87 far 0 98 0 - 9.2-45.3 HA THR 18 - HB2 PHE 87 far 0 97 0 - 9.7-39.0 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 2.3-2.4 2.5=100 QD PHE 87 + HB3 PHE 87 OK 97 97 100 100 2.4-2.5 2.5=100 HE ARG 90 - HB3 PHE 87 far 0 75 0 - 5.1-9.9 HE ARG 90 - HB2 PHE 87 far 0 81 0 - 5.2-10.1 Violated in 0 structures by 0.00 A. Peak 2731 from aliabs.peaks (7.27, 3.23, 38.11 ppm; 4.84 A): 3 out of 4 assignments used, quality = 1.00: * QE PHE 87 + HB2 PHE 87 OK 100 100 100 100 4.4-4.4 4.4=100 QE PHE 87 + HB3 PHE 87 OK 97 97 100 100 4.4-4.4 4.4=100 H ASN 85 + HB2 PHE 87 OK 39 98 45 89 5.3-6.4 7132/9817=40...(7) H ASN 85 - HB3 PHE 87 far 0 94 0 - 6.3-7.7 Violated in 0 structures by 0.00 A. Peak 2734 from aliabs.peaks (4.25, 3.23, 38.11 ppm; 3.81 A): 3 out of 4 assignments used, quality = 0.98: HA ARG 84 + HB2 PHE 87 OK 82 97 95 89 3.4-4.5 2530/4.0=39, 2532=35...(11) HA PHE 87 + HB3 PHE 87 OK 73 73 100 100 2.3-2.9 3.0=100 HA PHE 87 + HB2 PHE 87 OK 68 68 100 100 2.6-2.8 3.0=100 ! HA ARG 84 - HB3 PHE 87 far 0 100 0 - 4.5-5.7 Violated in 0 structures by 0.00 A. Peak 2736 from aliabs.peaks (4.27, 3.23, 38.11 ppm; 3.93 A): 3 out of 11 assignments used, quality = 1.00: * HA PHE 87 + HB3 PHE 87 OK 100 100 100 100 2.3-2.9 3.0=100 HA PHE 87 + HB2 PHE 87 OK 97 97 100 100 2.6-2.8 3.0=100 HA ARG 84 + HB2 PHE 87 OK 55 68 100 81 3.4-4.5 2530/4.0=26, 2532=24...(10) HA ARG 84 - HB3 PHE 87 far 4 73 5 - 4.5-5.7 HA ALA 12 - HB3 PHE 87 far 0 92 0 - 5.7-42.2 HA ALA 12 - HB2 PHE 87 far 0 86 0 - 7.4-42.9 HA ALA 16 - HB2 PHE 87 far 0 96 0 - 7.9-44.4 HA ALA 16 - HB3 PHE 87 far 0 99 0 - 8.6-45.4 HA ALA 15 - HB3 PHE 87 far 0 98 0 - 9.0-46.2 HA ALA 15 - HB2 PHE 87 far 0 94 0 - 9.2-45.3 HA THR 18 - HB2 PHE 87 far 0 92 0 - 9.7-39.0 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 2.4-2.5 2.5=100 QD PHE 87 + HB2 PHE 87 OK 97 97 100 100 2.3-2.4 2.5=100 HE ARG 90 - HB3 PHE 87 far 0 81 0 - 5.1-9.9 HE ARG 90 - HB2 PHE 87 far 0 75 0 - 5.2-10.1 Violated in 0 structures by 0.00 A. Peak 2740 from aliabs.peaks (7.27, 3.23, 38.11 ppm; 4.84 A): 3 out of 4 assignments used, quality = 1.00: * QE PHE 87 + HB3 PHE 87 OK 100 100 100 100 4.4-4.4 4.4=100 QE PHE 87 + HB2 PHE 87 OK 97 97 100 100 4.4-4.4 4.4=100 H ASN 85 + HB2 PHE 87 OK 37 94 45 89 5.3-6.4 7132/9817=40...(7) H ASN 85 - HB3 PHE 87 far 0 98 0 - 6.3-7.7 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 - 9.8-10.9 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 6 assignments used, quality = 1.00: * QB ALA 88 + HA ALA 88 OK 100 100 100 100 2.1-2.1 2.1=100 HD2 LYS 95 - HA ALA 88 far 0 98 0 - 7.3-9.8 HD3 LYS 95 - HA ALA 88 far 0 100 0 - 7.8-9.1 HG2 ARG 84 - HA ALA 88 far 0 68 0 - 8.0-10.6 HG3 ARG 84 - HA ALA 88 far 0 76 0 - 9.3-10.8 HD3 LYS 86 - HA ALA 88 far 0 97 0 - 9.5-10.3 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 2.5-3.1 2860=100, 1.8/2868=77...(17) HB3 MET 11 - HA ALA 88 far 0 87 0 - 6.1-44.1 HG2 ARG 90 - HA ALA 88 far 0 63 0 - 6.4-7.9 HB ILE 129 - HA ALA 88 far 0 99 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 2749 from aliabs.peaks (2.03, 4.20, 54.66 ppm; 4.30 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 91 + HA ALA 88 OK 100 100 100 100 3.9-4.2 2868=100, 1.8/2860=82...(15) QE MET 11 - HA ALA 88 far 0 100 0 - 5.7-39.1 HB3 MET 11 - HA ALA 88 far 0 83 0 - 6.1-44.1 HG2 ARG 90 - HA ALA 88 far 0 97 0 - 6.4-7.9 HG3 ARG 135 - HA ALA 88 far 0 100 0 - 8.0-9.0 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 = 0.93: * HA ASN 85 + QB ALA 88 OK 93 100 100 93 2.3-3.1 7174/7185=40, 2595=33...(14) Violated in 0 structures by 0.00 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 - 7.6-8.6 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 - 6.2-7.3 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): 2 out of 3 assignments used, quality = 1.00: * HB2 PHE 89 + HA PHE 89 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 PHE 89 + HA PHE 89 OK 81 81 100 100 3.0-3.0 3.0=100 HB3 CYS 73 - HA PHE 89 far 0 99 0 - 6.1-7.0 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 3.0-3.0 3.0=100 HB2 PHE 89 + HA PHE 89 OK 81 81 100 100 2.4-2.6 3.0=100 HB3 CYS 73 - HA PHE 89 far 0 60 0 - 6.1-7.0 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 2.6-3.2 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 3.9-4.1 7247=100, 7257/2897=99...(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 2 assignments used, quality = 1.00: * QB ALA 92 + HA PHE 89 OK 100 100 100 100 3.2-3.9 2897=100, 7257/7247=64...(16) HG2 LYS 86 - HA PHE 89 far 0 90 0 - 6.7-7.4 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 2 assignments used, quality = 1.00: * HA LYS 86 + HB2 PHE 89 OK 100 100 100 100 2.5-3.6 11327/2.7=68...(13) HB2 SER 94 - HB2 PHE 89 far 0 96 0 - 9.2-10.5 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 1 assignment used, quality = 1.00: * HA PHE 89 + HB2 PHE 89 OK 100 100 100 100 2.4-2.6 3.0=100 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 2.3-2.5 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 2.2-2.6 11327/2.7=89...(13) HB2 SER 94 - HB3 PHE 89 far 0 96 0 - 7.8-9.3 HA LEU 70 - HB3 PHE 89 far 0 99 0 - 9.7-10.4 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 3.0-3.0 3.0=100 HB3 SER 74 - HB3 PHE 89 far 0 68 0 - 8.6-10.3 HA CYS 79 - HB3 PHE 89 far 0 83 0 - 9.7-10.0 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 2.3-2.6 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 2.9-2.9 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 2.9-3.0 3.0=100 HB2 MET 11 - HA ARG 90 far 0 100 0 - 5.8-39.2 HB2 LYS 95 - HA ARG 90 far 0 73 0 - 7.1-8.4 HB3 LYS 95 - HA ARG 90 far 0 65 0 - 8.7-9.5 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 4 assignments used, quality = 1.00: * HB3 ARG 90 + HA ARG 90 OK 100 100 100 100 2.4-2.7 3.0=100 HB2 LYS 95 - HA ARG 90 far 0 93 0 - 7.1-8.4 HB3 LYS 86 - HA ARG 90 far 0 99 0 - 7.8-8.8 HB3 LYS 95 - HA ARG 90 far 0 97 0 - 8.7-9.5 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 7 assignments used, quality = 1.00: * HG2 ARG 90 + HA ARG 90 OK 100 100 100 100 2.6-3.1 3.8=98, 1.8/2788=76...(23) HB2 GLU 91 - HA ARG 90 far 0 63 0 - 5.6-5.9 HB3 GLU 91 - HA ARG 90 far 0 97 0 - 6.6-6.6 HB3 MET 11 - HA ARG 90 far 0 97 0 - 7.2-38.8 HB ILE 129 - HA ARG 90 far 0 83 0 - 7.5-8.7 QE MET 11 - HA ARG 90 far 0 100 0 - 7.9-34.6 HB VAL 20 - HA ARG 90 far 0 78 0 - 9.9-34.5 Violated in 0 structures by 0.00 A. Peak 2788 from aliabs.peaks (1.74, 3.80, 59.97 ppm; 3.93 A increased from 3.70 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 90 + HA ARG 90 OK 100 100 100 100 2.5-3.8 3.8=100 HG13 ILE 129 - HA ARG 90 far 0 99 0 - 4.8-8.2 HB ILE 80 - HA ARG 90 far 0 100 0 - 8.2-8.8 HG LEU 98 - HA ARG 90 far 0 63 0 - 9.4-11.4 HB2 LYS 19 - HA ARG 90 far 0 99 0 - 9.6-39.4 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 3 assignments used, quality = 1.00: * HD2 ARG 90 + HA ARG 90 OK 100 100 100 100 2.2-4.7 3.0/2788=80, 3.0/2787=79...(31) HD3 ARG 90 + HA ARG 90 OK 100 100 100 100 1.9-4.6 3.0/2788=80, 3.0/2787=79...(31) HB2 HIS 10 - HA ARG 90 far 0 100 0 - 8.5-41.4 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 4 assignments used, quality = 1.00: * HD3 ARG 90 + HA ARG 90 OK 100 100 100 100 1.9-4.6 3.0/2788=80, 3.0/2787=79...(31) HD2 ARG 90 + HA ARG 90 OK 100 100 100 100 2.2-4.7 3.0/2788=80, 3.0/2787=79...(31) HB2 HIS 10 - HA ARG 90 far 0 99 0 - 8.5-41.4 HB3 TYR 76 - HA ARG 90 far 0 57 0 - 8.5-10.2 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 - 9.6-10.5 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 5 assignments used, quality = 1.00: * H VAL 93 + HA ARG 90 OK 100 100 100 100 2.9-3.4 7262=86, 2918/9953=73...(13) H MET 11 - HA ARG 90 far 0 81 0 - 6.2-39.2 H SER 74 - HA ARG 90 far 0 71 0 - 6.5-7.1 H ALA 12 - HA ARG 90 far 0 93 0 - 8.8-36.9 H LEU 70 - HA ARG 90 far 0 63 0 - 9.8-10.6 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 2 assignments used, quality = 1.00: * HB VAL 93 + HA ARG 90 OK 100 100 100 100 1.8-2.2 2.1/9953=73, 2.1/9962=69...(13) HB3 LYS 19 - HA ARG 90 far 0 81 0 - 9.5-38.2 Violated in 0 structures by 0.00 A. Peak 2794 from aliabs.peaks (4.27, 1.91, 29.98 ppm; 6.80 A): 2 out of 8 assignments used, quality = 1.00: * HA PHE 87 + HB2 ARG 90 OK 100 100 100 100 3.3-3.8 2723=100, 2804/1.8=100...(9) HA SER 74 + HB2 ARG 90 OK 49 87 65 86 6.2-7.7 11835/11839=43...(6) HA ALA 12 - HB2 ARG 90 far 5 92 5 - 7.2-36.9 HA ALA 15 - HB2 ARG 90 far 0 98 0 - 8.1-41.9 HA ALA 16 - HB2 ARG 90 far 0 99 0 - 8.6-41.6 HA THR 18 - HB2 ARG 90 far 0 97 0 - 9.1-36.4 HA ARG 84 - HB2 ARG 90 far 0 73 0 - 9.2-9.8 HA ALA 21 - HB2 ARG 90 far 0 71 0 - 9.4-32.5 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 3 assignments used, quality = 1.00: * HA ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 SER 9 - HB2 ARG 90 far 0 100 0 - 8.1-45.7 HB2 SER 9 - HB2 ARG 90 far 0 93 0 - 8.6-46.6 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 3 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 - 6.1-7.4 HB2 LYS 95 - HB2 ARG 90 far 0 93 0 - 8.5-10.3 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 7 assignments used, quality = 1.00: * HG2 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.4-2.6 2.9=100 HB3 GLU 91 + HB2 ARG 90 OK 48 97 70 70 5.5-6.3 2869/4.4=66, ~4038=11 HB2 GLU 91 + HB2 ARG 90 OK 28 63 100 45 4.2-5.2 2861/4.4=34, ~4038=11 HB3 MET 11 - HB2 ARG 90 far 0 97 0 - 6.3-38.8 HB VAL 20 - HB2 ARG 90 far 0 78 0 - 7.6-34.7 QE MET 11 - HB2 ARG 90 far 0 100 0 - 8.2-34.8 HB ILE 129 - HB2 ARG 90 far 0 83 0 - 10.0-11.1 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 2.3-3.0 2.9=100 HG13 ILE 129 - HB2 ARG 90 far 0 99 0 - 7.2-10.8 HB ILE 80 - HB2 ARG 90 far 0 100 0 - 7.3-8.8 HB2 LYS 19 - HB2 ARG 90 far 0 99 0 - 8.7-39.3 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 4 assignments used, quality = 1.00: * HD2 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.8-4.2 3.8=100 HD3 ARG 90 + HB2 ARG 90 OK 100 100 100 100 3.2-4.2 3.8=100 HB2 HIS 10 - HB2 ARG 90 far 0 100 0 - 6.5-43.6 HD3 ARG 23 - HB2 ARG 90 far 0 99 0 - 9.8-31.7 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 3.2-4.2 3.8=100 HD2 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.8-4.2 3.8=100 HB2 HIS 10 - HB2 ARG 90 far 0 99 0 - 6.5-43.6 HD3 ARG 23 - HB2 ARG 90 far 0 100 0 - 9.8-31.7 Violated in 0 structures by 0.00 A. Peak 2804 from aliabs.peaks (4.27, 1.95, 29.98 ppm; 6.80 A): 5 out of 14 assignments used, quality = 1.00: * HA PHE 87 + HB3 ARG 90 OK 100 100 100 100 4.6-5.5 2723/1.8=100...(8) HA SER 74 + HB3 ARG 90 OK 81 87 100 93 6.0-6.7 9592/11152=56...(7) HA LYS 31 + HB2 GLU 30 OK 70 70 100 100 4.8-5.3 ~6327=96, 3.0/6326=93...(15) HA ALA 28 + HB2 GLU 30 OK 41 41 100 100 4.9-5.7 ~10744=85, ~10800=83...(18) HA GLN 27 + HB2 GLU 30 OK 28 46 85 72 4.3-7.6 3.6/6297=47...(5) HA LYS 26 - HB2 GLU 30 poor 18 70 25 - 2.2-9.7 HA THR 25 - HB2 GLU 30 far 3 51 5 - 6.1-13.4 HA ALA 12 - HB3 ARG 90 far 0 92 0 - 7.4-35.1 HA ARG 23 - HB2 GLU 30 far 0 67 0 - 7.6-16.1 HA LEU 22 - HB2 GLU 30 far 0 69 0 - 7.6-20.8 HA ALA 15 - HB3 ARG 90 far 0 98 0 - 7.8-40.9 HA ALA 16 - HB3 ARG 90 far 0 99 0 - 7.9-40.8 HA THR 18 - HB3 ARG 90 far 0 97 0 - 8.4-35.7 HA LYS 19 - HB2 GLU 30 far 0 70 0 - 9.4-23.8 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 3 assignments used, quality = 1.00: * HA ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.4-2.7 3.0=100 HB3 SER 9 - HB3 ARG 90 far 0 100 0 - 7.0-44.0 HB2 SER 9 - HB3 ARG 90 far 0 93 0 - 7.6-44.8 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 4 assignments used, quality = 1.00: * HB2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 MET 11 - HB3 ARG 90 far 0 100 0 - 3.7-38.4 HB2 LYS 95 - HB3 ARG 90 far 0 73 0 - 8.0-9.6 HB3 LYS 95 - HB3 ARG 90 far 0 65 0 - 9.5-10.5 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): 2 out of 7 assignments used, quality = 1.00: * HG2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 GLU 30 + HB2 GLU 30 OK 63 63 100 100 1.8-1.8 1.8=100 HB2 GLU 91 - HB3 ARG 90 poor 19 63 30 - 5.0-6.1 HB3 MET 11 - HB3 ARG 90 far 5 97 5 - 5.1-37.6 HB3 GLU 91 - HB3 ARG 90 far 0 97 0 - 6.0-6.4 QE MET 11 - HB3 ARG 90 far 0 100 0 - 6.9-33.7 HB VAL 20 - HB3 ARG 90 far 0 78 0 - 8.2-33.9 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 10 assignments used, quality = 1.00: * HG3 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.4-2.6 2.9=100 HB2 LYS 31 + HB2 GLU 30 OK 25 69 45 80 4.7-5.3 6331/6326=72...(4) HB2 LYS 26 - HB2 GLU 30 far 10 67 15 - 3.0-9.2 HG13 ILE 129 - HB3 ARG 90 far 0 99 0 - 7.2-10.6 HB2 LYS 19 - HB3 ARG 90 far 0 99 0 - 8.4-38.7 HB2 LYS 24 - HB2 GLU 30 far 0 68 0 - 8.6-17.6 HB ILE 80 - HB3 ARG 90 far 0 100 0 - 8.8-9.5 HG LEU 98 - HB3 ARG 90 far 0 63 0 - 9.4-12.0 HB2 ARG 23 - HB2 GLU 30 far 0 59 0 - 9.6-18.3 HB2 LYS 19 - HB2 GLU 30 far 0 69 0 - 9.7-25.1 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 7 assignments used, quality = 1.00: * HD2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 3.4-3.8 3.8=100 HD3 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.1-3.6 3.8=100 HB2 HIS 10 - HB3 ARG 90 far 5 100 5 - 6.5-41.8 HB2 HIS 6 - HB2 GLU 30 far 3 66 5 - 6.0-50.4 HD3 ARG 23 - HB2 GLU 30 far 0 68 0 - 7.9-20.5 HD3 ARG 23 - HB3 ARG 90 far 0 99 0 - 9.3-31.0 HD2 ARG 23 - HB2 GLU 30 far 0 70 0 - 9.6-19.5 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 7 assignments used, quality = 1.00: * HD3 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.1-3.6 3.8=100 HD2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 3.4-3.8 3.8=100 HB2 HIS 10 - HB3 ARG 90 far 5 99 5 - 6.5-41.8 HB2 HIS 6 - HB2 GLU 30 far 3 69 5 - 6.0-50.4 HD3 ARG 23 - HB2 GLU 30 far 0 70 0 - 7.9-20.5 HD3 ARG 23 - HB3 ARG 90 far 0 100 0 - 9.3-31.0 HD2 ARG 23 - HB2 GLU 30 far 0 70 0 - 9.6-19.5 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 2.3-3.2 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 9 assignments used, quality = 1.00: * HA ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.6-3.1 3.8=100 HD3 PRO 58 + HG2 PRO 58 OK 70 70 100 100 3.0-3.0 2.3=100 HA LEU 43 - HB2 GLU 44 far 0 44 0 - 6.6-6.6 HA LEU 43 - HB3 GLU 40 far 0 59 0 - 7.8-8.1 HB2 SER 130 - HB2 GLU 44 far 0 46 0 - 8.3-10.1 HB3 SER 130 - HB2 GLU 44 far 0 36 0 - 9.3-10.8 HA SER 130 - HB2 GLU 44 far 0 38 0 - 9.8-10.3 HB2 SER 130 - HB3 GLU 40 far 0 61 0 - 9.9-12.4 HB3 SER 9 - HG2 ARG 90 far 0 100 0 - 10.0-45.6 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 6 assignments used, quality = 1.00: * HB2 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.4-2.6 2.9=100 HB2 GLU 40 + HB3 GLU 40 OK 74 74 100 100 1.8-1.8 1.8=100 HB3 LEU 48 - HB2 GLU 44 far 0 49 0 - 5.9-7.0 HB2 GLU 40 - HB2 GLU 44 far 0 56 0 - 6.0-7.9 HB2 MET 11 - HG2 ARG 90 far 0 100 0 - 6.1-39.9 HB2 LYS 95 - HG2 ARG 90 far 0 73 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 2817 from aliabs.peaks (1.95, 2.02, 27.95 ppm; 4.74 A): 2 out of 5 assignments used, quality = 1.00: * HB3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 PRO 58 + HG2 PRO 58 OK 93 93 100 100 2.3-2.3 2.3=100 HB3 LYS 86 - HG2 ARG 90 far 5 99 5 - 5.1-7.3 HB ILE 37 - HB3 GLU 40 far 0 67 0 - 8.9-9.2 HB2 LYS 95 - HG2 ARG 90 far 0 93 0 - 10.0-11.4 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 9 assignments used, quality = 1.00: * HG3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 48 - HB2 GLU 44 far 0 41 0 - 4.3-5.4 HB2 LYS 39 - HB3 GLU 40 far 0 53 0 - 5.3-6.7 HD3 LYS 39 - HB3 GLU 40 far 0 55 0 - 5.8-8.6 HB ILE 80 - HG2 ARG 90 far 0 100 0 - 6.2-6.5 HG13 ILE 129 - HG2 ARG 90 far 0 99 0 - 6.8-10.3 HB2 LYS 19 - HG2 ARG 90 far 0 99 0 - 7.6-37.6 HB2 LYS 39 - HB2 GLU 44 far 0 39 0 - 9.5-11.6 HD3 LYS 39 - HB2 GLU 44 far 0 41 0 - 10.0-13.2 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 5 assignments used, quality = 1.00: * HD2 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-2.3 3.0=100 HD3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 HIS 10 - HG2 ARG 90 far 0 100 0 - 8.9-43.2 HD3 ARG 23 - HG2 ARG 90 far 0 99 0 - 9.7-30.2 HB3 HIS 3 - HB2 GLU 44 far 0 65 0 - 9.7-67.6 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 7 assignments used, quality = 1.00: * HD3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.6-3.0 3.0=100 HD2 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-2.3 3.0=100 HB3 TYR 76 - HG2 ARG 90 far 0 57 0 - 8.1-9.9 HB2 HIS 10 - HG2 ARG 90 far 0 99 0 - 8.9-43.2 HB3 TYR 76 - HB3 GLU 40 far 0 42 0 - 9.6-10.9 HD3 ARG 23 - HG2 ARG 90 far 0 100 0 - 9.7-30.2 HB3 HIS 3 - HB2 GLU 44 far 0 66 0 - 9.7-67.6 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 3.4-4.3 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 3 assignments used, quality = 1.00: * HA ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.5-3.8 2788=100, 2787/1.8=75...(24) HB3 SER 9 - HG3 ARG 90 far 0 100 0 - 9.2-45.0 HB2 SER 9 - HG3 ARG 90 far 0 93 0 - 10.0-45.8 Violated in 1 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 2.3-3.0 2.9=100 HB2 MET 11 - HG3 ARG 90 far 0 100 0 - 4.6-39.3 HB2 LYS 95 - HG3 ARG 90 far 0 73 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 2826 from aliabs.peaks (1.95, 1.74, 27.95 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.4-2.6 2.9=100 HB3 LYS 86 - HG3 ARG 90 far 0 99 0 - 5.8-8.8 HB2 LYS 95 - HG3 ARG 90 far 0 93 0 - 9.5-11.7 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 HB3 MET 11 - HG3 ARG 90 far 0 97 0 - 5.3-37.8 HB2 GLU 91 - HG3 ARG 90 far 0 63 0 - 6.4-7.6 QE MET 11 - HG3 ARG 90 far 0 100 0 - 7.5-33.2 HB3 GLU 91 - HG3 ARG 90 far 0 97 0 - 7.7-8.3 HB VAL 20 - HG3 ARG 90 far 0 78 0 - 8.2-32.3 HB ILE 129 - HG3 ARG 90 far 0 83 0 - 9.4-11.8 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 5 assignments used, quality = 1.00: * HD2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 HIS 10 - HG3 ARG 90 far 0 100 0 - 8.0-42.8 HD3 ARG 23 - HG3 ARG 90 far 0 99 0 - 8.0-29.3 HD2 ARG 23 - HG3 ARG 90 far 0 100 0 - 8.8-29.4 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 6 assignments used, quality = 1.00: * HD3 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-2.9 3.0=100 HD2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 HIS 10 - HG3 ARG 90 far 0 99 0 - 8.0-42.8 HD3 ARG 23 - HG3 ARG 90 far 0 100 0 - 8.0-29.3 HD2 ARG 23 - HG3 ARG 90 far 0 100 0 - 8.8-29.4 HB3 TYR 76 - HG3 ARG 90 far 0 57 0 - 8.9-11.0 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 3.6-4.7 7219/3.0=95, 7220/3.0=91...(23) H ARG 90 + HD3 ARG 90 OK 100 100 100 100 4.0-5.4 7219/3.0=95, 7220/3.0=91...(23) 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 4 assignments used, quality = 1.00: HA ARG 90 + HD3 ARG 90 OK 100 100 100 100 1.9-4.6 2788/3.0=66, 2787/3.0=65...(30) * HA ARG 90 + HD2 ARG 90 OK 90 100 90 100 2.2-4.7 2788/3.0=66, 2787/3.0=65...(30) HB3 SER 9 - HD3 ARG 90 far 0 100 0 - 8.5-43.3 HB2 SER 9 - HD3 ARG 90 far 0 92 0 - 8.9-44.0 Violated in 3 structures by 0.00 A. Peak 2834 from aliabs.peaks (1.91, 3.17, 43.17 ppm; 4.30 A increased from 3.82 A): 2 out of 10 assignments used, quality = 1.00: * HB2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.8-4.2 3.8=100 HB2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 3.2-4.2 3.8=100 HB2 MET 11 - HD3 ARG 90 far 5 99 5 - 4.8-37.6 HB2 MET 11 - HD2 ARG 90 far 0 100 0 - 5.9-38.0 HB2 GLU 30 - HD3 ARG 23 far 0 54 0 - 7.9-20.5 HB2 LYS 95 - HD3 ARG 90 far 0 72 0 - 8.8-11.7 HB2 LYS 95 - HD2 ARG 90 far 0 73 0 - 9.4-12.1 HB3 LYS 36 - HD3 ARG 23 far 0 47 0 - 9.6-23.1 HB2 GLU 30 - HD2 ARG 23 far 0 58 0 - 9.6-19.5 HB2 ARG 90 - HD3 ARG 23 far 0 89 0 - 9.8-31.7 Violated in 0 structures by 0.00 A. Peak 2835 from aliabs.peaks (1.95, 3.17, 43.17 ppm; 3.75 A): 2 out of 15 assignments used, quality = 1.00: * HB3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 3.4-3.8 3.8=96, 11838/2.9=50...(22) HB3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.1-3.6 3.8=96, 11838/2.9=50...(22) HB2 GLN 27 - HD2 ARG 23 far 0 82 0 - 5.5-16.1 HB3 LYS 86 - HD2 ARG 90 far 0 99 0 - 6.2-7.8 HB2 GLN 27 - HD3 ARG 23 far 0 78 0 - 6.8-16.4 HB3 LYS 86 - HD3 ARG 90 far 0 99 0 - 7.1-8.9 HB2 GLU 30 - HD3 ARG 23 far 0 81 0 - 7.9-20.5 HB3 PRO 81 - HD3 ARG 23 far 0 89 0 - 8.3-32.3 HB3 LYS 86 - HD3 ARG 23 far 0 87 0 - 8.5-30.5 HB3 PRO 81 - HD2 ARG 23 far 0 92 0 - 8.7-32.6 HB2 LYS 95 - HD3 ARG 90 far 0 92 0 - 8.8-11.7 HB3 ARG 90 - HD3 ARG 23 far 0 89 0 - 9.3-31.0 HB2 LYS 95 - HD2 ARG 90 far 0 93 0 - 9.4-12.1 HB2 GLU 30 - HD2 ARG 23 far 0 85 0 - 9.6-19.5 HB ILE 37 - HD3 ARG 23 far 0 72 0 - 9.6-26.1 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 24 assignments used, quality = 1.00: * HG2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-2.3 3.0=100 HG2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.6-3.0 3.0=100 HB VAL 20 - HD3 ARG 23 far 6 63 10 - 3.4-8.3 HB VAL 20 - HD2 ARG 23 far 3 67 5 - 3.5-8.3 HB VAL 20 - HD2 ARG 90 far 0 78 0 - 5.4-31.7 HB3 MET 11 - HD3 ARG 90 far 0 97 0 - 5.9-37.0 HB VAL 20 - HD3 ARG 90 far 0 77 0 - 6.1-32.6 HB3 MET 11 - HD2 ARG 90 far 0 97 0 - 6.6-36.9 QE MET 11 - HD3 ARG 90 far 0 99 0 - 6.8-33.1 HB2 GLU 91 - HD3 ARG 90 far 0 62 0 - 7.1-9.0 HB2 PRO 81 - HD3 ARG 23 far 0 39 0 - 7.1-30.9 HB2 PRO 81 - HD2 ARG 23 far 0 42 0 - 7.3-31.1 HB2 GLU 91 - HD2 ARG 90 far 0 63 0 - 7.4-8.2 QE MET 11 - HD2 ARG 90 far 0 100 0 - 7.5-33.2 HB3 GLU 91 - HD3 ARG 90 far 0 97 0 - 8.0-9.7 HB ILE 129 - HD2 ARG 90 far 0 83 0 - 8.2-11.4 HB3 GLU 91 - HD2 ARG 90 far 0 97 0 - 8.6-9.4 HB ILE 129 - HD3 ARG 90 far 0 82 0 - 8.6-11.9 HB3 GLU 30 - HD3 ARG 23 far 0 81 0 - 8.9-21.5 HB3 GLU 30 - HD2 ARG 23 far 0 85 0 - 9.1-20.5 HG3 PRO 81 - HD2 ARG 23 far 0 55 0 - 9.2-32.4 HG3 PRO 81 - HD3 ARG 23 far 0 52 0 - 9.2-32.1 HG2 ARG 90 - HD3 ARG 23 far 0 89 0 - 9.7-30.2 HG2 PRO 81 - HD3 ARG 23 far 0 75 0 - 9.9-32.9 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 26 assignments used, quality = 1.00: * HG3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 ARG 23 + HD2 ARG 23 OK 81 81 100 100 2.0-3.4 3.7=98, ~11881=27...(15) HB2 ARG 23 + HD3 ARG 23 OK 77 77 100 100 2.1-3.9 3.7=98, ~11881=27...(15) HB2 LYS 24 - HD3 ARG 23 far 0 86 0 - 5.1-9.4 HB2 LYS 19 - HD3 ARG 90 far 0 99 0 - 5.2-37.5 HB2 LYS 31 - HD2 ARG 23 far 0 91 0 - 5.2-19.4 HB2 LYS 19 - HD2 ARG 23 far 0 91 0 - 6.0-12.4 HB2 LYS 31 - HD3 ARG 23 far 0 87 0 - 6.1-19.7 HG13 ILE 129 - HD3 ARG 90 far 0 98 0 - 6.2-12.2 HG13 ILE 129 - HD2 ARG 90 far 0 99 0 - 6.2-12.1 HB2 LYS 19 - HD2 ARG 90 far 0 99 0 - 6.2-36.5 HB ILE 80 - HD2 ARG 90 far 0 100 0 - 6.4-7.0 HB2 LYS 24 - HD2 ARG 23 far 0 90 0 - 6.5-9.5 HB2 LYS 19 - HD3 ARG 23 far 0 87 0 - 6.6-13.0 HB2 LYS 26 - HD2 ARG 23 far 0 89 0 - 6.7-13.6 HB2 LYS 26 - HD3 ARG 23 far 0 85 0 - 6.9-14.4 HB ILE 80 - HD3 ARG 90 far 0 100 0 - 7.2-8.4 HG3 ARG 90 - HD3 ARG 23 far 0 89 0 - 8.0-29.3 HB2 ARG 23 - HD2 ARG 90 far 0 92 0 - 8.3-27.7 HB2 ARG 23 - HD3 ARG 90 far 0 91 0 - 8.4-28.6 HB ILE 80 - HD3 ARG 23 far 0 89 0 - 8.4-29.2 HG3 ARG 90 - HD2 ARG 23 far 0 93 0 - 8.8-29.4 HB ILE 80 - HD2 ARG 23 far 0 92 0 - 9.6-29.4 HB3 LEU 70 - HD3 ARG 90 far 0 75 0 - 9.7-12.4 HG LEU 98 - HD3 ARG 90 far 0 62 0 - 9.7-14.0 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 4.0-5.4 7219/3.0=95, 7220/3.0=91...(23) H ARG 90 + HD2 ARG 90 OK 100 100 100 100 3.6-4.7 7219/3.0=95, 7220/3.0=91...(23) 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 4 assignments used, quality = 1.00: * HA ARG 90 + HD3 ARG 90 OK 100 100 100 100 1.9-4.6 2788/3.0=66, 2787/3.0=65...(30) HA ARG 90 + HD2 ARG 90 OK 90 100 90 100 2.2-4.7 2788/3.0=66, 2787/3.0=65...(30) HB3 SER 9 - HD3 ARG 90 far 0 100 0 - 8.5-43.3 HB2 SER 9 - HD3 ARG 90 far 0 93 0 - 8.9-44.0 Violated in 3 structures by 0.00 A. Peak 2843 from aliabs.peaks (1.91, 3.16, 43.17 ppm; 4.28 A increased from 3.80 A): 2 out of 10 assignments used, quality = 1.00: * HB2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 3.2-4.2 3.8=100 HB2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.8-4.2 3.8=100 HB2 MET 11 - HD3 ARG 90 far 5 100 5 - 4.8-37.6 HB2 MET 11 - HD2 ARG 90 far 0 99 0 - 5.9-38.0 HB2 GLU 30 - HD3 ARG 23 far 0 58 0 - 7.9-20.5 HB2 LYS 95 - HD3 ARG 90 far 0 73 0 - 8.8-11.7 HB2 LYS 95 - HD2 ARG 90 far 0 72 0 - 9.4-12.1 HB3 LYS 36 - HD3 ARG 23 far 0 50 0 - 9.6-23.1 HB2 GLU 30 - HD2 ARG 23 far 0 59 0 - 9.6-19.5 HB2 ARG 90 - HD3 ARG 23 far 0 93 0 - 9.8-31.7 Violated in 0 structures by 0.00 A. Peak 2844 from aliabs.peaks (1.95, 3.16, 43.17 ppm; 3.74 A): 2 out of 15 assignments used, quality = 1.00: * HB3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.1-3.6 3.8=96, 11838/2.9=50...(22) HB3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 3.4-3.8 3.8=96, 11838/2.9=50...(22) HB2 GLN 27 - HD2 ARG 23 far 0 84 0 - 5.5-16.1 HB3 LYS 86 - HD2 ARG 90 far 0 99 0 - 6.2-7.8 HB2 GLN 27 - HD3 ARG 23 far 0 82 0 - 6.8-16.4 HB3 LYS 86 - HD3 ARG 90 far 0 99 0 - 7.1-8.9 HB2 GLU 30 - HD3 ARG 23 far 0 85 0 - 7.9-20.5 HB3 PRO 81 - HD3 ARG 23 far 0 92 0 - 8.3-32.3 HB3 LYS 86 - HD3 ARG 23 far 0 91 0 - 8.5-30.5 HB3 PRO 81 - HD2 ARG 23 far 0 94 0 - 8.7-32.6 HB2 LYS 95 - HD3 ARG 90 far 0 93 0 - 8.8-11.7 HB3 ARG 90 - HD3 ARG 23 far 0 93 0 - 9.3-31.0 HB2 LYS 95 - HD2 ARG 90 far 0 92 0 - 9.4-12.1 HB2 GLU 30 - HD2 ARG 23 far 0 87 0 - 9.6-19.5 HB ILE 37 - HD3 ARG 23 far 0 76 0 - 9.6-26.1 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 24 assignments used, quality = 1.00: * HG2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-2.3 3.0=100 HB VAL 20 - HD3 ARG 23 far 7 67 10 - 3.4-8.3 HB VAL 20 - HD2 ARG 23 far 3 69 5 - 3.5-8.3 HB VAL 20 - HD2 ARG 90 far 0 77 0 - 5.4-31.7 HB3 MET 11 - HD3 ARG 90 far 0 97 0 - 5.9-37.0 HB VAL 20 - HD3 ARG 90 far 0 78 0 - 6.1-32.6 HB3 MET 11 - HD2 ARG 90 far 0 97 0 - 6.6-36.9 QE MET 11 - HD3 ARG 90 far 0 100 0 - 6.8-33.1 HB2 GLU 91 - HD3 ARG 90 far 0 63 0 - 7.1-9.0 HB2 PRO 81 - HD3 ARG 23 far 0 42 0 - 7.1-30.9 HB2 PRO 81 - HD2 ARG 23 far 0 43 0 - 7.3-31.1 HB2 GLU 91 - HD2 ARG 90 far 0 62 0 - 7.4-8.2 QE MET 11 - HD2 ARG 90 far 0 99 0 - 7.5-33.2 HB3 GLU 91 - HD3 ARG 90 far 0 97 0 - 8.0-9.7 HB ILE 129 - HD2 ARG 90 far 0 82 0 - 8.2-11.4 HB3 GLU 91 - HD2 ARG 90 far 0 97 0 - 8.6-9.4 HB ILE 129 - HD3 ARG 90 far 0 83 0 - 8.6-11.9 HB3 GLU 30 - HD3 ARG 23 far 0 85 0 - 8.9-21.5 HB3 GLU 30 - HD2 ARG 23 far 0 87 0 - 9.1-20.5 HG3 PRO 81 - HD2 ARG 23 far 0 57 0 - 9.2-32.4 HG3 PRO 81 - HD3 ARG 23 far 0 55 0 - 9.2-32.1 HG2 ARG 90 - HD3 ARG 23 far 0 93 0 - 9.7-30.2 HG2 PRO 81 - HD3 ARG 23 far 0 79 0 - 9.9-32.9 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 26 assignments used, quality = 1.00: * HG3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ARG 23 + HD2 ARG 23 OK 82 83 100 100 2.0-3.4 3.7=98, ~11881=27...(15) HB2 ARG 23 + HD3 ARG 23 OK 81 81 100 100 2.1-3.9 3.7=98, ~11881=27...(15) HB2 LYS 24 - HD3 ARG 23 far 0 90 0 - 5.1-9.4 HB2 LYS 19 - HD3 ARG 90 far 0 99 0 - 5.2-37.5 HB2 LYS 31 - HD2 ARG 23 far 0 92 0 - 5.2-19.4 HB2 LYS 19 - HD2 ARG 23 far 0 92 0 - 6.0-12.4 HB2 LYS 31 - HD3 ARG 23 far 0 91 0 - 6.1-19.7 HG13 ILE 129 - HD3 ARG 90 far 0 99 0 - 6.2-12.2 HG13 ILE 129 - HD2 ARG 90 far 0 98 0 - 6.2-12.1 HB2 LYS 19 - HD2 ARG 90 far 0 99 0 - 6.2-36.5 HB ILE 80 - HD2 ARG 90 far 0 100 0 - 6.4-7.0 HB2 LYS 24 - HD2 ARG 23 far 0 92 0 - 6.5-9.5 HB2 LYS 19 - HD3 ARG 23 far 0 91 0 - 6.6-13.0 HB2 LYS 26 - HD2 ARG 23 far 0 91 0 - 6.7-13.6 HB2 LYS 26 - HD3 ARG 23 far 0 89 0 - 6.9-14.4 HB ILE 80 - HD3 ARG 90 far 0 100 0 - 7.2-8.4 HG3 ARG 90 - HD3 ARG 23 far 0 93 0 - 8.0-29.3 HB2 ARG 23 - HD2 ARG 90 far 0 91 0 - 8.3-27.7 HB2 ARG 23 - HD3 ARG 90 far 0 92 0 - 8.4-28.6 HB ILE 80 - HD3 ARG 23 far 0 92 0 - 8.4-29.2 HG3 ARG 90 - HD2 ARG 23 far 0 94 0 - 8.8-29.4 HB ILE 80 - HD2 ARG 23 far 0 94 0 - 9.6-29.4 HB3 LEU 70 - HD3 ARG 90 far 0 76 0 - 9.7-12.4 HG LEU 98 - HD3 ARG 90 far 0 63 0 - 9.7-14.0 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 - 8.2-8.7 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): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 91 + HA GLU 91 OK 100 100 100 100 2.5-3.0 3.0=100 HB ILE 129 - HA GLN 127 far 0 84 0 - 5.4-5.8 HB3 MET 11 - HA GLU 91 far 0 87 0 - 5.9-40.7 HG2 ARG 90 - HA GLU 91 far 0 63 0 - 6.4-6.6 HB3 LEU 53 - HA GLN 127 far 0 87 0 - 7.6-9.6 HB2 GLN 134 - HA GLN 127 far 0 53 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 2853 from aliabs.peaks (2.03, 3.97, 58.93 ppm; 4.07 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLU 91 + HA GLU 91 OK 100 100 100 100 2.3-2.4 3.0=100 HB2 GLN 127 + HA GLN 127 OK 74 74 100 100 2.3-2.8 3.0=100 HB3 MET 11 - HA GLU 91 far 0 83 0 - 5.9-40.7 HG2 ARG 90 - HA GLU 91 far 0 97 0 - 6.4-6.6 QE MET 11 - HA GLU 91 far 0 100 0 - 6.8-36.1 QE MET 11 - HA GLN 127 far 0 86 0 - 8.9-42.8 HB2 GLN 134 - HA GLN 127 far 0 80 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 2854 from aliabs.peaks (2.21, 3.97, 58.93 ppm; 4.67 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLU 91 + HA GLU 91 OK 100 100 100 100 2.7-4.2 3.9=100 HB3 GLN 127 + HA GLN 127 OK 80 80 100 100 2.5-2.9 3.0=100 HB3 GLU 128 - HA GLN 127 far 0 64 0 - 6.1-6.5 HB VAL 133 - HA GLN 127 far 0 64 0 - 8.4-9.1 HB3 GLU 128 - HA GLU 91 far 0 81 0 - 9.8-10.6 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 5 assignments used, quality = 1.00: * HG3 GLU 91 + HA GLU 91 OK 100 100 100 100 3.5-3.8 3.9=100 HB VAL 126 + HA GLN 127 OK 72 72 100 100 4.3-4.6 2.1/10394=81...(11) HB2 GLU 128 - HA GLN 127 far 0 81 0 - 5.5-5.6 HG3 GLN 134 - HA GLN 127 far 0 75 0 - 7.8-10.0 HB2 GLU 128 - HA GLU 91 far 0 97 0 - 9.1-10.6 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 1 assignment used, quality = 1.00: * H ALA 92 + HA GLU 91 OK 100 100 100 100 3.5-3.5 3.6=100 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 99 100 100 99 4.1-4.5 7259/3.6=80, 7275/4.8=62...(7) H ILE 129 + HA GLN 127 OK 82 82 100 100 4.3-4.8 7855/3.6=84, 7820/2.9=81...(9) H SER 51 - HA GLN 127 far 0 85 0 - 6.5-7.8 H ILE 129 - HA GLU 91 far 0 97 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 2858 from aliabs.peaks (3.90, 3.97, 58.93 ppm; 4.74 A): 2 out of 8 assignments used, quality = 0.84: * HB2 SER 94 + HA GLU 91 OK 62 100 100 62 3.5-4.5 2938=41, 3.6/2857=36 HB3 SER 50 + HA GLN 127 OK 59 66 100 88 3.4-5.2 1.8/4037=54, ~10503=21...(10) HA ALA 46 - HA GLN 127 poor 8 85 25 37 5.1-5.9 9173/10394=36 HA3 GLY 14 - HA GLU 91 far 0 83 0 - 7.0-41.9 HA2 GLY 14 - HA GLU 91 far 0 85 0 - 7.0-40.9 HA3 GLY 2 - HA GLN 127 far 0 87 0 - 8.4-71.8 HA LYS 86 - HA GLU 91 far 0 96 0 - 8.7-9.3 HA2 GLY 2 - HA GLN 127 far 0 87 0 - 9.5-71.7 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 3 assignments used, quality = 1.00: * HA ALA 88 + HB2 GLU 91 OK 100 100 100 100 2.5-3.1 2748=99, 2868/1.8=76...(17) HA LEU 53 - HB3 PRO 56 far 0 41 0 - 8.4-9.3 HA GLU 128 - HB2 GLU 91 far 0 95 0 - 9.3-11.6 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 2.1-2.7 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 3 assignments used, quality = 1.00: * HA GLU 91 + HB2 GLU 91 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 SER 94 - HB2 GLU 91 far 0 100 0 - 6.1-8.1 HA3 GLY 111 - HB3 PRO 56 far 0 37 0 - 6.7-8.3 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 2.3-2.3 2.3=100 HG2 PRO 56 + HB3 PRO 56 OK 43 43 100 100 3.0-3.0 2.3=100 HB3 MET 11 - HB2 GLU 91 far 0 83 0 - 5.2-42.3 HB3 GLU 55 - HB3 PRO 56 far 0 67 0 - 6.2-6.7 HG2 ARG 90 - HB2 GLU 91 far 0 97 0 - 6.2-7.1 HG3 PRO 113 - HB3 PRO 56 far 0 43 0 - 6.4-8.6 QE MET 11 - HB2 GLU 91 far 0 100 0 - 6.7-37.5 HG2 PRO 58 - HB3 PRO 56 far 0 69 0 - 9.8-10.1 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 2.3-2.8 3.0=100 HB3 GLU 128 - HB2 GLU 91 far 0 81 0 - 7.8-10.1 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 6 assignments used, quality = 1.00: * HG3 GLU 91 + HB2 GLU 91 OK 100 100 100 100 2.2-3.0 3.0=100 HB VAL 57 - HB3 PRO 56 far 0 71 0 - 7.5-7.6 HB2 GLU 128 - HB2 GLU 91 far 0 97 0 - 7.6-10.6 HB VAL 112 - HB3 PRO 56 far 0 45 0 - 8.3-9.5 HG3 PRO 58 - HB3 PRO 56 far 0 37 0 - 9.4-9.9 HB3 GLN 61 - HB3 PRO 56 far 0 67 0 - 9.6-10.3 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 2.8-3.8 7252=100, 2875/1.8=78...(22) Violated in 0 structures by 0.00 A. Peak 2868 from aliabs.peaks (4.20, 2.03, 28.84 ppm; 4.11 A increased from 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 88 + HB3 GLU 91 OK 100 100 100 100 3.9-4.2 2749=87, 2860/1.8=76...(15) Violated in 3 structures by 0.00 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 3.5-3.6 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): 1 out of 2 assignments used, quality = 1.00: * HA GLU 91 + HB3 GLU 91 OK 100 100 100 100 2.3-2.4 3.0=100 HB3 SER 94 - HB3 GLU 91 far 0 100 0 - 5.5-7.6 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 HB3 MET 11 - HB3 GLU 91 far 0 87 0 - 3.8-42.6 HG2 ARG 90 - HB3 GLU 91 far 0 63 0 - 7.6-8.3 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 2.5-3.0 3.0=100 HB3 GLU 128 - HB3 GLU 91 far 0 81 0 - 8.8-10.0 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 2.4-3.0 3.0=100 HB2 GLU 128 - HB3 GLU 91 far 0 97 0 - 8.6-10.5 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 3.8-4.2 7253=100, 7252/1.8=87...(20) 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 2 assignments used, quality = 1.00: * H GLU 91 + HG2 GLU 91 OK 100 100 100 100 1.9-3.9 4.7=100 H VAL 133 - HG2 GLU 91 far 0 85 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 2877 from aliabs.peaks (3.97, 2.21, 35.29 ppm; 4.42 A increased from 3.54 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.7-4.2 3.9=100 HB3 SER 94 - HG2 GLU 91 far 0 100 0 - 6.2-9.5 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 4 assignments used, quality = 1.00: * HB2 GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 MET 11 - HG2 GLU 91 far 0 87 0 - 4.4-44.5 HG2 ARG 90 - HG2 GLU 91 far 0 63 0 - 5.4-8.4 HB ILE 129 - HG2 GLU 91 far 0 99 0 - 8.7-11.9 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 5 assignments used, quality = 1.00: * HB3 GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 MET 11 - HG2 GLU 91 far 0 83 0 - 4.4-44.5 HG2 ARG 90 - HG2 GLU 91 far 0 97 0 - 5.4-8.4 QE MET 11 - HG2 GLU 91 far 0 100 0 - 5.4-39.4 HG3 ARG 135 - HG2 GLU 91 far 0 100 0 - 9.3-12.0 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 2 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 - 7.0-10.4 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 2.2-4.3 7254=100, 7255/1.8=88...(19) 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 2.5-4.0 4.7=100 H VAL 133 - HG3 GLU 91 far 0 85 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 2884 from aliabs.peaks (3.97, 2.09, 35.29 ppm; 3.79 A increased from 3.57 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 91 + HG3 GLU 91 OK 100 100 100 100 3.5-3.8 3.9=95, 2.9/7242=58...(14) HB3 SER 94 - HG3 GLU 91 far 0 100 0 - 6.1-8.9 HB2 SER 124 - HG3 GLU 91 far 0 90 0 - 9.6-12.6 Violated in 2 structures by 0.00 A. Peak 2885 from aliabs.peaks (1.99, 2.09, 35.29 ppm; 4.74 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 MET 11 - HG3 GLU 91 far 0 87 0 - 5.4-43.8 HG2 ARG 90 - HG3 GLU 91 far 0 63 0 - 6.4-8.2 HB ILE 129 - HG3 GLU 91 far 0 99 0 - 8.1-11.9 Violated in 0 structures by 0.00 A. Peak 2886 from aliabs.peaks (2.03, 2.09, 35.29 ppm; 4.74 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 MET 11 - HG3 GLU 91 far 0 83 0 - 5.4-43.8 QE MET 11 - HG3 GLU 91 far 0 100 0 - 5.5-38.8 HG2 ARG 90 - HG3 GLU 91 far 0 97 0 - 6.4-8.2 HG3 ARG 135 - HG3 GLU 91 far 0 100 0 - 9.4-11.8 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 - 6.7-9.7 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 1.9-4.6 7255=100, 7254/1.8=92...(23) Violated in 0 structures by 0.00 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 2.9-2.9 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 3 assignments used, quality = 1.00: * H VAL 93 + HA ALA 92 OK 100 100 100 100 3.5-3.6 3.6=100 H ALA 12 - HA ALA 92 far 0 93 0 - 7.4-42.0 H MET 11 - HA ALA 92 far 0 81 0 - 7.6-42.5 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 3.5-3.8 7273/3.6=87...(20) 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 5 assignments used, quality = 1.00: HB3 LYS 95 + HA ALA 92 OK 99 100 100 99 4.3-4.8 ~9948=52, ~9948=51...(15) * HB2 LYS 95 + HA ALA 92 OK 98 100 100 98 2.8-3.6 9948/2.1=53, 4.0/2894=48...(14) HB2 MET 11 - HA ALA 92 far 0 85 0 - 5.4-44.0 HB3 ARG 90 - HA ALA 92 far 0 93 0 - 7.3-7.5 HB2 ARG 90 - HA ALA 92 far 0 73 0 - 7.4-7.9 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 5 assignments used, quality = 1.00: * HB3 LYS 95 + HA ALA 92 OK 99 100 100 99 4.3-4.8 ~9948=52, ~9948=51...(15) HB2 LYS 95 + HA ALA 92 OK 98 100 100 98 2.8-3.6 9948/2.1=59, 4.0/2894=48...(14) HB2 MET 11 - HA ALA 92 far 0 78 0 - 5.4-44.0 HB3 ARG 90 - HA ALA 92 far 0 97 0 - 7.3-7.5 HB2 ARG 90 - HA ALA 92 far 0 65 0 - 7.4-7.9 Violated in 0 structures by 0.00 A. Peak 2897 from aliabs.peaks (4.08, 1.43, 18.11 ppm; 3.88 A increased from 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 89 + QB ALA 92 OK 100 100 100 100 3.2-3.9 2764=76, 7247/7257=54...(16) HB3 SER 74 - QB ALA 92 far 0 68 0 - 9.9-11.2 Violated in 1 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 2.1-2.3 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 5 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 - 5.9-6.5 HA LEU 122 - QB ALA 92 far 0 92 0 - 6.4-7.5 HB2 SER 74 - QB ALA 92 far 0 100 0 - 9.4-10.9 HB3 SER 74 - QB ALA 92 far 0 100 0 - 9.9-11.2 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 5 assignments used, quality = 1.00: * H VAL 93 + QB ALA 92 OK 100 100 100 100 2.4-2.9 3.7=100 H MET 11 - QB ALA 92 far 0 81 0 - 6.2-36.1 H ALA 12 - QB ALA 92 far 0 93 0 - 7.1-35.6 H SER 74 - QB ALA 92 far 0 71 0 - 8.8-9.3 H LEU 70 - QB ALA 92 far 0 63 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 2902 from aliabs.peaks (8.44, 3.25, 66.70 ppm; 4.47 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 93 + HA VAL 93 OK 100 100 100 100 2.7-2.8 2.9=100 H SER 74 - HA VAL 93 far 0 71 0 - 6.9-7.5 H LEU 70 - HA VAL 93 far 0 63 0 - 7.2-7.7 H MET 11 - HA VAL 93 far 0 81 0 - 10.0-39.7 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 3.0-3.0 3.0=100 HB2 LEU 100 - HA VAL 93 far 0 99 0 - 8.3-8.8 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 2.1-2.3 3.2=100 QD1 ILE 80 - HA VAL 93 far 0 76 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 2906 from aliabs.peaks (0.75, 3.25, 66.70 ppm; 3.38 A): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 93 + HA VAL 93 OK 100 100 100 100 2.5-2.6 3.2=100 QD2 LEU 96 + HA VAL 93 OK 99 100 100 99 1.8-2.6 11806=48, 2922/2919=30...(33) HG12 ILE 129 - HA VAL 93 far 5 100 5 - 3.8-5.0 QD1 LEU 96 - HA VAL 93 far 0 76 0 - 4.1-4.9 QD2 LEU 43 - HA VAL 93 far 0 99 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 2907 from aliabs.peaks (7.99, 3.25, 66.70 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: * H SER 94 + HA VAL 93 OK 100 100 100 100 3.6-3.6 3.6=100 H ILE 129 - HA VAL 93 far 0 97 0 - 5.6-6.0 Violated in 0 structures by 0.00 A. Peak 2908 from aliabs.peaks (8.28, 3.25, 66.70 ppm; 4.89 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 96 + HA VAL 93 OK 100 100 100 100 3.0-3.1 7311=100, 11432/3.2=65...(27) H VAL 126 - HA VAL 93 far 0 100 0 - 5.8-6.3 H SER 99 - HA VAL 93 far 0 90 0 - 7.6-8.1 H LEU 69 - HA VAL 93 far 0 76 0 - 8.6-9.3 H ASP 131 - HA VAL 93 far 0 100 0 - 9.5-10.0 H LEU 123 - HA VAL 93 far 0 99 0 - 9.5-10.2 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 8 assignments used, quality = 1.00: * HB2 LEU 96 + HA VAL 93 OK 100 100 100 100 3.7-4.2 3.2/11806=57...(33) HG LEU 96 + HA VAL 93 OK 88 89 100 100 3.6-4.3 2.1/11806=69...(27) HG3 LYS 95 - HA VAL 93 far 0 100 0 - 4.9-7.7 HG2 LYS 95 - HA VAL 93 far 0 99 0 - 5.1-7.9 QB ALA 15 - HA VAL 93 far 0 100 0 - 7.2-35.7 QB ALA 12 - HA VAL 93 far 0 81 0 - 8.7-30.6 QB ALA 16 - HA VAL 93 far 0 97 0 - 9.6-38.6 HB3 LEU 100 - HA VAL 93 far 0 99 0 - 9.8-10.3 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 5 assignments used, quality = 1.00: * HB3 LEU 96 + HA VAL 93 OK 100 100 100 100 2.1-2.5 10492/10461=66...(33) HG2 GLU 97 + HA VAL 93 OK 100 100 100 100 4.1-4.6 11457/4.9=50, ~11849=49...(20) HB3 GLU 97 - HA VAL 93 far 0 76 0 - 6.4-7.3 HB3 GLU 128 - HA VAL 93 far 0 97 0 - 7.9-8.9 HB3 GLN 127 - HA VAL 93 far 0 83 0 - 9.6-10.4 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 1.8-2.2 2793=100, 9953/2.1=88...(13) HB2 SER 9 - HB VAL 93 far 0 93 0 - 8.1-43.3 HB3 SER 9 - HB VAL 93 far 0 100 0 - 8.3-42.4 HA SER 130 - HB3 ARG 135 far 0 30 0 - 8.6-9.9 HB2 SER 130 - HB3 ARG 135 far 0 36 0 - 9.7-11.8 HA SER 130 - HB VAL 93 far 0 68 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 2912 from aliabs.peaks (8.44, 1.83, 31.24 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 93 + HB VAL 93 OK 100 100 100 100 2.3-2.5 4.0=100 H SER 74 - HB VAL 93 far 0 71 0 - 5.8-6.3 H MET 11 - HB VAL 93 far 0 81 0 - 7.6-38.0 H LEU 70 - HB VAL 93 far 0 63 0 - 8.3-8.8 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 3.0-3.0 3.0=100 HD3 ARG 135 + HB3 ARG 135 OK 36 36 100 100 2.2-4.2 3.7=100 HB2 HIS 5 - HB3 ARG 135 far 0 34 0 - 8.0-67.3 HB3 PHE 87 - HB VAL 93 far 0 81 0 - 9.6-10.1 HB2 PHE 87 - HB3 ARG 135 far 0 27 0 - 9.7-12.5 HB3 HIS 4 - HB3 ARG 135 far 0 34 0 - 9.7-72.1 HB3 HIS 10 - HB VAL 93 far 0 97 0 - 9.9-38.3 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 0 34 0 - 6.0-7.3 QD1 ILE 80 - HB VAL 93 far 0 76 0 - 6.2-6.6 Violated in 0 structures by 0.00 A. Peak 2916 from aliabs.peaks (0.75, 1.83, 31.24 ppm; 3.62 A): 1 out of 6 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 far 15 100 15 - 3.8-4.8 HG12 ILE 129 - HB VAL 93 far 0 100 0 - 5.2-6.9 QD1 LEU 96 - HB VAL 93 far 0 76 0 - 6.3-7.1 QD2 LEU 43 - HB3 ARG 135 far 0 52 0 - 7.1-8.7 QD2 LEU 43 - HB VAL 93 far 0 99 0 - 9.7-10.7 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 2.4-2.6 4.7=100 H ILE 129 - HB VAL 93 far 0 97 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 2918 from aliabs.peaks (8.44, 0.29, 23.10 ppm; 3.18 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.2-2.6 7270=88, 7269/2.1=54...(16) H SER 74 - QG2 VAL 93 far 0 71 0 - 4.2-4.6 H LEU 70 - QG2 VAL 93 far 0 63 0 - 5.8-6.0 H MET 11 - QG2 VAL 93 far 0 81 0 - 8.3-32.7 H ASP 47 - QG2 VAL 93 far 0 81 0 - 9.3-9.7 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 5 assignments used, quality = 1.00: * HA VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.1-2.3 3.2=98, 2.9/2918=51...(23) HB3 HIS 10 - QG2 VAL 93 far 0 97 0 - 8.5-33.3 HB3 PHE 87 - QG2 VAL 93 far 0 81 0 - 8.9-9.4 HB2 PHE 87 - QG2 VAL 93 far 0 63 0 - 9.3-9.7 HD3 ARG 135 - QG2 VAL 93 far 0 81 0 - 9.4-11.5 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 5 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 - 8.4-8.9 HB3 LYS 19 - QG2 VAL 93 far 0 81 0 - 9.5-32.5 HB3 LYS 24 - QG2 VAL 93 far 0 93 0 - 9.8-23.2 HB2 CYS 79 - QG2 VAL 93 far 0 100 0 - 9.9-10.4 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): 2 out of 6 assignments used, quality = 1.00: * QG1 VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 96 + QG2 VAL 93 OK 96 100 100 96 2.3-2.8 11806/3.2=20, ~9974=17...(43) HG12 ILE 129 - QG2 VAL 93 far 0 100 0 - 3.2-4.1 QD1 LEU 96 - QG2 VAL 93 far 0 76 0 - 4.1-5.1 QD2 LEU 43 - QG2 VAL 93 far 0 99 0 - 6.5-7.4 QD1 ILE 37 - QG2 VAL 93 far 0 87 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 2923 from aliabs.peaks (7.99, 0.29, 23.10 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * H SER 94 + QG2 VAL 93 OK 100 100 100 100 3.9-4.0 7282=94, 7283/2.1=82...(26) H ILE 129 - QG2 VAL 93 poor 19 97 20 - 4.5-5.0 Violated in 0 structures by 0.00 A. Peak 2924 from aliabs.peaks (8.44, 0.75, 21.32 ppm; 3.75 A increased from 3.53 A): 2 out of 5 assignments used, quality = 1.00: * H VAL 93 + QG1 VAL 93 OK 100 100 100 100 3.7-3.8 3.9=87, 2918/2.1=82...(11) H SER 74 + QG1 VAL 93 OK 69 71 100 97 3.3-3.8 2.9/9590=46...(16) H LEU 70 - QG1 VAL 93 far 0 63 0 - 4.9-5.5 H MET 11 - QG1 VAL 93 far 0 81 0 - 7.1-30.5 H ALA 12 - QG1 VAL 93 far 0 93 0 - 9.1-30.0 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 2.5-2.6 3.2=100 HB3 HIS 10 - QG1 VAL 93 far 0 97 0 - 9.5-31.2 HB3 PHE 87 - QG1 VAL 93 far 0 81 0 - 9.8-10.3 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 4 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 - 6.9-7.4 HB3 LYS 24 - QG1 VAL 93 far 0 93 0 - 7.8-22.9 HB3 LYS 19 - QG1 VAL 93 far 0 81 0 - 8.7-31.7 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 2.1-2.1 2.1=100 QD1 ILE 80 - QG1 VAL 93 far 0 76 0 - 6.0-6.3 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 2.6-2.9 7283=100, 7281/2.1=83...(18) H ILE 129 - QG1 VAL 93 far 0 97 0 - 6.8-7.2 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 2.7-2.8 2.9=100 H ILE 129 - HA SER 124 far 0 89 0 - 6.6-7.2 H SER 51 - HA SER 124 far 0 91 0 - 9.3-10.7 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 5 assignments used, quality = 1.00: * HB2 SER 94 + HA SER 94 OK 100 100 100 100 2.4-2.9 3.0=100 HB3 SER 50 - HA SER 124 far 0 73 0 - 5.7-8.5 HA LEU 70 - HA SER 94 far 0 87 0 - 6.6-7.3 HA3 GLY 14 - HA SER 94 far 0 83 0 - 9.2-38.9 HA ALA 46 - HA SER 124 far 0 91 0 - 9.8-10.6 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 9 assignments used, quality = 1.00: * HB3 SER 94 + HA SER 94 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 SER 124 + HA SER 124 OK 78 78 100 100 2.6-3.0 3.0=100 HA GLN 127 - HA SER 124 far 0 93 0 - 5.7-6.0 HA SER 50 - HA SER 124 far 0 64 0 - 6.1-7.2 HA GLU 91 - HA SER 94 far 0 100 0 - 6.1-6.4 HA2 GLY 17 - HA SER 94 far 0 81 0 - 7.9-40.0 HA3 GLY 17 - HA SER 94 far 0 92 0 - 8.7-38.8 HB3 SER 99 - HA SER 94 far 0 71 0 - 9.5-10.5 HB3 SER 99 - HA SER 124 far 0 61 0 - 9.9-10.8 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 3.5-3.5 3.6=100 H GLN 101 - HA SER 94 far 0 93 0 - 8.5-9.3 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 3 assignments used, quality = 1.00: * H GLU 97 + HA SER 94 OK 100 100 100 100 3.6-3.8 7334=100, 3133/11457=66...(17) H LEU 100 - HA SER 94 far 0 98 0 - 7.8-8.4 H HIS 4 - HA SER 124 far 0 80 0 - 9.5-65.7 Violated in 0 structures by 0.00 A. Peak 2936 from aliabs.peaks (2.13, 4.24, 61.49 ppm; 4.81 A increased from 4.27 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 97 + HA SER 94 OK 100 100 100 100 3.9-4.6 3117=100, 2.9/11457=82...(11) HB VAL 126 - HA SER 124 far 0 61 0 - 5.8-6.2 HB3 LEU 69 - HA SER 94 far 0 73 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 2937 from aliabs.peaks (2.22, 4.24, 61.49 ppm; 4.36 A): 3 out of 8 assignments used, quality = 1.00: * HB3 GLU 97 + HA SER 94 OK 99 100 100 99 4.5-4.9 2.9/11457=72...(11) HB3 GLN 127 + HA SER 124 OK 93 93 100 100 2.9-4.0 4049=99, 1.8/4039=62...(12) HG2 GLU 97 + HA SER 94 OK 75 76 100 99 2.3-3.7 1.8/11456=67, 11457=65...(14) HB3 GLU 128 - HA SER 124 far 0 86 0 - 5.1-6.1 HB3 LEU 96 - HA SER 94 far 0 76 0 - 5.5-5.7 HB3 LEU 96 - HA SER 124 far 0 66 0 - 8.3-9.4 HG2 GLU 91 - HA SER 94 far 0 98 0 - 8.4-10.0 HB2 GLN 101 - HA SER 94 far 0 93 0 - 9.9-11.3 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 6 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 69 100 100 69 3.5-4.5 2858=52, 2857/3.6=36 HA2 GLY 17 - HB2 SER 94 far 0 78 0 - 6.7-39.9 HA VAL 20 - HB2 SER 33 far 0 59 0 - 7.1-21.9 HA3 GLY 17 - HB2 SER 94 far 0 90 0 - 7.1-38.7 HA GLN 68 - HB2 SER 33 far 0 37 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 2940 from aliabs.peaks (4.24, 3.90, 63.10 ppm; 4.22 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 94 + HB2 SER 94 OK 100 100 100 100 2.4-2.9 3.0=100 HA ALA 34 - HB2 SER 33 far 0 47 0 - 5.0-5.7 HA ALA 29 - HB2 SER 33 far 0 67 0 - 7.5-8.1 HA GLN 27 - HB2 SER 33 far 0 69 0 - 8.1-14.0 HA GLU 30 - HB2 SER 33 far 0 48 0 - 9.0-10.3 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): 1 out of 6 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 far 0 100 0 - 3.5-4.5 HA2 GLY 17 - HB2 SER 94 far 0 81 0 - 6.7-39.9 HA VAL 20 - HB2 SER 33 far 0 57 0 - 7.1-21.9 HA3 GLY 17 - HB2 SER 94 far 0 92 0 - 7.1-38.7 HA GLN 68 - HB2 SER 33 far 0 35 0 - 9.4-11.2 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 2 assignments used, quality = 1.00: * HA SER 94 + HB3 SER 94 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 99 - HB3 SER 94 far 0 93 0 - 9.5-10.9 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 4 assignments used, quality = 1.00: * HB2 SER 94 + HB3 SER 94 OK 100 100 100 100 1.8-1.8 1.8=100 HA3 GLY 14 - HB3 SER 94 far 0 83 0 - 7.6-40.4 HA2 GLY 14 - HB3 SER 94 far 0 85 0 - 7.9-39.4 HA LEU 70 - HB3 SER 94 far 0 87 0 - 9.0-9.9 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 1 assignment used, quality = 1.00: * H LYS 95 + HB3 SER 94 OK 100 100 100 100 2.8-4.1 4.4=100 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 - 8.0-8.3 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 2.9-3.0 3.0=100 HB3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 ARG 90 - HA LYS 95 far 0 93 0 - 8.4-9.5 HB2 ARG 90 - HA LYS 95 far 0 73 0 - 9.5-10.7 HB2 MET 11 - HA LYS 95 far 0 85 0 - 10.0-41.1 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 2.3-2.8 3.0=100 HB2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 ARG 90 - HA LYS 95 far 0 97 0 - 8.4-9.5 HB2 ARG 90 - HA LYS 95 far 0 65 0 - 9.5-10.7 HB2 MET 11 - HA LYS 95 far 0 78 0 - 10.0-41.1 Violated in 0 structures by 0.00 A. Peak 2954 from aliabs.peaks (1.39, 4.02, 59.53 ppm; 4.39 A): 2 out of 8 assignments used, quality = 1.00: * HG2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.8-4.0 3.9=100 HG3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.1-3.3 3.9=100 HG LEU 96 - HA LYS 95 far 0 98 0 - 6.2-6.6 HB2 LEU 96 - HA LYS 95 far 0 99 0 - 6.2-6.4 QB ALA 15 - HA LYS 95 far 0 99 0 - 7.1-37.3 QB ALA 12 - HA LYS 95 far 0 60 0 - 7.6-31.1 HB3 LEU 100 - HA LYS 95 far 0 92 0 - 9.4-9.9 QB ALA 16 - HA LYS 95 far 0 100 0 - 9.9-40.4 Violated in 0 structures by 0.00 A. Peak 2955 from aliabs.peaks (1.39, 4.02, 59.53 ppm; 4.39 A): 2 out of 8 assignments used, quality = 1.00: * HG3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.1-3.3 3.9=100 HG2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.8-4.0 3.9=100 HG LEU 96 - HA LYS 95 far 0 96 0 - 6.2-6.6 HB2 LEU 96 - HA LYS 95 far 0 100 0 - 6.2-6.4 QB ALA 15 - HA LYS 95 far 0 100 0 - 7.1-37.3 QB ALA 12 - HA LYS 95 far 0 68 0 - 7.6-31.1 HB3 LEU 100 - HA LYS 95 far 0 96 0 - 9.4-9.9 QB ALA 16 - HA LYS 95 far 0 99 0 - 9.9-40.4 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 3 assignments used, quality = 1.00: * HD2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.7-4.9 5.0=71, 7303/2.9=32...(24) HD3 LYS 95 + HA LYS 95 OK 99 100 100 100 3.1-4.7 5.0=71, 7303/2.9=32...(25) HB2 LEU 98 + HA LYS 95 OK 99 99 100 100 2.5-3.1 3158=98, 3.1/11470=80...(15) 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 3 assignments used, quality = 1.00: * HD3 LYS 95 + HA LYS 95 OK 100 100 100 100 3.1-4.7 5.0=71, 7304/2.9=32...(25) HD2 LYS 95 + HA LYS 95 OK 99 100 100 100 2.7-4.9 5.0=71, 7304/2.9=32...(24) HB2 LEU 98 + HA LYS 95 OK 95 95 100 100 2.5-3.1 3158=91, 3.1/11470=79...(15) 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 4.6-5.4 6.4=58, 1.8/3044=39...(23) HE3 LYS 95 + HA LYS 95 OK 90 100 90 100 5.1-6.1 6.4=58, 1.8/3033=39...(23) 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: HE2 LYS 95 + HA LYS 95 OK 100 100 100 100 4.6-5.4 6.4=59, 1.8/3044=39...(23) * HE3 LYS 95 + HA LYS 95 OK 90 100 90 100 5.1-6.1 6.4=59, 1.8/3033=39...(23) 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 4 assignments used, quality = 1.00: * H LEU 96 + HA LYS 95 OK 100 100 100 100 3.5-3.5 3.6=100 H SER 99 + HA LYS 95 OK 89 90 100 99 3.9-4.6 4.6/3158=53, 3.8/2961=47...(15) H VAL 126 - HA LYS 95 far 0 100 0 - 8.5-8.9 H LEU 123 - HA LYS 95 far 0 99 0 - 9.7-10.6 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 3.3-3.6 3192/11470=79...(13) 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 3 assignments used, quality = 1.00: * HB2 LEU 98 + HA LYS 95 OK 100 100 100 100 2.5-3.1 3158=100, 3.1/11470=71...(15) HD3 LYS 95 + HA LYS 95 OK 93 95 100 99 3.1-4.7 5.0=56, 1.8/3011=27...(25) HD2 LYS 95 + HA LYS 95 OK 92 99 95 99 2.7-4.9 5.0=56, 1.8/3011=27...(24) Violated in 0 structures by 0.00 A. Peak 2963 from aliabs.peaks (1.78, 4.02, 59.53 ppm; 4.50 A increased from 4.24 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 98 + HA LYS 95 OK 100 100 100 100 4.1-4.6 1.8/3158=92...(23) HB3 LEU 122 - HA LYS 95 far 0 99 0 - 7.3-10.2 HG LEU 100 - HA LYS 95 far 0 97 0 - 8.0-9.0 Violated in 1 structures by 0.01 A. Peak 2964 from aliabs.peaks (4.05, 1.94, 32.11 ppm; 4.40 A): 5 out of 7 assignments used, quality = 1.00: HA ALA 92 + HB3 LYS 95 OK 99 100 100 100 4.3-4.8 ~9948=53, ~9948=53...(15) * HA ALA 92 + HB2 LYS 95 OK 99 100 100 99 2.8-3.6 2895=50, 2894/4.0=49...(14) HA LEU 96 + HB2 LYS 95 OK 91 100 100 91 3.9-4.9 2.9/7316=32, ~7317=22...(27) HA LEU 96 + HB3 LYS 95 OK 87 100 95 92 4.0-5.0 2.9/7316=32, ~7316=22...(28) HD3 PRO 81 + HB3 PRO 81 OK 40 40 100 100 3.9-3.9 3.0=100 HA LEU 122 - HB3 LYS 95 far 0 91 0 - 5.1-7.0 HA LEU 122 - HB2 LYS 95 far 0 92 0 - 5.8-7.2 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 2.1-2.9 4.0=100 H LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.4-3.6 4.0=100 H GLN 101 - HB3 LYS 95 far 0 92 0 - 9.3-10.0 H GLN 101 - HB2 LYS 95 far 0 93 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 2966 from aliabs.peaks (4.02, 1.94, 32.11 ppm; 4.16 A): 5 out of 13 assignments used, quality = 1.00: * HA LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.9-3.0 3.0=100 HA LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-2.8 3.0=100 HD3 PRO 81 + HB3 PRO 81 OK 47 47 100 100 3.9-3.9 3.0=100 HA LEU 96 + HB3 LYS 95 OK 46 59 90 86 4.0-5.0 2.9/7316=29, ~7316=20...(27) HA LEU 96 + HB2 LYS 95 OK 28 60 55 85 3.9-4.9 2.9/7316=29, ~7317=20...(25) HA SER 60 - HB2 PRO 58 far 0 74 0 - 5.0-5.1 HA LEU 122 - HB3 LYS 95 far 0 91 0 - 5.1-7.0 HB3 SER 99 - HB3 LYS 95 far 0 64 0 - 5.5-7.5 HA LEU 122 - HB2 LYS 95 far 0 92 0 - 5.8-7.2 HB3 SER 99 - HB2 LYS 95 far 0 65 0 - 7.1-8.6 HB3 SER 124 - HB3 LYS 95 far 0 95 0 - 7.7-8.8 HA ARG 135 - HB3 PRO 81 far 0 50 0 - 7.8-10.9 HB3 SER 124 - HB2 LYS 95 far 0 96 0 - 8.0-9.4 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): 5 out of 19 assignments used, quality = 1.00: * HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-2.8 3.0=100 HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.6-3.0 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 QB ALA 110 + HB2 PRO 58 OK 22 84 45 58 4.1-6.0 10930/1.8=34...(4) HB2 LEU 96 - HB2 LYS 95 poor 20 99 20 - 4.9-5.7 QB ALA 15 - HB3 PRO 81 far 3 50 5 - 4.1-36.3 QB ALA 109 - HB2 PRO 58 far 0 86 0 - 5.2-6.9 HB2 LEU 96 - HB3 LYS 95 far 0 98 0 - 5.2-6.4 HG LEU 96 - HB2 LYS 95 far 0 98 0 - 6.3-6.8 HG LEU 96 - HB3 LYS 95 far 0 97 0 - 6.6-7.6 QB ALA 12 - HB2 LYS 95 far 0 60 0 - 7.3-32.4 QB ALA 108 - HB2 PRO 58 far 0 82 0 - 7.7-9.7 QB ALA 15 - HB2 LYS 95 far 0 99 0 - 8.4-38.2 QB ALA 12 - HB3 LYS 95 far 0 59 0 - 8.5-33.1 QB ALA 15 - HB3 LYS 95 far 0 98 0 - 8.5-39.0 HG2 LYS 86 - HB3 PRO 81 far 0 31 0 - 8.6-11.1 QB ALA 16 - HB3 PRO 81 far 0 52 0 - 9.0-37.6 HG2 LYS 19 - HB3 PRO 81 far 0 40 0 - 9.4-37.9 Violated in 0 structures by 0.00 A. Peak 2970 from aliabs.peaks (1.39, 1.94, 32.11 ppm; 4.54 A): 5 out of 19 assignments used, quality = 1.00: * HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-2.8 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 QB ALA 110 + HB2 PRO 58 OK 23 86 45 59 4.1-6.0 10930/1.8=35...(4) HB2 LEU 96 - HB2 LYS 95 poor 20 100 20 - 4.9-5.7 QB ALA 15 - HB3 PRO 81 far 3 52 5 - 4.1-36.3 QB ALA 109 - HB2 PRO 58 far 0 86 0 - 5.2-6.9 HB2 LEU 96 - HB3 LYS 95 far 0 99 0 - 5.2-6.4 HG LEU 96 - HB2 LYS 95 far 0 96 0 - 6.3-6.8 HG LEU 96 - HB3 LYS 95 far 0 95 0 - 6.6-7.6 QB ALA 12 - HB2 LYS 95 far 0 68 0 - 7.3-32.4 QB ALA 108 - HB2 PRO 58 far 0 84 0 - 7.7-9.7 QB ALA 15 - HB2 LYS 95 far 0 100 0 - 8.4-38.2 QB ALA 12 - HB3 LYS 95 far 0 67 0 - 8.5-33.1 QB ALA 15 - HB3 LYS 95 far 0 99 0 - 8.5-39.0 HG2 LYS 86 - HB3 PRO 81 far 0 26 0 - 8.6-11.1 QB ALA 16 - HB3 PRO 81 far 0 51 0 - 9.0-37.6 HG2 LYS 19 - HB3 PRO 81 far 0 43 0 - 9.4-37.9 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 19 assignments used, quality = 1.00: * HD2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-3.5 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-4.0 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 99 99 100 100 2.4-4.2 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 88 98 90 100 4.3-5.6 3158/3.0=66, ~2963=39...(23) HB2 LEU 98 - HB2 LYS 95 far 0 99 0 - 5.2-6.1 HG LEU 62 - HB2 PRO 58 far 0 82 0 - 6.3-6.6 HG2 ARG 84 - HB3 PRO 81 far 0 41 0 - 6.8-10.8 HD2 LYS 39 - HB3 PRO 81 far 0 31 0 - 7.6-10.6 HG3 ARG 84 - HB3 PRO 81 far 0 45 0 - 7.7-10.6 QB ALA 88 - HB2 LYS 95 far 0 98 0 - 8.1-9.5 HD2 LYS 86 - HB3 PRO 81 far 0 52 0 - 9.2-11.5 QB ALA 88 - HB3 LYS 95 far 0 97 0 - 9.3-10.7 HD3 LYS 86 - HB3 PRO 81 far 0 52 0 - 9.4-10.8 HD3 LYS 19 - HB3 PRO 81 far 0 51 0 - 9.5-40.2 QB ALA 88 - HB3 PRO 81 far 0 49 0 - 9.5-11.5 HB2 LEU 123 - HB3 LYS 95 far 0 99 0 - 9.5-10.8 HB2 LEU 69 - HB2 LYS 95 far 0 100 0 - 9.6-10.2 HB2 LEU 123 - HB2 LYS 95 far 0 100 0 - 9.9-11.5 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 19 assignments used, quality = 1.00: * HD3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-4.0 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.4-4.2 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-3.5 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 99 99 100 100 2.1-4.2 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 84 94 90 100 4.3-5.6 3158/3.0=62, ~2963=39...(23) HB2 LEU 98 - HB2 LYS 95 far 0 95 0 - 5.2-6.1 HG LEU 62 - HB2 PRO 58 far 0 76 0 - 6.3-6.6 HG2 ARG 84 - HB3 PRO 81 far 0 35 0 - 6.8-10.8 HD2 LYS 39 - HB3 PRO 81 far 0 37 0 - 7.6-10.6 HG3 ARG 84 - HB3 PRO 81 far 0 39 0 - 7.7-10.6 QB ALA 88 - HB2 LYS 95 far 0 100 0 - 8.1-9.5 HD2 LYS 86 - HB3 PRO 81 far 0 52 0 - 9.2-11.5 QB ALA 88 - HB3 LYS 95 far 0 99 0 - 9.3-10.7 HD3 LYS 86 - HB3 PRO 81 far 0 51 0 - 9.4-10.8 HD3 LYS 19 - HB3 PRO 81 far 0 47 0 - 9.5-40.2 QB ALA 88 - HB3 PRO 81 far 0 52 0 - 9.5-11.5 HB2 LEU 123 - HB3 LYS 95 far 0 97 0 - 9.5-10.8 HB2 LEU 69 - HB2 LYS 95 far 0 98 0 - 9.6-10.2 HB2 LEU 123 - HB2 LYS 95 far 0 97 0 - 9.9-11.5 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 2.0-5.4 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 3.2-4.6 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.9-4.5 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 4.1-5.3 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 79 85 100 92 4.6-5.4 6718/4.3=78, 4.5/9332=50...(5) HB2 ASN 116 - HB2 PRO 58 far 0 65 0 - 9.6-11.0 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 3.2-4.6 5.3=100 HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 4.1-5.3 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.9-4.5 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 77 84 100 92 4.6-5.4 6718/4.3=78, 4.5/9332=50...(5) HB2 ASN 116 - HB2 PRO 58 far 0 69 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 2975 from aliabs.peaks (8.28, 1.94, 32.11 ppm; 4.78 A): 3 out of 8 assignments used, quality = 1.00: * H LEU 96 + HB2 LYS 95 OK 100 100 100 100 2.8-3.1 4.6=100 H LEU 96 + HB3 LYS 95 OK 100 100 100 100 3.3-4.1 4.6=100 H SER 99 + HB3 LYS 95 OK 46 89 80 64 4.8-5.6 2960/3.0=33, ~11439=11...(9) H SER 99 - HB2 LYS 95 far 0 90 0 - 5.7-6.6 H VAL 126 - HB2 LYS 95 far 0 100 0 - 6.3-7.4 H VAL 126 - HB3 LYS 95 far 0 99 0 - 6.7-8.2 H LEU 123 - HB3 LYS 95 far 0 98 0 - 8.2-9.6 H LEU 123 - HB2 LYS 95 far 0 99 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 2976 from aliabs.peaks (4.05, 1.94, 32.11 ppm; 4.41 A): 5 out of 8 assignments used, quality = 1.00: * HA ALA 92 + HB3 LYS 95 OK 100 100 100 100 4.3-4.8 ~9948=54, ~9948=53...(15) HA ALA 92 + HB2 LYS 95 OK 99 100 100 99 2.8-3.6 2.1/9948=54, 2896=50...(14) HA LEU 96 + HB2 LYS 95 OK 91 100 100 91 3.9-4.9 2.9/7317=32, ~7317=22...(27) HA LEU 96 + HB3 LYS 95 OK 87 100 95 92 4.0-5.0 2.9/7317=32, ~7316=22...(30) HD3 PRO 81 + HB3 PRO 81 OK 47 47 100 100 3.9-3.9 3.0=100 HA LEU 122 - HB3 LYS 95 far 0 92 0 - 5.1-7.0 HA LEU 122 - HB2 LYS 95 far 0 91 0 - 5.8-7.2 HD3 PRO 81 - HB3 LYS 86 far 0 27 0 - 7.6-9.3 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 3.4-3.6 4.0=100 H LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.1-2.9 4.0=100 H GLN 101 - HB3 LYS 95 far 0 93 0 - 9.3-10.0 H GLN 101 - HB2 LYS 95 far 0 92 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 2978 from aliabs.peaks (4.02, 1.94, 32.11 ppm; 4.17 A): 5 out of 14 assignments used, quality = 1.00: * HA LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-2.8 3.0=100 HA LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.9-3.0 3.0=100 HD3 PRO 81 + HB3 PRO 81 OK 54 54 100 100 3.9-3.9 3.0=100 HA LEU 96 + HB3 LYS 95 OK 46 60 90 86 4.0-5.0 2.9/7317=29, ~7316=20...(27) HA LEU 96 + HB2 LYS 95 OK 28 59 55 85 3.9-4.9 2.9/7317=29, ~7317=20...(25) HA SER 60 - HB2 PRO 58 far 0 82 0 - 5.0-5.1 HA LEU 122 - HB3 LYS 95 far 0 92 0 - 5.1-7.0 HB3 SER 99 - HB3 LYS 95 far 0 65 0 - 5.5-7.5 HA LEU 122 - HB2 LYS 95 far 0 91 0 - 5.8-7.2 HB3 SER 99 - HB2 LYS 95 far 0 64 0 - 7.1-8.6 HD3 PRO 81 - HB3 LYS 86 far 0 32 0 - 7.6-9.3 HB3 SER 124 - HB3 LYS 95 far 0 96 0 - 7.7-8.8 HA ARG 135 - HB3 PRO 81 far 0 59 0 - 7.8-10.9 HB3 SER 124 - HB2 LYS 95 far 0 95 0 - 8.0-9.4 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): 7 out of 23 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 2.3-2.8 3.0=100 HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.6-3.0 3.0=100 QB ALA 110 + HB2 PRO 58 OK 24 92 45 58 4.1-6.0 10930/1.8=34...(4) HB2 LEU 96 + HB2 LYS 95 OK 21 98 25 85 4.9-5.7 3.8/7317=29, 3.0/2964=14...(25) HG2 LYS 86 + HB3 LYS 86 OK 20 20 100 100 2.9-3.0 3.0=100 QB ALA 15 - HB3 PRO 81 far 3 59 5 - 4.1-36.3 QB ALA 109 - HB2 PRO 58 far 0 93 0 - 5.2-6.9 HB2 LEU 96 - HB3 LYS 95 far 0 99 0 - 5.2-6.4 HG LEU 96 - HB2 LYS 95 far 0 97 0 - 6.3-6.8 HG LEU 96 - HB3 LYS 95 far 0 98 0 - 6.6-7.6 QB ALA 15 - HB3 LYS 86 far 0 35 0 - 7.2-34.4 QB ALA 12 - HB2 LYS 95 far 0 59 0 - 7.3-32.4 QB ALA 108 - HB2 PRO 58 far 0 89 0 - 7.7-9.7 QB ALA 15 - HB2 LYS 95 far 0 98 0 - 8.4-38.2 QB ALA 12 - HB3 LYS 95 far 0 60 0 - 8.5-33.1 QB ALA 15 - HB3 LYS 95 far 0 99 0 - 8.5-39.0 HG2 LYS 86 - HB3 PRO 81 far 0 36 0 - 8.6-11.1 QB ALA 16 - HB3 PRO 81 far 0 60 0 - 9.0-37.6 HG2 LYS 19 - HB3 PRO 81 far 0 47 0 - 9.4-37.9 QB ALA 16 - HB3 LYS 86 far 0 36 0 - 9.9-36.1 HG2 LYS 19 - HB3 LYS 86 far 0 27 0 - 9.9-37.0 Violated in 0 structures by 0.00 A. Peak 2982 from aliabs.peaks (1.39, 1.94, 32.11 ppm; 4.54 A): 6 out of 22 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 2.6-3.0 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-2.8 3.0=100 QB ALA 110 + HB2 PRO 58 OK 25 93 45 59 4.1-6.0 10930/1.8=35...(4) HB2 LEU 96 + HB2 LYS 95 OK 21 99 25 84 4.9-5.7 3.8/7317=28, 3.0/2964=14...(25) QB ALA 15 - HB3 PRO 81 far 3 60 5 - 4.1-36.3 QB ALA 109 - HB2 PRO 58 far 0 93 0 - 5.2-6.9 HB2 LEU 96 - HB3 LYS 95 far 0 100 0 - 5.2-6.4 HG LEU 96 - HB2 LYS 95 far 0 95 0 - 6.3-6.8 HG LEU 96 - HB3 LYS 95 far 0 96 0 - 6.6-7.6 QB ALA 15 - HB3 LYS 86 far 0 36 0 - 7.2-34.4 QB ALA 12 - HB2 LYS 95 far 0 67 0 - 7.3-32.4 QB ALA 108 - HB2 PRO 58 far 0 92 0 - 7.7-9.7 QB ALA 15 - HB2 LYS 95 far 0 99 0 - 8.4-38.2 QB ALA 12 - HB3 LYS 95 far 0 68 0 - 8.5-33.1 QB ALA 15 - HB3 LYS 95 far 0 100 0 - 8.5-39.0 HG2 LYS 86 - HB3 PRO 81 far 0 31 0 - 8.6-11.1 QB ALA 16 - HB3 PRO 81 far 0 59 0 - 9.0-37.6 HG2 LYS 19 - HB3 PRO 81 far 0 51 0 - 9.4-37.9 QB ALA 16 - HB3 LYS 86 far 0 35 0 - 9.9-36.1 HG2 LYS 19 - HB3 LYS 86 far 0 30 0 - 9.9-37.0 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 26 assignments used, quality = 1.00: * HD2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-3.5 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.4-4.2 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 99 99 100 100 2.2-4.0 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 89 99 90 100 4.3-5.6 3158/3.0=67, ~2963=39...(23) HD3 LYS 86 + HB3 LYS 86 OK 36 36 100 100 2.4-2.9 3.5=100 HD2 LYS 86 + HB3 LYS 86 OK 36 36 100 100 3.6-3.9 3.5=100 HB2 LEU 98 - HB2 LYS 95 far 0 98 0 - 5.2-6.1 HG2 ARG 84 - HB3 LYS 86 far 0 28 0 - 6.0-7.3 QB ALA 88 - HB3 LYS 86 far 0 34 0 - 6.0-6.6 HG LEU 62 - HB2 PRO 58 far 0 89 0 - 6.3-6.6 HG3 ARG 84 - HB3 LYS 86 far 0 30 0 - 6.8-8.6 HG2 ARG 84 - HB3 PRO 81 far 0 48 0 - 6.8-10.8 HD2 LYS 39 - HB3 PRO 81 far 0 36 0 - 7.6-10.6 HG3 ARG 84 - HB3 PRO 81 far 0 52 0 - 7.7-10.6 HD3 LYS 19 - HB3 LYS 86 far 0 35 0 - 7.9-39.2 QB ALA 88 - HB2 LYS 95 far 0 97 0 - 8.1-9.5 HD2 LYS 19 - HB3 LYS 86 far 0 36 0 - 8.7-39.0 HD2 LYS 86 - HB3 PRO 81 far 0 61 0 - 9.2-11.5 QB ALA 88 - HB3 LYS 95 far 0 98 0 - 9.3-10.7 HD3 LYS 86 - HB3 PRO 81 far 0 61 0 - 9.4-10.8 HD3 LYS 19 - HB3 PRO 81 far 0 59 0 - 9.5-40.2 QB ALA 88 - HB3 PRO 81 far 0 57 0 - 9.5-11.5 HB2 LEU 123 - HB3 LYS 95 far 0 100 0 - 9.5-10.8 HB2 LEU 69 - HB2 LYS 95 far 0 99 0 - 9.6-10.2 HB2 LEU 123 - HB2 LYS 95 far 0 99 0 - 9.9-11.5 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 26 assignments used, quality = 1.00: * HD3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.4-4.2 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-4.0 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 99 99 100 100 2.2-3.5 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 85 95 90 100 4.3-5.6 3158/3.0=62, ~2963=39...(23) HD2 LYS 86 + HB3 LYS 86 OK 36 36 100 100 3.6-3.9 3.5=100 HD3 LYS 86 + HB3 LYS 86 OK 35 35 100 100 2.4-2.9 3.5=100 HB2 LEU 98 - HB2 LYS 95 far 0 94 0 - 5.2-6.1 HG2 ARG 84 - HB3 LYS 86 far 0 23 0 - 6.0-7.3 QB ALA 88 - HB3 LYS 86 far 0 36 0 - 6.0-6.6 HG LEU 62 - HB2 PRO 58 far 0 83 0 - 6.3-6.6 HG3 ARG 84 - HB3 LYS 86 far 0 26 0 - 6.8-8.6 HG2 ARG 84 - HB3 PRO 81 far 0 41 0 - 6.8-10.8 HD2 LYS 39 - HB3 PRO 81 far 0 44 0 - 7.6-10.6 HG3 ARG 84 - HB3 PRO 81 far 0 45 0 - 7.7-10.6 HD3 LYS 19 - HB3 LYS 86 far 0 32 0 - 7.9-39.2 QB ALA 88 - HB2 LYS 95 far 0 99 0 - 8.1-9.5 HD2 LYS 19 - HB3 LYS 86 far 0 34 0 - 8.7-39.0 HD2 LYS 86 - HB3 PRO 81 far 0 60 0 - 9.2-11.5 QB ALA 88 - HB3 LYS 95 far 0 100 0 - 9.3-10.7 HD3 LYS 86 - HB3 PRO 81 far 0 59 0 - 9.4-10.8 HD3 LYS 19 - HB3 PRO 81 far 0 55 0 - 9.5-40.2 QB ALA 88 - HB3 PRO 81 far 0 60 0 - 9.5-11.5 HB2 LEU 123 - HB3 LYS 95 far 0 97 0 - 9.5-10.8 HB2 LEU 69 - HB2 LYS 95 far 0 97 0 - 9.6-10.2 HB2 LEU 123 - HB2 LYS 95 far 0 97 0 - 9.9-11.5 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 2.9-4.5 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 4.1-5.3 5.3=100 HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 3.2-4.6 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 86 92 100 93 4.6-5.4 6718/4.3=78, 4.5/9332=54...(5) HB2 ASN 116 - HB2 PRO 58 far 0 72 0 - 9.6-11.0 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 4.1-5.3 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.9-4.5 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 3.2-4.6 5.3=100 HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 85 92 100 93 4.6-5.4 6718/4.3=78, 4.5/9332=54...(5) HB2 ASN 116 - HB2 PRO 58 far 0 76 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 2987 from aliabs.peaks (8.28, 1.94, 32.11 ppm; 4.78 A): 3 out of 8 assignments used, quality = 1.00: * H LEU 96 + HB3 LYS 95 OK 100 100 100 100 3.3-4.1 4.6=100 H LEU 96 + HB2 LYS 95 OK 100 100 100 100 2.8-3.1 4.6=100 H SER 99 + HB3 LYS 95 OK 46 90 80 64 4.8-5.6 2960/3.0=33, ~11439=11...(9) H SER 99 - HB2 LYS 95 far 0 89 0 - 5.7-6.6 H VAL 126 - HB2 LYS 95 far 0 99 0 - 6.3-7.4 H VAL 126 - HB3 LYS 95 far 0 100 0 - 6.7-8.2 H LEU 123 - HB3 LYS 95 far 0 99 0 - 8.2-9.6 H LEU 123 - HB2 LYS 95 far 0 98 0 - 8.5-10.1 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 10 assignments used, quality = 1.00: * HA LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.8-4.0 3.9=100 HA LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-3.3 3.9=100 HA LEU 96 - HG3 LYS 95 far 0 59 0 - 5.8-6.7 HA LEU 96 - HG2 LYS 95 far 0 60 0 - 6.1-6.6 HB3 SER 99 - HG2 LYS 95 far 0 65 0 - 6.7-9.8 HB3 SER 99 - HG3 LYS 95 far 0 64 0 - 6.8-9.5 HA LEU 122 - HG2 LYS 95 far 0 92 0 - 7.2-8.5 HA LEU 122 - HG3 LYS 95 far 0 91 0 - 7.6-8.7 HB3 SER 124 - HG2 LYS 95 far 0 96 0 - 8.4-10.8 HB3 SER 124 - HG3 LYS 95 far 0 95 0 - 9.8-10.7 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 2.3-2.8 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 2.6-3.0 3.0=100 HB3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 90 - HG3 LYS 95 far 0 92 0 - 7.2-9.9 HB3 ARG 90 - HG2 LYS 95 far 0 93 0 - 7.3-10.6 HB2 MET 11 - HG2 LYS 95 far 0 85 0 - 7.4-44.1 HB2 MET 11 - HG3 LYS 95 far 0 84 0 - 7.6-42.4 HB2 ARG 90 - HG3 LYS 95 far 0 72 0 - 7.9-10.6 HB2 ARG 90 - HG2 LYS 95 far 0 73 0 - 8.0-11.1 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 2.3-2.8 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 2.6-3.0 3.0=100 HB3 ARG 90 - HG3 LYS 95 far 0 96 0 - 7.2-9.9 HB3 ARG 90 - HG2 LYS 95 far 0 97 0 - 7.3-10.6 HB2 MET 11 - HG2 LYS 95 far 0 78 0 - 7.4-44.1 HB2 MET 11 - HG3 LYS 95 far 0 77 0 - 7.6-42.4 HB2 ARG 90 - HG3 LYS 95 far 0 64 0 - 7.9-10.6 HB2 ARG 90 - HG2 LYS 95 far 0 65 0 - 8.0-11.1 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 8 assignments used, quality = 1.00: * HD2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HD3 LYS 95 + HG3 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HB2 LEU 98 + HG3 LYS 95 OK 46 98 70 67 4.0-5.9 3158/3.9=49...(7) HB2 LEU 98 - HG2 LYS 95 far 0 99 0 - 5.2-6.6 QB ALA 88 - HG2 LYS 95 far 0 98 0 - 7.7-10.4 QB ALA 88 - HG3 LYS 95 far 0 97 0 - 8.2-10.7 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 8 assignments used, quality = 1.00: * HD3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HD3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 95 + HG3 LYS 95 OK 99 99 100 100 2.3-3.0 2.9=100 HB2 LEU 98 + HG3 LYS 95 OK 42 94 70 65 4.0-5.9 3158/3.9=45...(7) HB2 LEU 98 - HG2 LYS 95 far 0 95 0 - 5.2-6.6 QB ALA 88 - HG2 LYS 95 far 0 100 0 - 7.7-10.4 QB ALA 88 - HG3 LYS 95 far 0 99 0 - 8.2-10.7 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 2.0-3.5 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.7 3.7=100 HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-3.7 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.9-4.2 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 2.2-3.7 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.0-3.5 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.9-4.2 3.7=100 HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-3.7 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 10 assignments used, quality = 1.00: * HA LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-3.3 3.9=100 HA LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.8-4.0 3.9=100 HA LEU 96 - HG3 LYS 95 far 0 60 0 - 5.8-6.7 HA LEU 96 - HG2 LYS 95 far 0 59 0 - 6.1-6.6 HB3 SER 99 - HG2 LYS 95 far 0 64 0 - 6.7-9.8 HB3 SER 99 - HG3 LYS 95 far 0 65 0 - 6.8-9.5 HA LEU 122 - HG2 LYS 95 far 0 91 0 - 7.2-8.5 HA LEU 122 - HG3 LYS 95 far 0 92 0 - 7.6-8.7 HB3 SER 124 - HG2 LYS 95 far 0 95 0 - 8.4-10.8 HB3 SER 124 - HG3 LYS 95 far 0 96 0 - 9.8-10.7 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 2.6-3.0 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 2.3-2.8 3.0=100 HB3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 90 - HG3 LYS 95 far 0 93 0 - 7.2-9.9 HB3 ARG 90 - HG2 LYS 95 far 0 92 0 - 7.3-10.6 HB2 MET 11 - HG2 LYS 95 far 0 84 0 - 7.4-44.1 HB2 MET 11 - HG3 LYS 95 far 0 85 0 - 7.6-42.4 HB2 ARG 90 - HG3 LYS 95 far 0 73 0 - 7.9-10.6 HB2 ARG 90 - HG2 LYS 95 far 0 72 0 - 8.0-11.1 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 2.6-3.0 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 2.3-2.8 3.0=100 HB3 ARG 90 - HG3 LYS 95 far 0 97 0 - 7.2-9.9 HB3 ARG 90 - HG2 LYS 95 far 0 96 0 - 7.3-10.6 HB2 MET 11 - HG2 LYS 95 far 0 77 0 - 7.4-44.1 HB2 MET 11 - HG3 LYS 95 far 0 78 0 - 7.6-42.4 HB2 ARG 90 - HG3 LYS 95 far 0 65 0 - 7.9-10.6 HB2 ARG 90 - HG2 LYS 95 far 0 64 0 - 8.0-11.1 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 8 assignments used, quality = 1.00: * HD2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 95 + HG2 LYS 95 OK 99 99 100 100 2.5-3.0 2.9=100 HB2 LEU 98 + HG3 LYS 95 OK 39 99 60 65 4.0-5.9 3158/3.9=47...(7) HB2 LEU 98 - HG2 LYS 95 far 0 98 0 - 5.2-6.6 QB ALA 88 - HG2 LYS 95 far 0 97 0 - 7.7-10.4 QB ALA 88 - HG3 LYS 95 far 0 98 0 - 8.2-10.7 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 8 assignments used, quality = 1.00: * HD3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HD2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 95 + HG2 LYS 95 OK 99 99 100 100 2.3-3.0 2.9=100 HB2 LEU 98 + HG3 LYS 95 OK 36 95 60 63 4.0-5.9 3158/3.9=44...(7) HB2 LEU 98 - HG2 LYS 95 far 0 94 0 - 5.2-6.6 QB ALA 88 - HG2 LYS 95 far 0 99 0 - 7.7-10.4 QB ALA 88 - HG3 LYS 95 far 0 100 0 - 8.2-10.7 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 2.1-3.7 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.9-4.2 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.0-3.5 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.7 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 2.9-4.2 3.7=100 HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-3.7 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.7 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.0-3.5 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): 3 out of 17 assignments used, quality = 1.00: * HA LYS 95 + HD2 LYS 95 OK 88 100 90 98 2.7-4.9 5.0=52, 2.9/7303=26...(24) HA LYS 95 + HD3 LYS 95 OK 87 99 90 98 3.1-4.7 5.0=52, 2.9/7303=26...(25) HA ILE 37 + HD3 LYS 36 OK 80 82 100 98 3.3-4.5 1089/10818=48...(21) HA ILE 37 - HD2 LYS 36 far 0 80 0 - 4.8-5.4 HA LEU 96 - HD3 LYS 95 far 0 57 0 - 6.4-8.0 HA LEU 96 - HD2 LYS 95 far 0 60 0 - 6.4-8.0 HB2 SER 38 - HD3 LYS 36 far 0 60 0 - 7.0-8.4 HA LEU 122 - HD3 LYS 95 far 0 89 0 - 7.7-9.8 HA LEU 122 - HD2 LYS 95 far 0 92 0 - 7.8-10.2 HA GLN 68 - HD3 LYS 36 far 0 58 0 - 7.9-10.6 HB2 SER 38 - HD2 LYS 36 far 0 58 0 - 8.1-9.0 HB3 SER 124 - HD3 LYS 95 far 0 93 0 - 8.1-11.6 HB3 SER 99 - HD3 LYS 95 far 0 63 0 - 8.8-10.3 HB3 SER 124 - HD2 LYS 95 far 0 96 0 - 8.8-12.0 HB3 SER 99 - HD2 LYS 95 far 0 65 0 - 8.9-10.6 HA GLN 68 - HD2 LYS 36 far 0 56 0 - 9.2-11.9 HD3 PRO 81 - HD3 LYS 19 far 0 64 0 - 9.6-38.3 Violated in 0 structures by 0.00 A. Peak 3012 from aliabs.peaks (1.94, 1.65, 28.97 ppm; 4.22 A): 4 out of 34 assignments used, quality = 1.00: * HB2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.2-3.5 3.7=100 HB3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HB2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-4.0 3.7=100 HB3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.4-4.2 3.7=100 HB2 GLU 30 - HD2 LYS 26 far 10 98 10 - 4.2-9.3 HB2 GLU 30 - HD3 LYS 26 far 9 94 10 - 4.7-9.0 HB2 GLN 27 - HD3 LYS 26 far 3 55 5 - 4.8-9.2 HB2 MET 11 - HD3 LYS 19 far 3 54 5 - 3.4-24.7 HB2 MET 11 - HD2 LYS 19 far 0 56 0 - 4.9-23.8 HB2 GLN 27 - HD2 LYS 26 far 0 59 0 - 5.1-7.9 HB2 MET 11 - HD2 LYS 95 far 0 85 0 - 5.5-43.2 HB2 MET 11 - HD3 LYS 95 far 0 82 0 - 5.7-42.3 HB2 MET 11 - HD2 LYS 31 far 0 83 0 - 5.8-37.1 HB2 GLU 30 - HD2 LYS 31 far 0 100 0 - 6.0-8.2 HB2 MET 11 - HD3 LYS 31 far 0 82 0 - 6.1-37.3 HB3 ARG 90 - HD3 LYS 95 far 0 91 0 - 6.1-10.3 HB2 GLU 30 - HD3 LYS 31 far 0 99 0 - 6.2-8.3 HB2 ARG 90 - HD3 LYS 95 far 0 70 0 - 6.8-10.5 HB3 ARG 90 - HD2 LYS 95 far 0 93 0 - 6.9-9.4 HB3 ARG 90 - HD3 LYS 19 far 0 62 0 - 6.9-39.4 HB3 ARG 90 - HD2 LYS 19 far 0 64 0 - 7.2-39.5 HB2 ARG 90 - HD3 LYS 19 far 0 45 0 - 7.5-40.1 HB2 GLN 27 - HD3 LYS 31 far 0 60 0 - 7.5-13.0 HB2 GLN 27 - HD2 LYS 31 far 0 61 0 - 7.6-13.5 HB2 ARG 90 - HD2 LYS 95 far 0 73 0 - 7.7-10.1 HB3 LYS 86 - HD3 LYS 19 far 0 52 0 - 7.9-39.2 HB2 ARG 90 - HD2 LYS 19 far 0 47 0 - 8.0-40.1 HB3 LYS 86 - HD2 LYS 19 far 0 54 0 - 8.7-39.0 HB2 GLN 27 - HD3 LYS 24 far 0 49 0 - 8.8-14.0 HB2 GLN 27 - HD3 LYS 19 far 0 38 0 - 8.8-22.6 HB3 PRO 81 - HD3 LYS 19 far 0 60 0 - 9.5-40.2 HB2 GLN 27 - HD2 LYS 24 far 0 45 0 - 9.8-14.7 HB3 ARG 90 - HD2 LYS 24 far 0 72 0 - 9.8-28.6 HB3 ARG 90 - HD3 LYS 24 far 0 78 0 - 9.8-26.9 Violated in 0 structures by 0.00 A. Peak 3013 from aliabs.peaks (1.94, 1.65, 28.97 ppm; 4.21 A): 4 out of 37 assignments used, quality = 1.00: * HB3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HB2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.2-3.5 3.7=100 HB3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.4-4.2 3.7=100 HB2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-4.0 3.7=100 HB2 GLU 30 - HD2 LYS 26 far 10 98 10 - 4.2-9.3 HB2 GLU 30 - HD3 LYS 26 far 9 94 10 - 4.7-9.0 HB2 GLN 27 - HD3 LYS 26 far 3 62 5 - 4.8-9.2 HB2 MET 11 - HD3 LYS 19 far 2 49 5 - 3.4-24.7 HB2 MET 11 - HD2 LYS 19 far 0 51 0 - 4.9-23.8 HB ILE 37 - HD3 LYS 36 far 0 43 0 - 4.9-5.9 HB2 GLN 27 - HD2 LYS 26 far 0 67 0 - 5.1-7.9 HB2 MET 11 - HD2 LYS 95 far 0 78 0 - 5.5-43.2 HB2 MET 11 - HD3 LYS 95 far 0 75 0 - 5.7-42.3 HB2 MET 11 - HD2 LYS 31 far 0 77 0 - 5.8-37.1 HB ILE 37 - HD2 LYS 36 far 0 42 0 - 5.9-6.5 HB2 GLU 30 - HD2 LYS 31 far 0 100 0 - 6.0-8.2 HB2 MET 11 - HD3 LYS 31 far 0 75 0 - 6.1-37.3 HB3 ARG 90 - HD3 LYS 95 far 0 94 0 - 6.1-10.3 HB2 GLU 30 - HD3 LYS 31 far 0 99 0 - 6.2-8.3 HB2 ARG 90 - HD3 LYS 95 far 0 63 0 - 6.8-10.5 HB3 ARG 90 - HD2 LYS 95 far 0 97 0 - 6.9-9.4 HB3 ARG 90 - HD3 LYS 19 far 0 66 0 - 6.9-39.4 HB3 ARG 90 - HD2 LYS 19 far 0 68 0 - 7.2-39.5 HB2 ARG 90 - HD3 LYS 19 far 0 40 0 - 7.5-40.1 HB2 GLN 27 - HD3 LYS 31 far 0 68 0 - 7.5-13.0 HB2 GLN 27 - HD2 LYS 31 far 0 69 0 - 7.6-13.5 HB2 ARG 90 - HD2 LYS 95 far 0 65 0 - 7.7-10.1 HB3 LYS 86 - HD3 LYS 19 far 0 57 0 - 7.9-39.2 HB2 ARG 90 - HD2 LYS 19 far 0 41 0 - 8.0-40.1 HB3 LYS 86 - HD2 LYS 19 far 0 59 0 - 8.7-39.0 HB2 GLN 27 - HD3 LYS 24 far 0 56 0 - 8.8-14.0 HB2 GLN 27 - HD3 LYS 19 far 0 43 0 - 8.8-22.6 HB ILE 37 - HD2 LYS 26 far 0 56 0 - 9.1-13.0 HB3 PRO 81 - HD3 LYS 19 far 0 64 0 - 9.5-40.2 HB2 GLN 27 - HD2 LYS 24 far 0 51 0 - 9.8-14.7 HB3 ARG 90 - HD2 LYS 24 far 0 76 0 - 9.8-28.6 HB3 ARG 90 - HD3 LYS 24 far 0 82 0 - 9.8-26.9 Violated in 0 structures by 0.00 A. Peak 3014 from aliabs.peaks (1.39, 1.65, 28.97 ppm; 4.91 A): 14 out of 92 assignments used, quality = 1.00: * HG2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-3.0 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 99 99 100 100 2.5-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 96 96 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 92 92 100 100 2.6-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 81 81 100 100 2.4-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 79 79 100 100 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 77 77 100 100 2.7-2.9 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 2.2-2.7 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 56 56 100 100 2.3-3.0 3.0=100 QB ALA 29 - HD2 LYS 26 poor 19 94 35 57 2.5-6.4 10790/10833=21...(14) QB ALA 28 - HD3 LYS 26 poor 19 94 20 - 4.7-8.5 QB ALA 29 - HD3 LYS 26 poor 13 90 30 50 2.3-7.8 10739/10829=16...(14) QB ALA 28 - HD2 LYS 26 poor 13 97 25 52 4.9-7.9 6304/10771=20, ~10771=17...(7) HG3 LYS 31 - HD3 LYS 26 far 9 94 10 - 4.1-12.0 QB ALA 34 - HD3 LYS 26 poor 9 60 35 41 4.4-7.4 10885/10800=39, 3.6/659=2 QB ALA 16 - HD2 LYS 31 far 5 99 5 - 4.6-24.2 QB ALA 16 - HD3 LYS 31 far 5 98 5 - 4.2-24.3 HG3 LYS 31 - HD2 LYS 26 far 5 98 5 - 5.4-12.2 HG2 LYS 19 - HD2 LYS 31 far 4 85 5 - 4.9-23.9 HG2 LYS 19 - HD3 LYS 31 far 4 84 5 - 3.6-23.8 QB ALA 15 - HD2 LYS 19 far 4 72 5 - 3.8-10.9 QB ALA 15 - HD3 LYS 19 far 3 69 5 - 3.7-10.4 QB ALA 16 - HD2 LYS 19 lone 3 74 55 8 3.5-7.5 7141/6.2=1, 10691/10692=1 QB ALA 12 - HD2 LYS 31 far 3 59 5 - 4.5-32.1 QB ALA 12 - HD3 LYS 95 far 3 57 5 - 5.5-31.9 QB ALA 12 - HD3 LYS 31 far 3 57 5 - 5.2-32.1 QB ALA 16 - HD3 LYS 19 lone 2 71 50 7 4.2-7.8 7141/6.2=1 QB ALA 34 - HD2 LYS 26 lone 1 64 45 4 4.2-7.0 3.6/659=3 QB ALA 12 - HD2 LYS 95 far 0 60 0 - 5.6-32.8 QB ALA 34 - HD2 LYS 36 far 0 48 0 - 5.8-6.1 QB ALA 29 - HD2 LYS 36 far 0 75 0 - 6.1-9.0 QB ALA 34 - HD3 LYS 36 far 0 49 0 - 6.3-6.6 HG3 LYS 31 - HD2 LYS 36 far 0 80 0 - 6.6-10.5 HB2 LEU 96 - HD2 LYS 95 far 0 99 0 - 6.7-9.2 HG3 LYS 26 - HD3 LYS 31 far 0 97 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 98 0 - 6.9-14.3 HB2 LEU 96 - HD3 LYS 95 far 0 97 0 - 7.1-8.9 QB ALA 12 - HD3 LYS 19 far 0 36 0 - 7.4-17.7 HG LEU 96 - HD3 LYS 95 far 0 96 0 - 7.4-9.8 QB ALA 29 - HD3 LYS 36 far 0 77 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 96 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 95 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 74 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 71 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 71 0 - 7.7-26.9 QB ALA 15 - HD3 LYS 95 far 0 97 0 - 7.8-38.1 QB ALA 34 - HD3 LYS 19 far 0 41 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 65 0 - 7.9-10.9 QB ALA 28 - HD3 LYS 31 far 0 98 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 87 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 82 0 - 7.9-11.7 HG2 LYS 86 - HD3 LYS 19 far 0 43 0 - 8.0-37.5 HG LEU 96 - HD2 LYS 95 far 0 98 0 - 8.0-10.0 QB ALA 15 - HD2 LYS 95 far 0 99 0 - 8.0-39.2 QB ALA 34 - HD2 LYS 31 far 0 67 0 - 8.0-10.8 QB ALA 28 - HD2 LYS 24 far 0 82 0 - 8.1-15.1 QB ALA 28 - HD2 LYS 31 far 0 99 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 37 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 65 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 67 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 91 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 96 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 42 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 92 0 - 8.6-22.7 QB ALA 34 - HD2 LYS 24 far 0 49 0 - 8.8-16.8 QB ALA 16 - HD2 LYS 24 far 0 82 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 86 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 93 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 71 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 78 0 - 9.1-12.8 QB ALA 34 - HD2 LYS 19 far 0 43 0 - 9.1-23.8 QB ALA 12 - HD3 LYS 36 far 0 43 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 83 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 97 0 - 9.2-24.7 QB ALA 34 - HD3 LYS 24 far 0 54 0 - 9.2-15.8 HG2 LYS 24 - HD3 LYS 26 far 0 87 0 - 9.3-12.6 HG2 LYS 86 - HD2 LYS 19 far 0 45 0 - 9.3-37.4 HG3 LYS 31 - HD2 LYS 24 far 0 82 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 94 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 64 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 96 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 77 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 88 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 78 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 80 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 98 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 88 0 - 9.9-17.6 Violated in 0 structures by 0.00 A. Peak 3015 from aliabs.peaks (1.39, 1.65, 28.97 ppm; 4.89 A): 14 out of 92 assignments used, quality = 1.00: * HG3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 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 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HD3 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 2.5-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 97 97 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.6-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 84 84 100 100 2.4-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 81 81 100 100 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 79 79 100 100 2.7-2.9 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 2.2-2.7 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 60 60 100 100 2.3-3.0 3.0=100 QB ALA 29 - HD2 LYS 26 poor 20 96 35 58 2.5-6.4 10790/10833=22...(14) QB ALA 28 - HD3 LYS 26 poor 19 94 20 - 4.7-8.5 QB ALA 34 - HD3 LYS 26 poor 16 52 30 - 4.4-7.4 QB ALA 29 - HD3 LYS 26 poor 14 92 30 50 2.3-7.8 10739/10829=16...(14) QB ALA 28 - HD2 LYS 26 poor 13 98 25 52 4.9-7.9 6304/10771=20, ~10771=17...(8) HG3 LYS 31 - HD3 LYS 26 far 9 94 10 - 4.1-12.0 QB ALA 16 - HD2 LYS 31 far 5 99 5 - 4.6-24.2 HG3 LYS 31 - HD2 LYS 26 far 5 98 5 - 5.4-12.2 QB ALA 16 - HD3 LYS 31 far 5 97 5 - 4.2-24.3 HG2 LYS 19 - HD2 LYS 31 far 5 90 5 - 4.9-23.9 HG2 LYS 19 - HD3 LYS 31 far 4 89 5 - 3.6-23.8 QB ALA 15 - HD2 LYS 19 far 4 73 5 - 3.8-10.9 QB ALA 15 - HD3 LYS 19 far 4 71 5 - 3.7-10.4 QB ALA 12 - HD2 LYS 31 far 3 67 5 - 4.5-32.1 QB ALA 12 - HD3 LYS 31 far 3 65 5 - 5.2-32.1 QB ALA 16 - HD2 LYS 19 lone 3 72 55 7 3.5-7.5 7141/6.2=1, 10691/10692=1 QB ALA 16 - HD3 LYS 19 lone 2 70 50 7 4.2-7.8 7141/6.2=1 QB ALA 34 - HD2 LYS 26 lone 1 56 45 4 4.2-7.0 3.6/659=3 QB ALA 12 - HD3 LYS 95 far 0 65 0 - 5.5-31.9 QB ALA 12 - HD2 LYS 95 far 0 68 0 - 5.6-32.8 QB ALA 34 - HD2 LYS 36 far 0 42 0 - 5.8-6.1 QB ALA 29 - HD2 LYS 36 far 0 78 0 - 6.1-9.0 QB ALA 34 - HD3 LYS 36 far 0 43 0 - 6.3-6.6 HG3 LYS 31 - HD2 LYS 36 far 0 81 0 - 6.6-10.5 HB2 LEU 96 - HD2 LYS 95 far 0 100 0 - 6.7-9.2 HG3 LYS 26 - HD3 LYS 31 far 0 98 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 99 0 - 6.9-14.3 HB2 LEU 96 - HD3 LYS 95 far 0 98 0 - 7.1-8.9 QB ALA 12 - HD3 LYS 19 far 0 41 0 - 7.4-17.7 HG LEU 96 - HD3 LYS 95 far 0 93 0 - 7.4-9.8 QB ALA 29 - HD3 LYS 36 far 0 80 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 98 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 97 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 74 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 76 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 72 0 - 7.7-26.9 QB ALA 15 - HD3 LYS 95 far 0 98 0 - 7.8-38.1 QB ALA 34 - HD3 LYS 19 far 0 36 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 57 0 - 7.9-10.9 QB ALA 28 - HD3 LYS 31 far 0 99 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 88 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 83 0 - 7.9-11.7 HG2 LYS 86 - HD3 LYS 19 far 0 38 0 - 8.0-37.5 HG LEU 96 - HD2 LYS 95 far 0 96 0 - 8.0-10.0 QB ALA 15 - HD2 LYS 95 far 0 100 0 - 8.0-39.2 QB ALA 34 - HD2 LYS 31 far 0 59 0 - 8.0-10.8 QB ALA 28 - HD2 LYS 24 far 0 82 0 - 8.1-15.1 QB ALA 28 - HD2 LYS 31 far 0 100 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 43 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 71 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 70 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 93 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 97 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 48 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 94 0 - 8.6-22.7 QB ALA 34 - HD2 LYS 24 far 0 43 0 - 8.8-16.8 QB ALA 16 - HD2 LYS 24 far 0 81 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 87 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 96 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 75 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 80 0 - 9.1-12.8 QB ALA 34 - HD2 LYS 19 far 0 37 0 - 9.1-23.8 QB ALA 12 - HD3 LYS 36 far 0 49 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 86 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 98 0 - 9.2-24.7 QB ALA 34 - HD3 LYS 24 far 0 47 0 - 9.2-15.8 HG2 LYS 24 - HD3 LYS 26 far 0 91 0 - 9.3-12.6 HG2 LYS 86 - HD2 LYS 19 far 0 39 0 - 9.3-37.4 HG3 LYS 31 - HD2 LYS 24 far 0 83 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 97 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 68 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 97 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 80 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 88 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 83 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 82 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 99 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 86 0 - 9.9-17.6 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 4 assignments used, quality = 1.00: * HE2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-2.9 3.0=100 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 4 assignments used, quality = 1.00: * HE3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-2.9 3.0=100 HE2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3022 from aliabs.peaks (4.02, 1.66, 28.97 ppm; 4.03 A): 3 out of 17 assignments used, quality = 1.00: * HA LYS 95 + HD3 LYS 95 OK 88 100 90 98 3.1-4.7 5.0=52, 2.9/7304=26...(25) HA LYS 95 + HD2 LYS 95 OK 87 99 90 98 2.7-4.9 5.0=52, 2.9/7304=26...(24) HA ILE 37 + HD3 LYS 36 OK 86 87 100 98 3.3-4.5 1089/10912=50...(21) HA ILE 37 - HD2 LYS 36 far 0 86 0 - 4.8-5.4 HA LEU 96 - HD3 LYS 95 far 0 60 0 - 6.4-8.0 HA LEU 96 - HD2 LYS 95 far 0 57 0 - 6.4-8.0 HB2 SER 38 - HD3 LYS 36 far 0 65 0 - 7.0-8.4 HA LEU 122 - HD3 LYS 95 far 0 92 0 - 7.7-9.8 HA LEU 122 - HD2 LYS 95 far 0 89 0 - 7.8-10.2 HA GLN 68 - HD3 LYS 36 far 0 63 0 - 7.9-10.6 HB2 SER 38 - HD2 LYS 36 far 0 64 0 - 8.1-9.0 HB3 SER 124 - HD3 LYS 95 far 0 96 0 - 8.1-11.6 HB3 SER 99 - HD3 LYS 95 far 0 65 0 - 8.8-10.3 HB3 SER 124 - HD2 LYS 95 far 0 93 0 - 8.8-12.0 HB3 SER 99 - HD2 LYS 95 far 0 63 0 - 8.9-10.6 HA GLN 68 - HD2 LYS 36 far 0 62 0 - 9.2-11.9 HD3 PRO 81 - HD3 LYS 19 far 0 55 0 - 9.6-38.3 Violated in 0 structures by 0.00 A. Peak 3023 from aliabs.peaks (1.94, 1.66, 28.97 ppm; 4.23 A): 4 out of 34 assignments used, quality = 1.00: * HB2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-4.0 3.7=100 HB3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.4-4.2 3.7=100 HB2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.2-3.5 3.7=100 HB3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.1-4.2 3.7=100 HB2 GLU 30 - HD2 LYS 26 far 10 100 10 - 4.2-9.3 HB2 GLU 30 - HD3 LYS 26 far 10 99 10 - 4.7-9.0 HB2 GLN 27 - HD3 LYS 26 far 3 61 5 - 4.8-9.2 HB2 MET 11 - HD3 LYS 19 far 2 46 5 - 3.4-24.7 HB2 MET 11 - HD2 LYS 19 far 0 50 0 - 4.9-23.8 HB2 GLN 27 - HD2 LYS 26 far 0 61 0 - 5.1-7.9 HB2 MET 11 - HD2 LYS 95 far 0 82 0 - 5.5-43.2 HB2 MET 11 - HD3 LYS 95 far 0 85 0 - 5.7-42.3 HB2 MET 11 - HD2 LYS 31 far 0 82 0 - 5.8-37.1 HB2 GLU 30 - HD2 LYS 31 far 0 99 0 - 6.0-8.2 HB2 MET 11 - HD3 LYS 31 far 0 83 0 - 6.1-37.3 HB3 ARG 90 - HD3 LYS 95 far 0 93 0 - 6.1-10.3 HB2 GLU 30 - HD3 LYS 31 far 0 100 0 - 6.2-8.3 HB2 ARG 90 - HD3 LYS 95 far 0 73 0 - 6.8-10.5 HB3 ARG 90 - HD2 LYS 95 far 0 91 0 - 6.9-9.4 HB3 ARG 90 - HD3 LYS 19 far 0 53 0 - 6.9-39.4 HB3 ARG 90 - HD2 LYS 19 far 0 57 0 - 7.2-39.5 HB2 ARG 90 - HD3 LYS 19 far 0 38 0 - 7.5-40.1 HB2 GLN 27 - HD3 LYS 31 far 0 61 0 - 7.5-13.0 HB2 GLN 27 - HD2 LYS 31 far 0 60 0 - 7.6-13.5 HB2 ARG 90 - HD2 LYS 95 far 0 70 0 - 7.7-10.1 HB3 LYS 86 - HD3 LYS 19 far 0 45 0 - 7.9-39.2 HB2 ARG 90 - HD2 LYS 19 far 0 41 0 - 8.0-40.1 HB3 LYS 86 - HD2 LYS 19 far 0 48 0 - 8.7-39.0 HB2 GLN 27 - HD3 LYS 24 far 0 46 0 - 8.8-14.0 HB2 GLN 27 - HD3 LYS 19 far 0 32 0 - 8.8-22.6 HB3 PRO 81 - HD3 LYS 19 far 0 52 0 - 9.5-40.2 HB2 GLN 27 - HD2 LYS 24 far 0 49 0 - 9.8-14.7 HB3 ARG 90 - HD2 LYS 24 far 0 77 0 - 9.8-28.6 HB3 ARG 90 - HD3 LYS 24 far 0 74 0 - 9.8-26.9 Violated in 0 structures by 0.00 A. Peak 3024 from aliabs.peaks (1.94, 1.66, 28.97 ppm; 4.22 A): 4 out of 37 assignments used, quality = 1.00: * HB3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.4-4.2 3.7=100 HB2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-4.0 3.7=100 HB3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.1-4.2 3.7=100 HB2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.2-3.5 3.7=100 HB2 GLU 30 - HD2 LYS 26 far 10 100 10 - 4.2-9.3 HB2 GLU 30 - HD3 LYS 26 far 10 99 10 - 4.7-9.0 HB2 GLN 27 - HD3 LYS 26 far 3 68 5 - 4.8-9.2 HB2 MET 11 - HD3 LYS 19 far 2 42 5 - 3.4-24.7 HB2 MET 11 - HD2 LYS 19 far 0 45 0 - 4.9-23.8 HB ILE 37 - HD3 LYS 36 far 0 47 0 - 4.9-5.9 HB2 GLN 27 - HD2 LYS 26 far 0 69 0 - 5.1-7.9 HB2 MET 11 - HD2 LYS 95 far 0 75 0 - 5.5-43.2 HB2 MET 11 - HD3 LYS 95 far 0 78 0 - 5.7-42.3 HB2 MET 11 - HD2 LYS 31 far 0 75 0 - 5.8-37.1 HB ILE 37 - HD2 LYS 36 far 0 46 0 - 5.9-6.5 HB2 GLU 30 - HD2 LYS 31 far 0 99 0 - 6.0-8.2 HB2 MET 11 - HD3 LYS 31 far 0 77 0 - 6.1-37.3 HB3 ARG 90 - HD3 LYS 95 far 0 97 0 - 6.1-10.3 HB2 GLU 30 - HD3 LYS 31 far 0 100 0 - 6.2-8.3 HB2 ARG 90 - HD3 LYS 95 far 0 65 0 - 6.8-10.5 HB3 ARG 90 - HD2 LYS 95 far 0 94 0 - 6.9-9.4 HB3 ARG 90 - HD3 LYS 19 far 0 56 0 - 6.9-39.4 HB3 ARG 90 - HD2 LYS 19 far 0 61 0 - 7.2-39.5 HB2 ARG 90 - HD3 LYS 19 far 0 33 0 - 7.5-40.1 HB2 GLN 27 - HD3 LYS 31 far 0 69 0 - 7.5-13.0 HB2 GLN 27 - HD2 LYS 31 far 0 68 0 - 7.6-13.5 HB2 ARG 90 - HD2 LYS 95 far 0 63 0 - 7.7-10.1 HB3 LYS 86 - HD3 LYS 19 far 0 49 0 - 7.9-39.2 HB2 ARG 90 - HD2 LYS 19 far 0 36 0 - 8.0-40.1 HB3 LYS 86 - HD2 LYS 19 far 0 53 0 - 8.7-39.0 HB2 GLN 27 - HD3 LYS 24 far 0 53 0 - 8.8-14.0 HB2 GLN 27 - HD3 LYS 19 far 0 37 0 - 8.8-22.6 HB ILE 37 - HD2 LYS 26 far 0 59 0 - 9.1-13.0 HB3 PRO 81 - HD3 LYS 19 far 0 55 0 - 9.5-40.2 HB2 GLN 27 - HD2 LYS 24 far 0 56 0 - 9.8-14.7 HB3 ARG 90 - HD2 LYS 24 far 0 81 0 - 9.8-28.6 HB3 ARG 90 - HD3 LYS 24 far 0 78 0 - 9.8-26.9 Violated in 0 structures by 0.00 A. Peak 3025 from aliabs.peaks (1.39, 1.66, 28.97 ppm; 4.90 A): 15 out of 92 assignments used, quality = 1.00: * HG2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 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 HG3 LYS 26 + HD2 LYS 26 OK 98 98 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 98 98 100 100 2.6-3.0 2.9=100 HG2 LYS 36 + HD3 LYS 36 OK 85 85 100 100 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 84 84 100 100 2.7-2.9 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 2.4-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 51 51 100 100 2.2-2.7 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 48 48 100 100 2.3-3.0 3.0=100 QB ALA 29 + HD2 LYS 26 OK 20 96 35 61 2.5-6.4 10790/10833=27...(14) QB ALA 28 - HD3 LYS 26 poor 20 99 20 - 4.7-8.5 QB ALA 29 - HD3 LYS 26 poor 15 96 30 51 2.3-7.8 10739/10829=16...(14) QB ALA 28 - HD2 LYS 26 poor 13 99 25 53 4.9-7.9 6304/10771=21, ~10771=17...(9) HG3 LYS 31 - HD3 LYS 26 far 10 99 10 - 4.1-12.0 QB ALA 34 - HD3 LYS 26 poor 9 66 35 41 4.4-7.4 10885/10800=39, 3.6/659=2 QB ALA 16 - HD3 LYS 31 far 5 99 5 - 4.2-24.3 HG3 LYS 31 - HD2 LYS 26 far 5 99 5 - 5.4-12.2 QB ALA 16 - HD2 LYS 31 far 5 98 5 - 4.6-24.2 HG2 LYS 19 - HD3 LYS 31 far 4 85 5 - 3.6-23.8 HG2 LYS 19 - HD2 LYS 31 far 4 84 5 - 4.9-23.9 QB ALA 15 - HD2 LYS 19 far 3 64 5 - 3.8-10.9 QB ALA 15 - HD3 LYS 19 far 3 60 5 - 3.7-10.4 QB ALA 12 - HD3 LYS 31 far 3 59 5 - 5.2-32.1 QB ALA 12 - HD2 LYS 31 far 3 57 5 - 4.5-32.1 QB ALA 16 - HD2 LYS 19 lone 3 66 55 7 3.5-7.5 7141/6.2=1 QB ALA 16 - HD3 LYS 19 lone 2 62 50 7 4.2-7.8 7141/6.2=1 QB ALA 34 - HD2 LYS 26 lone 2 67 45 5 4.2-7.0 3.6/648=3, 908/10837=1 QB ALA 12 - HD3 LYS 95 far 0 60 0 - 5.5-31.9 QB ALA 12 - HD2 LYS 95 far 0 57 0 - 5.6-32.8 QB ALA 34 - HD2 LYS 36 far 0 53 0 - 5.8-6.1 QB ALA 29 - HD2 LYS 36 far 0 82 0 - 6.1-9.0 QB ALA 34 - HD3 LYS 36 far 0 54 0 - 6.3-6.6 HG3 LYS 31 - HD2 LYS 36 far 0 87 0 - 6.6-10.5 HB2 LEU 96 - HD2 LYS 95 far 0 97 0 - 6.7-9.2 HG3 LYS 26 - HD3 LYS 31 far 0 98 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 97 0 - 6.9-14.3 HB2 LEU 96 - HD3 LYS 95 far 0 99 0 - 7.1-8.9 QB ALA 12 - HD3 LYS 19 far 0 30 0 - 7.4-17.7 HG LEU 96 - HD3 LYS 95 far 0 98 0 - 7.4-9.8 QB ALA 29 - HD3 LYS 36 far 0 83 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 95 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 96 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 66 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 67 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 62 0 - 7.7-26.9 QB ALA 15 - HD3 LYS 95 far 0 99 0 - 7.8-38.1 QB ALA 34 - HD3 LYS 19 far 0 35 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 67 0 - 7.9-10.9 QB ALA 28 - HD3 LYS 31 far 0 99 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 83 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 87 0 - 7.9-11.7 HG2 LYS 86 - HD3 LYS 19 far 0 37 0 - 8.0-37.5 HG LEU 96 - HD2 LYS 95 far 0 96 0 - 8.0-10.0 QB ALA 15 - HD2 LYS 95 far 0 97 0 - 8.0-39.2 QB ALA 34 - HD2 LYS 31 far 0 65 0 - 8.0-10.8 QB ALA 28 - HD2 LYS 24 far 0 87 0 - 8.1-15.1 QB ALA 28 - HD2 LYS 31 far 0 98 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 33 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 71 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 59 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 97 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 98 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 46 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 98 0 - 8.6-22.7 QB ALA 34 - HD2 LYS 24 far 0 54 0 - 8.8-16.8 QB ALA 16 - HD2 LYS 24 far 0 87 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 81 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 94 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 76 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 85 0 - 9.1-12.8 QB ALA 34 - HD2 LYS 19 far 0 38 0 - 9.1-23.8 QB ALA 12 - HD3 LYS 36 far 0 47 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 79 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 98 0 - 9.2-24.7 QB ALA 34 - HD3 LYS 24 far 0 51 0 - 9.2-15.8 HG2 LYS 24 - HD3 LYS 26 far 0 94 0 - 9.3-12.6 HG2 LYS 86 - HD2 LYS 19 far 0 40 0 - 9.3-37.4 HG3 LYS 31 - HD2 LYS 24 far 0 87 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 93 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 55 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 98 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 83 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 84 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 84 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 85 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 97 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 84 0 - 9.9-17.6 Violated in 0 structures by 0.00 A. Peak 3026 from aliabs.peaks (1.39, 1.66, 28.97 ppm; 4.89 A): 15 out of 92 assignments used, quality = 1.00: * HG3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.3-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 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 2.6-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 2.9=100 HG2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-2.3 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 86 86 100 100 2.7-2.9 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 2.4-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 56 56 100 100 2.2-2.7 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 52 52 100 100 2.3-3.0 3.0=100 QB ALA 29 + HD2 LYS 26 OK 21 98 35 61 2.5-6.4 10790/10833=27...(14) QB ALA 28 - HD3 LYS 26 poor 20 99 20 - 4.7-8.5 QB ALA 34 - HD3 LYS 26 poor 17 58 30 - 4.4-7.4 QB ALA 29 - HD3 LYS 26 poor 15 98 30 52 2.3-7.8 10739/10829=16...(14) QB ALA 28 - HD2 LYS 26 poor 13 100 25 53 4.9-7.9 6304/10771=21, ~10771=17...(9) HG3 LYS 31 - HD3 LYS 26 far 10 99 10 - 4.1-12.0 HG3 LYS 31 - HD2 LYS 26 far 5 100 5 - 5.4-12.2 QB ALA 16 - HD3 LYS 31 far 5 99 5 - 4.2-24.3 QB ALA 16 - HD2 LYS 31 far 5 97 5 - 4.6-24.2 HG2 LYS 19 - HD3 LYS 31 far 5 90 5 - 3.6-23.8 HG2 LYS 19 - HD2 LYS 31 far 4 89 5 - 4.9-23.9 QB ALA 12 - HD3 LYS 31 far 3 67 5 - 5.2-32.1 QB ALA 15 - HD2 LYS 19 far 3 66 5 - 3.8-10.9 QB ALA 12 - HD2 LYS 31 far 3 65 5 - 4.5-32.1 QB ALA 15 - HD3 LYS 19 far 3 61 5 - 3.7-10.4 QB ALA 16 - HD2 LYS 19 lone 3 65 55 7 3.5-7.5 7141/6.2=1 QB ALA 16 - HD3 LYS 19 lone 2 60 50 6 4.2-7.8 7141/6.2=1 QB ALA 34 - HD2 LYS 26 lone 1 59 45 4 4.2-7.0 3.6/648=3 QB ALA 12 - HD3 LYS 95 far 0 68 0 - 5.5-31.9 QB ALA 12 - HD2 LYS 95 far 0 65 0 - 5.6-32.8 QB ALA 34 - HD2 LYS 36 far 0 46 0 - 5.8-6.1 QB ALA 29 - HD2 LYS 36 far 0 85 0 - 6.1-9.0 QB ALA 34 - HD3 LYS 36 far 0 47 0 - 6.3-6.6 HG3 LYS 31 - HD2 LYS 36 far 0 87 0 - 6.6-10.5 HB2 LEU 96 - HD2 LYS 95 far 0 98 0 - 6.7-9.2 HG3 LYS 26 - HD3 LYS 31 far 0 99 0 - 6.8-14.4 HG3 LYS 26 - HD2 LYS 31 far 0 98 0 - 6.9-14.3 HB2 LEU 96 - HD3 LYS 95 far 0 100 0 - 7.1-8.9 QB ALA 12 - HD3 LYS 19 far 0 35 0 - 7.4-17.7 HG LEU 96 - HD3 LYS 95 far 0 96 0 - 7.4-9.8 QB ALA 29 - HD3 LYS 36 far 0 85 0 - 7.4-10.4 QB ALA 29 - HD2 LYS 31 far 0 97 0 - 7.5-9.5 QB ALA 29 - HD3 LYS 31 far 0 98 0 - 7.5-10.1 HG3 LYS 31 - HD2 LYS 19 far 0 66 0 - 7.5-27.4 HG2 LYS 19 - HD3 LYS 24 far 0 72 0 - 7.5-14.7 HG3 LYS 31 - HD3 LYS 19 far 0 62 0 - 7.7-26.9 QB ALA 15 - HD3 LYS 95 far 0 100 0 - 7.8-38.1 QB ALA 34 - HD3 LYS 19 far 0 30 0 - 7.8-23.6 QB ALA 34 - HD3 LYS 31 far 0 59 0 - 7.9-10.9 QB ALA 28 - HD3 LYS 31 far 0 100 0 - 7.9-10.3 QB ALA 28 - HD3 LYS 24 far 0 84 0 - 7.9-14.7 HG3 LYS 31 - HD3 LYS 36 far 0 88 0 - 7.9-11.7 HG2 LYS 86 - HD3 LYS 19 far 0 32 0 - 8.0-37.5 HG LEU 96 - HD2 LYS 95 far 0 93 0 - 8.0-10.0 QB ALA 15 - HD2 LYS 95 far 0 98 0 - 8.0-39.2 QB ALA 34 - HD2 LYS 31 far 0 57 0 - 8.0-10.8 QB ALA 28 - HD2 LYS 24 far 0 88 0 - 8.1-15.1 QB ALA 28 - HD2 LYS 31 far 0 99 0 - 8.2-10.3 QB ALA 12 - HD2 LYS 19 far 0 38 0 - 8.3-17.7 HG2 LYS 19 - HD2 LYS 24 far 0 76 0 - 8.4-14.5 HG2 LYS 24 - HD2 LYS 19 far 0 62 0 - 8.5-14.3 HG2 LYS 36 - HD3 LYS 26 far 0 98 0 - 8.5-13.9 HG2 LYS 36 - HD2 LYS 26 far 0 99 0 - 8.6-12.2 QB ALA 12 - HD2 LYS 36 far 0 53 0 - 8.6-35.5 QB ALA 15 - HD3 LYS 26 far 0 99 0 - 8.6-22.7 QB ALA 34 - HD2 LYS 24 far 0 47 0 - 8.8-16.8 QB ALA 16 - HD2 LYS 24 far 0 86 0 - 9.0-17.1 HG3 LYS 26 - HD3 LYS 24 far 0 83 0 - 9.0-10.8 HG2 LYS 24 - HD3 LYS 31 far 0 97 0 - 9.0-21.0 HB2 LEU 42 - HD3 LYS 36 far 0 80 0 - 9.1-10.1 HG3 LYS 26 - HD2 LYS 36 far 0 86 0 - 9.1-12.8 QB ALA 34 - HD2 LYS 19 far 0 33 0 - 9.1-23.8 QB ALA 12 - HD3 LYS 36 far 0 54 0 - 9.2-35.7 QB ALA 29 - HD3 LYS 24 far 0 81 0 - 9.2-16.7 QB ALA 15 - HD3 LYS 31 far 0 99 0 - 9.2-24.7 QB ALA 34 - HD3 LYS 24 far 0 44 0 - 9.2-15.8 HG2 LYS 24 - HD3 LYS 26 far 0 96 0 - 9.3-12.6 HG2 LYS 86 - HD2 LYS 19 far 0 35 0 - 9.3-37.4 HG3 LYS 31 - HD2 LYS 24 far 0 88 0 - 9.3-22.5 HG2 LYS 24 - HD2 LYS 31 far 0 96 0 - 9.5-22.2 HG2 LYS 24 - HD3 LYS 19 far 0 58 0 - 9.5-14.5 QB ALA 15 - HD2 LYS 26 far 0 99 0 - 9.5-23.0 QB ALA 29 - HD2 LYS 24 far 0 85 0 - 9.6-17.0 HG3 LYS 31 - HD3 LYS 24 far 0 84 0 - 9.8-21.7 HG2 LYS 19 - HD3 LYS 26 far 0 90 0 - 9.8-19.7 HG3 LYS 26 - HD2 LYS 24 far 0 87 0 - 9.8-11.8 QB ALA 15 - HD2 LYS 31 far 0 98 0 - 9.8-24.9 QB ALA 16 - HD3 LYS 24 far 0 82 0 - 9.9-17.6 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 4 assignments used, quality = 1.00: * HE2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-2.9 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.2-3.0 3.0=100 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 4 assignments used, quality = 1.00: * HE3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-2.9 3.0=100 HE2 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 2.2-3.0 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 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 2 assignments used, quality = 1.00: * H LYS 95 + HE2 LYS 95 OK 100 100 100 100 3.7-5.4 6.7=100 H LYS 95 + HE3 LYS 95 OK 100 100 100 100 4.1-4.9 6.7=100 Violated in 0 structures by 0.00 A. Peak 3033 from aliabs.peaks (4.02, 2.87, 41.80 ppm; 5.55 A increased from 4.68 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 95 + HE2 LYS 95 OK 100 100 100 100 4.6-5.4 6.4=65, 2958/1.8=41...(23) HA LYS 95 + HE3 LYS 95 OK 100 100 100 100 5.1-6.1 6.4=65, 2958/1.8=45...(23) HA LEU 96 - HE2 LYS 95 far 0 60 0 - 6.3-9.1 HA LEU 122 - HE2 LYS 95 far 0 92 0 - 7.4-11.1 HA LEU 96 - HE3 LYS 95 far 0 60 0 - 7.7-8.8 HB3 SER 124 - HE2 LYS 95 far 0 96 0 - 8.0-11.9 HB3 SER 99 - HE2 LYS 95 far 0 65 0 - 8.4-12.0 HA LEU 122 - HE3 LYS 95 far 0 91 0 - 9.1-10.6 HB3 SER 124 - HE3 LYS 95 far 0 95 0 - 9.4-12.1 HB3 SER 99 - HE3 LYS 95 far 0 65 0 - 9.9-12.2 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 2.0-5.4 5.3=85, 3.0/2958=32...(21) HB2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 3.2-4.6 5.3=85, 3.0/3033=29...(21) HB3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.9-4.5 5.3=85, 3.0/2958=32...(19) HB3 LYS 95 + HE3 LYS 95 OK 99 100 100 100 4.1-5.3 5.3=85, 3.0/3033=29...(19) HB2 MET 11 - HE3 LYS 95 far 4 84 5 - 4.2-44.3 HB3 ARG 90 - HE3 LYS 95 far 0 93 0 - 5.8-8.4 HB2 MET 11 - HE2 LYS 95 far 0 85 0 - 5.8-44.5 HB2 ARG 90 - HE3 LYS 95 far 0 73 0 - 6.1-8.6 HB3 ARG 90 - HE2 LYS 95 far 0 93 0 - 7.6-9.9 HB2 ARG 90 - HE2 LYS 95 far 0 73 0 - 7.8-10.1 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: HB2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=85, 3.0/2958=32...(21) * HB3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.9-4.5 5.3=85, 3.0/2958=32...(19) HB3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 4.1-5.3 5.3=85, 3.0/3033=29...(19) HB2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 3.2-4.6 5.3=85, 3.0/3033=29...(21) HB2 MET 11 - HE3 LYS 95 far 4 78 5 - 4.2-44.3 HB3 ARG 90 - HE3 LYS 95 far 0 96 0 - 5.8-8.4 HB2 MET 11 - HE2 LYS 95 far 0 78 0 - 5.8-44.5 HB2 ARG 90 - HE3 LYS 95 far 0 65 0 - 6.1-8.6 HB3 ARG 90 - HE2 LYS 95 far 0 97 0 - 7.6-9.9 HB2 ARG 90 - HE2 LYS 95 far 0 65 0 - 7.8-10.1 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 12 assignments used, quality = 1.00: * HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.0-3.5 3.7=100 HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-3.7 3.7=100 HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.7 3.7=100 HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.9-4.2 3.7=100 QB ALA 12 - HE3 LYS 95 far 0 60 0 - 5.5-33.5 QB ALA 12 - HE2 LYS 95 far 0 60 0 - 6.3-33.7 QB ALA 15 - HE2 LYS 95 far 0 99 0 - 6.4-39.6 HB2 LEU 96 - HE2 LYS 95 far 0 99 0 - 6.7-9.9 QB ALA 15 - HE3 LYS 95 far 0 99 0 - 7.5-39.5 HB2 LEU 96 - HE3 LYS 95 far 0 98 0 - 8.0-9.3 HG LEU 96 - HE2 LYS 95 far 0 98 0 - 8.2-10.8 HG LEU 96 - HE3 LYS 95 far 0 98 0 - 9.4-10.4 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 12 assignments used, quality = 1.00: * HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-3.7 3.7=100 HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.0-3.5 3.7=100 HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.9-4.2 3.7=100 HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.7 3.7=100 QB ALA 12 - HE3 LYS 95 far 0 68 0 - 5.5-33.5 QB ALA 12 - HE2 LYS 95 far 0 68 0 - 6.3-33.7 QB ALA 15 - HE2 LYS 95 far 0 100 0 - 6.4-39.6 HB2 LEU 96 - HE2 LYS 95 far 0 100 0 - 6.7-9.9 QB ALA 15 - HE3 LYS 95 far 0 100 0 - 7.5-39.5 HB2 LEU 96 - HE3 LYS 95 far 0 99 0 - 8.0-9.3 HG LEU 96 - HE2 LYS 95 far 0 96 0 - 8.2-10.8 HG LEU 96 - HE3 LYS 95 far 0 95 0 - 9.4-10.4 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 8 assignments used, quality = 1.00: * HD2 LYS 95 + HE2 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 2.2-3.0 3.0=100 HD3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 95 + HE3 LYS 95 OK 99 99 100 100 2.2-2.9 3.0=100 QB ALA 88 - HE3 LYS 95 far 0 98 0 - 6.4-7.4 HB2 LEU 98 - HE2 LYS 95 far 0 99 0 - 7.0-7.8 QB ALA 88 - HE2 LYS 95 far 0 98 0 - 7.2-8.6 HB2 LEU 98 - HE3 LYS 95 far 0 98 0 - 7.7-8.7 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 8 assignments used, quality = 1.00: * HD3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-2.9 3.0=100 HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 95 + HE3 LYS 95 OK 99 99 100 100 2.2-3.0 3.0=100 QB ALA 88 - HE3 LYS 95 far 0 100 0 - 6.4-7.4 HB2 LEU 98 - HE2 LYS 95 far 0 95 0 - 7.0-7.8 QB ALA 88 - HE2 LYS 95 far 0 100 0 - 7.2-8.6 HB2 LEU 98 - HE3 LYS 95 far 0 94 0 - 7.7-8.7 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): 2 out of 7 assignments used, quality = 1.00: * H LEU 96 + HE2 LYS 95 OK 100 100 100 100 4.7-7.1 3.1/3032=48, 3.6/2958=47...(16) H LEU 96 + HE3 LYS 95 OK 100 100 100 100 5.7-6.8 3.1/3032=48, 3.6/3033=43...(16) H VAL 126 - HE2 LYS 95 far 0 100 0 - 7.6-11.5 H SER 99 - HE2 LYS 95 far 0 90 0 - 7.7-9.6 H VAL 126 - HE3 LYS 95 far 0 100 0 - 9.0-10.8 H SER 99 - HE3 LYS 95 far 0 90 0 - 9.1-10.1 H LEU 123 - HE2 LYS 95 far 0 99 0 - 9.9-13.7 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 2 assignments used, quality = 1.00: * H LYS 95 + HE3 LYS 95 OK 100 100 100 100 4.1-4.9 6.7=100 H LYS 95 + HE2 LYS 95 OK 100 100 100 100 3.7-5.4 6.7=100 Violated in 0 structures by 0.00 A. Peak 3044 from aliabs.peaks (4.02, 2.87, 41.80 ppm; 5.55 A increased from 4.68 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 95 + HE3 LYS 95 OK 100 100 100 100 5.1-6.1 6.4=65, 2958/1.8=45...(23) HA LYS 95 + HE2 LYS 95 OK 100 100 100 100 4.6-5.4 6.4=65, 2958/1.8=41...(23) HA LEU 96 - HE2 LYS 95 far 0 60 0 - 6.3-9.1 HA LEU 122 - HE2 LYS 95 far 0 91 0 - 7.4-11.1 HA LEU 96 - HE3 LYS 95 far 0 60 0 - 7.7-8.8 HB3 SER 124 - HE2 LYS 95 far 0 95 0 - 8.0-11.9 HB3 SER 99 - HE2 LYS 95 far 0 65 0 - 8.4-12.0 HA LEU 122 - HE3 LYS 95 far 0 92 0 - 9.1-10.6 HB3 SER 124 - HE3 LYS 95 far 0 96 0 - 9.4-12.1 HB3 SER 99 - HE3 LYS 95 far 0 65 0 - 9.9-12.2 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 3.2-4.6 5.3=85, 3.0/3044=29...(21) HB2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=85, 3.0/2958=32...(21) HB3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 4.1-5.3 5.3=85, 3.0/3044=29...(19) HB3 LYS 95 + HE2 LYS 95 OK 99 100 100 100 2.9-4.5 5.3=85, 3.0/2958=32...(19) HB2 MET 11 - HE3 LYS 95 far 4 85 5 - 4.2-44.3 HB3 ARG 90 - HE3 LYS 95 far 0 93 0 - 5.8-8.4 HB2 MET 11 - HE2 LYS 95 far 0 84 0 - 5.8-44.5 HB2 ARG 90 - HE3 LYS 95 far 0 73 0 - 6.1-8.6 HB3 ARG 90 - HE2 LYS 95 far 0 93 0 - 7.6-9.9 HB2 ARG 90 - HE2 LYS 95 far 0 73 0 - 7.8-10.1 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: HB2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 3.2-4.6 5.3=85, 3.0/3044=29...(21) * HB3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 4.1-5.3 5.3=85, 3.0/3044=29...(19) HB3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.9-4.5 5.3=85, 3.0/2958=32...(19) HB2 LYS 95 + HE2 LYS 95 OK 99 100 100 100 2.0-5.4 5.3=85, 3.0/2958=32...(21) HB2 MET 11 - HE3 LYS 95 far 4 78 5 - 4.2-44.3 HB3 ARG 90 - HE3 LYS 95 far 0 97 0 - 5.8-8.4 HB2 MET 11 - HE2 LYS 95 far 0 78 0 - 5.8-44.5 HB2 ARG 90 - HE3 LYS 95 far 0 65 0 - 6.1-8.6 HB3 ARG 90 - HE2 LYS 95 far 0 96 0 - 7.6-9.9 HB2 ARG 90 - HE2 LYS 95 far 0 65 0 - 7.8-10.1 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 12 assignments used, quality = 1.00: * HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.7 3.7=100 HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.0-3.5 3.7=100 HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.9-4.2 3.7=100 HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-3.7 3.7=100 QB ALA 12 - HE3 LYS 95 far 0 60 0 - 5.5-33.5 QB ALA 12 - HE2 LYS 95 far 0 60 0 - 6.3-33.7 QB ALA 15 - HE2 LYS 95 far 0 99 0 - 6.4-39.6 HB2 LEU 96 - HE2 LYS 95 far 0 98 0 - 6.7-9.9 QB ALA 15 - HE3 LYS 95 far 0 99 0 - 7.5-39.5 HB2 LEU 96 - HE3 LYS 95 far 0 99 0 - 8.0-9.3 HG LEU 96 - HE2 LYS 95 far 0 98 0 - 8.2-10.8 HG LEU 96 - HE3 LYS 95 far 0 98 0 - 9.4-10.4 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 12 assignments used, quality = 1.00: * HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.9-4.2 3.7=100 HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-3.7 3.7=100 HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.7 3.7=100 HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.0-3.5 3.7=100 QB ALA 12 - HE3 LYS 95 far 0 68 0 - 5.5-33.5 QB ALA 12 - HE2 LYS 95 far 0 68 0 - 6.3-33.7 QB ALA 15 - HE2 LYS 95 far 0 100 0 - 6.4-39.6 HB2 LEU 96 - HE2 LYS 95 far 0 99 0 - 6.7-9.9 QB ALA 15 - HE3 LYS 95 far 0 100 0 - 7.5-39.5 HB2 LEU 96 - HE3 LYS 95 far 0 100 0 - 8.0-9.3 HG LEU 96 - HE2 LYS 95 far 0 95 0 - 8.2-10.8 HG LEU 96 - HE3 LYS 95 far 0 96 0 - 9.4-10.4 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 8 assignments used, quality = 1.00: * HD2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-2.9 3.0=100 HD3 LYS 95 + HE2 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 QB ALA 88 - HE3 LYS 95 far 0 98 0 - 6.4-7.4 HB2 LEU 98 - HE2 LYS 95 far 0 98 0 - 7.0-7.8 QB ALA 88 - HE2 LYS 95 far 0 98 0 - 7.2-8.6 HB2 LEU 98 - HE3 LYS 95 far 0 99 0 - 7.7-8.7 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 8 assignments used, quality = 1.00: * HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-2.9 3.0=100 HD3 LYS 95 + HE2 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 2.2-3.0 3.0=100 HD2 LYS 95 + HE2 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 QB ALA 88 - HE3 LYS 95 far 0 100 0 - 6.4-7.4 HB2 LEU 98 - HE2 LYS 95 far 0 94 0 - 7.0-7.8 QB ALA 88 - HE2 LYS 95 far 0 100 0 - 7.2-8.6 HB2 LEU 98 - HE3 LYS 95 far 0 95 0 - 7.7-8.7 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): 2 out of 7 assignments used, quality = 1.00: * H LEU 96 + HE3 LYS 95 OK 100 100 100 100 5.7-6.8 3.1/3032=48, 3.6/3044=43...(16) H LEU 96 + HE2 LYS 95 OK 100 100 100 100 4.7-7.1 3.1/3032=48, 3.6/2958=47...(16) H VAL 126 - HE2 LYS 95 far 0 100 0 - 7.6-11.5 H SER 99 - HE2 LYS 95 far 0 90 0 - 7.7-9.6 H VAL 126 - HE3 LYS 95 far 0 100 0 - 9.0-10.8 H SER 99 - HE3 LYS 95 far 0 90 0 - 9.1-10.1 H LEU 123 - HE2 LYS 95 far 0 98 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 3054 from aliabs.peaks (8.28, 4.05, 58.64 ppm; 5.27 A): 8 out of 15 assignments used, quality = 1.00: * H LEU 96 + HA LEU 96 OK 100 100 100 100 2.8-2.9 2.9=100 H VAL 126 + HA LEU 96 OK 99 100 100 99 4.4-5.0 4021/11689=64...(20) H SER 99 + HA LEU 96 OK 90 90 100 100 3.6-4.0 3.4/7388=71, 3.7/3208=41...(19) H VAL 126 + HA LEU 122 OK 72 73 100 100 3.1-3.8 10405/3.0=76...(21) H LEU 96 + HA LEU 122 OK 72 73 100 98 4.7-5.5 3.8/3067=33, 4.6/3100=32...(25) 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 97 5.5-5.5 6535/3.6=68...(8) H SER 99 + HA LEU 122 OK 48 60 95 83 4.6-5.9 3.7/3208=38...(9) H LEU 123 - HA LEU 96 far 5 99 5 - 5.4-6.5 H SER 99 - HA GLU 102 far 0 68 0 - 7.3-7.8 H LEU 49 - HA GLU 44 far 0 43 0 - 7.4-7.9 H GLU 40 - HA GLU 44 far 0 64 0 - 7.7-8.3 H LEU 49 - HA LEU 122 far 0 45 0 - 8.7-10.2 H LEU 69 - HA LEU 122 far 0 48 0 - 9.1-10.1 H LEU 69 - HA LEU 96 far 0 76 0 - 9.1-9.7 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): 4 out of 16 assignments used, quality = 1.00: * HB2 LEU 96 + HA LEU 96 OK 100 100 100 100 2.2-2.2 3.0=100 HG LEU 96 + HA LEU 96 OK 89 89 100 100 3.4-3.6 3.7=100 HB2 LEU 96 + HA LEU 122 OK 73 73 100 100 2.8-3.2 3067=48, 3.2/3100=39...(33) HG LEU 96 + HA LEU 122 OK 58 59 100 98 5.0-5.5 2.1/3100=43, 3084=38...(23) HG3 LYS 95 - HA LEU 96 far 0 100 0 - 5.8-6.7 HG2 LYS 95 - HA LEU 96 far 0 99 0 - 6.1-6.6 HB3 LEU 100 - HA LEU 96 far 0 99 0 - 6.8-7.6 HG2 LYS 95 - HA LEU 122 far 0 70 0 - 7.2-8.5 HB3 LEU 100 - HA GLU 102 far 0 79 0 - 7.3-7.4 QB ALA 108 - HA GLU 102 far 0 82 0 - 7.4-8.8 HB2 LEU 42 - HA GLU 44 far 0 68 0 - 7.5-7.7 HB3 LEU 100 - HA LEU 122 far 0 71 0 - 7.5-8.4 HG3 LYS 95 - HA LEU 122 far 0 72 0 - 7.6-8.7 QB ALA 15 - HA LEU 96 far 0 100 0 - 9.2-37.9 QB ALA 109 - HA GLU 102 far 0 79 0 - 9.3-10.3 QB ALA 15 - HA GLU 102 far 0 82 0 - 9.6-37.2 Violated in 0 structures by 0.00 A. Peak 3057 from aliabs.peaks (2.24, 4.05, 58.64 ppm; 4.62 A): 4 out of 18 assignments used, quality = 1.00: * HB3 LEU 96 + HA LEU 96 OK 100 100 100 100 2.8-2.9 3.0=100 HB3 LEU 96 + HA LEU 122 OK 73 73 100 99 4.2-4.8 1.8/3067=36, 3.2/3100=36...(35) HB3 GLU 102 + HA GLU 102 OK 71 71 100 100 2.4-2.9 3.0=100 HB VAL 105 + HA GLU 102 OK 55 55 100 100 4.2-4.5 2.1/10086=94, 3465=65...(12) HG2 GLU 97 - HA LEU 96 far 0 100 0 - 5.3-5.8 HB3 GLU 97 - HA LEU 96 far 0 76 0 - 6.3-6.6 HB3 GLN 127 - HA LEU 122 far 0 54 0 - 7.1-7.7 HB3 GLN 104 - HA GLU 102 far 0 63 0 - 7.1-7.6 HG2 GLU 97 - HA LEU 122 far 0 73 0 - 7.5-8.5 HB3 GLU 97 - HA LEU 122 far 0 48 0 - 8.1-9.2 HB3 GLU 102 - HA LEU 96 far 0 93 0 - 8.1-10.5 HG2 GLN 68 - HA GLU 44 far 0 39 0 - 8.3-9.7 HB3 GLN 127 - HA LEU 96 far 0 83 0 - 8.7-9.7 HB3 GLU 128 - HA LEU 122 far 0 67 0 - 9.0-9.6 HB3 GLU 102 - HA LEU 122 far 0 63 0 - 9.2-11.4 HB3 GLU 128 - HA LEU 96 far 0 97 0 - 9.3-10.0 HB3 GLU 97 - HA GLU 102 far 0 55 0 - 9.5-11.0 HB2 GLN 68 - HA GLU 44 far 0 45 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 3058 from aliabs.peaks (1.40, 4.05, 58.64 ppm; 5.06 A): 4 out of 16 assignments used, quality = 1.00: * HG LEU 96 + HA LEU 96 OK 100 100 100 100 3.4-3.6 3.7=100 HB2 LEU 96 + HA LEU 96 OK 89 89 100 100 2.2-2.2 3.0=100 HG LEU 96 + HA LEU 122 OK 72 73 100 98 5.0-5.5 3084=46, 2.1/3100=43...(24) HB2 LEU 96 + HA LEU 122 OK 59 59 100 99 2.8-3.2 3067=40, 3.2/3100=39...(32) HG3 LYS 95 - HA LEU 96 far 0 96 0 - 5.8-6.7 HG2 LYS 95 - HA LEU 96 far 0 98 0 - 6.1-6.6 HB3 LEU 100 - HA LEU 96 far 0 73 0 - 6.8-7.6 HG2 LYS 95 - HA LEU 122 far 0 69 0 - 7.2-8.5 HB3 LEU 100 - HA GLU 102 far 0 53 0 - 7.3-7.4 QB ALA 108 - HA GLU 102 far 0 65 0 - 7.4-8.8 HB2 LEU 42 - HA GLU 44 far 0 45 0 - 7.5-7.7 HB3 LEU 100 - HA LEU 122 far 0 46 0 - 7.5-8.4 HG3 LYS 95 - HA LEU 122 far 0 66 0 - 7.6-8.7 QB ALA 15 - HA LEU 96 far 0 90 0 - 9.2-37.9 QB ALA 109 - HA GLU 102 far 0 76 0 - 9.3-10.3 QB ALA 15 - HA GLU 102 far 0 68 0 - 9.6-37.2 Violated in 0 structures by 0.00 A. Peak 3059 from aliabs.peaks (0.75, 4.05, 58.64 ppm; 4.55 A): 4 out of 13 assignments used, quality = 1.00: * QD2 LEU 96 + HA LEU 96 OK 100 100 100 100 4.1-4.1 4.0=100 QD1 LEU 96 + HA LEU 96 OK 73 73 100 100 2.8-3.5 4.0=100 QD2 LEU 96 + HA LEU 122 OK 66 73 95 95 4.7-5.3 2.1/3100=41, 3092=32...(18) QD1 LEU 96 + HA LEU 122 OK 42 46 100 90 2.8-3.5 2.1/3084=29, 3.2/3067=28...(19) QD2 LEU 43 - HA GLU 44 far 0 70 0 - 5.2-5.7 QD2 LEU 103 - HA LEU 122 far 0 60 0 - 5.6-7.0 QG1 VAL 93 - HA LEU 96 far 0 100 0 - 5.7-5.9 HG12 ILE 129 - HA LEU 96 far 0 100 0 - 6.7-7.5 HG12 ILE 129 - HA LEU 122 far 0 73 0 - 6.8-7.9 QD2 LEU 103 - HA LEU 96 far 0 90 0 - 6.8-7.8 QD2 LEU 103 - HA GLU 102 far 0 68 0 - 7.0-7.0 QG1 VAL 93 - HA LEU 122 far 0 73 0 - 7.3-7.7 QD1 LEU 96 - HA GLU 102 far 0 53 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 3060 from aliabs.peaks (0.77, 4.05, 58.64 ppm; 4.15 A): 5 out of 27 assignments used, quality = 1.00: * QD1 LEU 96 + HA LEU 96 OK 100 100 100 100 2.8-3.5 4.0=100 QD2 LEU 122 + HA LEU 96 OK 87 95 95 97 1.8-4.8 3901=39, 10337/3.0=30...(28) QD2 LEU 96 + HA LEU 96 OK 73 73 100 100 4.1-4.1 4.0=100 QD1 LEU 96 + HA LEU 122 OK 69 73 100 94 2.8-3.5 3100=43, 2.1/3084=24...(19) QD2 LEU 122 + HA LEU 122 OK 65 65 100 100 1.8-4.0 3.9=100 QD1 LEU 53 - HA LEU 122 poor 18 54 50 68 4.3-7.1 3907/3.6=29, 3900/2.9=18...(10) QD2 LEU 49 - HA LEU 122 poor 17 46 95 39 3.8-5.3 9206/4.9=11...(10) QD2 LEU 96 - HA LEU 122 far 2 46 5 - 4.7-5.3 QD2 LEU 43 - HA GLU 44 far 0 35 0 - 5.2-5.7 QD2 LEU 49 - HA LEU 96 far 0 73 0 - 5.3-5.9 QG1 VAL 93 - HA LEU 96 far 0 76 0 - 5.7-5.9 QD1 LEU 103 - HA GLU 102 far 0 78 0 - 6.1-6.4 QD1 LEU 53 - HA LEU 96 far 0 83 0 - 6.4-8.4 QD2 LEU 122 - HA GLU 102 far 0 73 0 - 6.7-7.9 HG12 ILE 129 - HA LEU 96 far 0 65 0 - 6.7-7.5 HG12 ILE 129 - HA LEU 122 far 0 41 0 - 6.8-7.9 QG1 VAL 63 - HA GLU 102 far 0 77 0 - 6.8-7.7 QD1 LEU 103 - HA LEU 122 far 0 70 0 - 7.1-8.0 QG1 VAL 93 - HA LEU 122 far 0 48 0 - 7.3-7.7 QD1 LEU 103 - HA LEU 96 far 0 99 0 - 8.0-9.0 QD2 LEU 119 - HA LEU 122 far 0 60 0 - 8.1-8.8 QG1 VAL 63 - HA LEU 122 far 0 69 0 - 8.4-9.2 QG1 VAL 63 - HA LEU 96 far 0 98 0 - 8.6-9.3 QD2 LEU 119 - HA GLU 102 far 0 68 0 - 9.3-10.7 QD2 LEU 49 - HA GLU 44 far 0 45 0 - 9.4-10.0 QD1 LEU 96 - HA GLU 102 far 0 82 0 - 9.7-10.4 QD2 LEU 119 - HA LEU 96 far 0 90 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 3061 from aliabs.peaks (8.50, 4.05, 58.64 ppm; 4.85 A): 2 out of 7 assignments used, quality = 1.00: * H GLU 97 + HA LEU 96 OK 100 100 100 100 3.5-3.5 3.6=100 H LEU 100 + HA LEU 96 OK 98 98 100 100 4.2-4.7 7388=96, 3.4/7372=32...(19) H LEU 100 - HA LEU 122 far 7 69 10 - 5.0-6.1 H GLU 97 - HA LEU 122 far 4 73 5 - 5.3-6.3 H LEU 100 - HA GLU 102 far 0 77 0 - 6.6-7.0 H HIS 4 - HA GLU 102 far 0 68 0 - 7.8-55.1 H HIS 4 - HA GLU 44 far 0 58 0 - 9.3-68.3 Violated in 0 structures by 0.00 A. Peak 3062 from aliabs.peaks (8.29, 4.05, 58.64 ppm; 4.89 A): 7 out of 15 assignments used, quality = 1.00: * H SER 99 + HA LEU 96 OK 99 100 100 99 3.6-4.0 3.4/7388=63, 7372=45...(19) H VAL 126 + HA LEU 96 OK 94 96 100 98 4.4-5.0 4021/11689=55...(19) H LEU 96 + HA LEU 96 OK 90 90 100 100 2.8-2.9 2.9=100 H VAL 126 + HA LEU 122 OK 65 66 100 99 3.1-3.8 10405/3.0=63...(21) H LEU 96 + HA LEU 122 OK 58 60 100 97 4.7-5.5 3.8/3067=29, 4.6/3100=29...(24) H LEU 123 + HA LEU 122 OK 46 46 100 100 3.5-3.6 3.6=100 H LEU 43 + HA GLU 44 OK 20 70 30 95 5.5-5.5 6535/3.6=63...(8) H SER 99 - HA LEU 122 far 11 73 15 - 4.6-5.9 H LEU 123 - HA LEU 96 far 4 73 5 - 5.4-6.5 H SER 99 - HA GLU 102 far 0 82 0 - 7.3-7.8 H LEU 49 - HA GLU 44 far 0 67 0 - 7.4-7.9 H GLU 40 - HA GLU 44 far 0 70 0 - 7.7-8.3 H LEU 49 - HA LEU 122 far 0 69 0 - 8.7-10.2 H LEU 69 - HA LEU 122 far 0 71 0 - 9.1-10.1 H LEU 69 - HA LEU 96 far 0 99 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 3063 from aliabs.peaks (3.76, 4.05, 58.64 ppm; 5.28 A): 4 out of 9 assignments used, quality = 1.00: HA GLU 97 + HA LEU 96 OK 100 100 100 100 4.7-4.7 5.0=100 * HB2 SER 99 + HA LEU 96 OK 99 100 100 99 2.9-4.1 4.5/7388=58, 3208=52...(15) HB2 SER 99 + HA LEU 122 OK 73 73 100 99 3.2-5.0 3208=48, 11479/3.9=43...(24) HA LEU 43 + HA GLU 44 OK 58 58 100 100 4.8-4.9 4.9=100 HA GLU 97 - HA LEU 122 far 0 73 0 - 5.9-7.1 HB3 SER 130 - HA GLU 44 far 0 65 0 - 7.2-8.6 HB2 SER 99 - HA GLU 102 far 0 82 0 - 7.4-8.3 HA SER 130 - HA GLU 44 far 0 64 0 - 7.8-8.5 HA GLU 97 - HA GLU 102 far 0 82 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 3064 from aliabs.peaks (4.00, 4.05, 58.64 ppm; 4.74 A): 4 out of 24 assignments used, quality = 1.00: * HB3 SER 99 + HA LEU 96 OK 96 100 100 96 4.3-5.1 1.8/3208=48...(13) HB3 SER 99 + HA LEU 122 OK 72 73 100 99 4.3-5.2 11702/3.8=57...(16) HA LYS 95 + HA LEU 96 OK 65 65 100 99 4.7-4.8 4.9=89, ~9975=35...(19) HA LEU 103 + HA GLU 102 OK 63 66 100 95 4.7-4.8 ~7469=39, ~3347=37...(10) HB3 SER 106 - HA GLU 102 poor 16 65 25 - 4.9-5.7 HB2 SER 124 - HA LEU 122 far 0 70 0 - 5.6-7.0 HB3 SER 124 - HA LEU 122 far 0 62 0 - 6.2-7.1 HA LYS 95 - HA LEU 122 far 0 41 0 - 6.3-7.4 HA LEU 119 - HA LEU 122 far 0 39 0 - 6.3-6.7 HB2 SER 124 - HA LEU 96 far 0 99 0 - 6.6-8.2 HB3 SER 99 - HA GLU 102 far 0 82 0 - 7.1-7.8 HB3 SER 124 - HA LEU 96 far 0 92 0 - 7.6-8.8 HB3 SER 94 - HA LEU 96 far 0 71 0 - 7.6-8.3 HA SER 50 - HA LEU 122 far 0 73 0 - 7.7-9.2 HB3 SER 51 - HA GLU 44 far 0 58 0 - 7.9-9.9 HA LEU 119 - HA LEU 96 far 0 63 0 - 8.1-8.8 HA GLN 127 - HA LEU 122 far 0 37 0 - 8.3-9.0 HA GLN 127 - HA GLU 44 far 0 35 0 - 9.1-10.0 HA LEU 103 - HA LEU 122 far 0 59 0 - 9.3-10.4 HA GLU 91 - HA LEU 96 far 0 73 0 - 9.5-10.3 HA GLN 127 - HA LEU 96 far 0 60 0 - 9.6-10.3 HB2 SER 38 - HA GLU 44 far 0 69 0 - 9.8-10.4 HA LEU 119 - HA GLU 102 far 0 44 0 - 10.0-11.3 HA SER 60 - HA GLU 102 far 0 74 0 - 10.0-11.4 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 3.7-4.2 11806/3.2=87...(33) Violated in 0 structures by 0.00 A. Peak 3066 from aliabs.peaks (8.28, 1.38, 40.82 ppm; 4.63 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 96 + HB2 LEU 96 OK 100 100 100 100 3.1-3.4 3.8=100 H VAL 126 + HB2 LEU 96 OK 98 100 100 98 2.8-3.6 3091/3.2=36, ~11452=33...(18) H LEU 123 - HB2 LEU 96 far 0 99 0 - 5.6-6.4 H SER 99 - HB2 LEU 96 far 0 90 0 - 5.6-6.1 H LEU 69 - HB2 LEU 96 far 0 76 0 - 7.8-8.2 H LEU 49 - HB2 LEU 96 far 0 71 0 - 9.0-9.5 H ASP 131 - HB2 LEU 96 far 0 100 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 3067 from aliabs.peaks (4.05, 1.38, 40.82 ppm; 4.77 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 96 + HB2 LEU 96 OK 100 100 100 100 2.2-2.2 3.0=100 HA LEU 122 + HB2 LEU 96 OK 92 93 100 99 2.8-3.2 3100/3.2=37...(33) HA ALA 92 - HB2 LEU 96 far 0 100 0 - 6.1-7.0 HA LYS 95 - HB2 LEU 96 far 0 60 0 - 6.2-6.4 HA LEU 119 - HB2 LEU 96 far 0 63 0 - 8.7-9.5 HB THR 65 - HB2 LEU 96 far 0 97 0 - 8.9-9.7 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): 1 out of 6 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 far 5 100 5 - 5.3-6.1 HB3 GLU 97 - HB2 LEU 96 far 0 76 0 - 6.8-7.4 HB3 GLN 127 - HB2 LEU 96 far 0 83 0 - 7.4-8.2 HB3 GLU 128 - HB2 LEU 96 far 0 97 0 - 8.3-8.9 HG2 GLN 68 - HB2 LEU 96 far 0 65 0 - 9.1-10.5 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): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 96 + HB2 LEU 96 OK 100 100 100 100 2.5-2.9 3.2=100 QD1 LEU 96 + HB2 LEU 96 OK 73 73 100 100 1.9-2.1 3.2=100 HG12 ILE 129 - HB2 LEU 96 far 0 100 0 - 4.8-5.9 QG1 VAL 93 - HB2 LEU 96 far 0 100 0 - 4.9-5.3 QD2 LEU 103 - HB2 LEU 96 far 0 90 0 - 7.4-8.3 QD2 LEU 43 - HB2 LEU 96 far 0 100 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 3072 from aliabs.peaks (0.77, 1.38, 40.82 ppm; 4.20 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 96 + HB2 LEU 96 OK 100 100 100 100 1.9-2.1 3.2=100 QD2 LEU 122 + HB2 LEU 96 OK 79 95 85 99 2.7-5.5 10337=43, 3901/3.0=28...(43) QD2 LEU 96 + HB2 LEU 96 OK 73 73 100 100 2.5-2.9 3.2=100 QD2 LEU 49 - HB2 LEU 96 lone 12 73 90 17 4.4-4.8 10407/11690=6...(5) HG12 ILE 129 - HB2 LEU 96 far 3 65 5 - 4.8-5.9 QG1 VAL 93 - HB2 LEU 96 far 0 76 0 - 4.9-5.3 QD1 LEU 53 - HB2 LEU 96 far 0 83 0 - 5.9-7.9 QG1 VAL 63 - HB2 LEU 96 far 0 98 0 - 8.9-9.6 QD1 LEU 103 - HB2 LEU 96 far 0 99 0 - 9.1-9.9 QD2 LEU 43 - HB2 LEU 96 far 0 60 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 3073 from aliabs.peaks (8.50, 1.38, 40.82 ppm; 5.16 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 97 + HB2 LEU 96 OK 100 100 100 100 4.2-4.3 4.4=100 H LEU 100 - HB2 LEU 96 far 5 98 5 - 5.7-6.3 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 2.1-2.5 2910=100, 3065/1.8=99...(34) Violated in 0 structures by 0.00 A. Peak 3075 from aliabs.peaks (8.28, 2.24, 40.82 ppm; 5.22 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.0-2.1 3.8=100 H VAL 126 + HB3 LEU 96 OK 100 100 100 100 4.1-4.8 4.7/11655=59...(22) H SER 99 - HB3 LEU 96 far 0 90 0 - 5.9-6.3 H LEU 123 - HB3 LEU 96 far 0 99 0 - 7.2-8.1 H LEU 69 - HB3 LEU 96 far 0 76 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 3076 from aliabs.peaks (4.05, 2.24, 40.82 ppm; 5.74 A): 4 out of 6 assignments used, quality = 1.00: * HA LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.8-2.9 3.0=100 HA ALA 92 + HB3 LEU 96 OK 100 100 100 100 5.1-5.8 9942/10492=71...(18) HA LEU 122 + HB3 LEU 96 OK 93 93 100 100 4.2-4.8 3067/1.8=47, 3100/3.2=42...(36) HA LYS 95 + HB3 LEU 96 OK 59 60 100 98 5.5-5.5 2.9/9975=78...(23) HB2 SER 74 - HB3 LEU 96 far 0 100 0 - 8.7-10.8 HB3 SER 74 - HB3 LEU 96 far 0 99 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 3077 from aliabs.peaks (1.38, 2.24, 40.82 ppm; 4.57 A): 2 out of 7 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 2.6-2.8 3.0=100 HG3 LYS 95 - HB3 LEU 96 far 0 100 0 - 5.2-7.1 HG2 LYS 95 - HB3 LEU 96 far 0 99 0 - 5.5-7.2 QB ALA 15 - HB3 LEU 96 far 0 100 0 - 7.8-36.7 HB3 LEU 100 - HB3 LEU 96 far 0 99 0 - 8.1-8.9 QB ALA 12 - HB3 LEU 96 far 0 81 0 - 9.8-31.5 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): 2 out of 6 assignments used, quality = 1.00: * HG LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.6-2.8 3.0=100 HB2 LEU 96 + HB3 LEU 96 OK 89 89 100 100 1.8-1.8 1.8=100 HG2 LYS 95 - HB3 LEU 96 far 5 98 5 - 5.5-7.2 HG3 LYS 95 - HB3 LEU 96 far 5 96 5 - 5.2-7.1 QB ALA 15 - HB3 LEU 96 far 0 90 0 - 7.8-36.7 HB3 LEU 100 - HB3 LEU 96 far 0 73 0 - 8.1-8.9 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 6 assignments used, quality = 1.00: * QD2 LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.0-2.1 3.2=100 QG1 VAL 93 + HB3 LEU 96 OK 100 100 100 100 3.6-4.0 9974/3.0=75, 9973=74...(27) QD1 LEU 96 + HB3 LEU 96 OK 73 73 100 100 2.9-3.2 3.2=100 HG12 ILE 129 + HB3 LEU 96 OK 65 100 65 100 4.7-5.4 2.1/10492=88...(23) QD2 LEU 103 - HB3 LEU 96 far 0 90 0 - 8.6-9.5 QD2 LEU 43 - HB3 LEU 96 far 0 100 0 - 9.9-10.8 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 9 assignments used, quality = 1.00: * QD1 LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.9-3.2 3.2=100 QG1 VAL 93 + HB3 LEU 96 OK 76 76 100 100 3.6-4.0 2.1/9971=59, 9974/3.0=50...(27) QD2 LEU 122 + HB3 LEU 96 OK 75 95 80 100 3.8-6.6 10337/1.8=41...(44) QD2 LEU 96 + HB3 LEU 96 OK 73 73 100 100 2.0-2.1 3.2=100 HG12 ILE 129 + HB3 LEU 96 OK 59 65 90 100 4.7-5.4 2.1/10492=90...(23) QD2 LEU 49 - HB3 LEU 96 far 0 73 0 - 5.6-6.1 QD1 LEU 53 - HB3 LEU 96 far 0 83 0 - 7.4-9.3 QG1 VAL 63 - HB3 LEU 96 far 0 98 0 - 9.7-10.3 QD2 LEU 43 - HB3 LEU 96 far 0 60 0 - 9.9-10.8 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 2 assignments used, quality = 1.00: * H GLU 97 + HB3 LEU 96 OK 100 100 100 100 3.2-3.5 4.4=100 H LEU 100 + HB3 LEU 96 OK 98 98 100 100 6.3-6.8 7388/3.0=92, 3106/3.2=47...(21) 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 6 assignments used, quality = 1.00: * H LEU 96 + HG LEU 96 OK 100 100 100 100 3.4-3.9 5.0=100 H SER 99 + HG LEU 96 OK 75 90 85 98 5.1-6.1 3.8/10018=44...(20) H VAL 126 + HG LEU 96 OK 30 100 30 100 5.7-6.3 ~11452=57, ~11807=57...(19) H LEU 69 - HG LEU 96 far 0 76 0 - 6.3-6.9 H LEU 123 - HG LEU 96 far 0 99 0 - 7.9-8.7 H LEU 49 - HG LEU 96 far 0 71 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 3084 from aliabs.peaks (4.05, 1.40, 27.00 ppm; 5.14 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 96 + HG LEU 96 OK 100 100 100 100 3.4-3.6 3.7=100 HA LEU 122 + HG LEU 96 OK 92 93 100 98 5.0-5.5 3100/2.1=43, 3067/3.0=35...(25) HA LYS 95 - HG LEU 96 far 0 60 0 - 6.2-6.6 HA ALA 92 - HG LEU 96 far 0 100 0 - 7.5-8.3 HB2 SER 74 - HG LEU 96 far 0 100 0 - 7.8-9.6 HB3 SER 74 - HG LEU 96 far 0 99 0 - 8.4-10.3 HB THR 65 - HG LEU 96 far 0 97 0 - 9.1-9.8 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 6 assignments used, quality = 1.00: * HB3 LEU 96 + HG LEU 96 OK 100 100 100 100 2.6-2.8 3.0=100 HG2 GLU 97 + HG LEU 96 OK 100 100 100 100 2.9-4.1 1.8/10010=72...(25) HB3 GLU 97 + HG LEU 96 OK 76 76 100 100 4.0-5.1 1.8/11363=71...(32) HG2 GLN 68 - HG LEU 96 far 0 65 0 - 8.0-9.5 HB3 GLU 102 - HG LEU 96 far 0 93 0 - 9.4-12.3 HB2 GLN 68 - HG LEU 96 far 0 73 0 - 9.5-10.2 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 5 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 3.4-3.9 9974=40, 9973/3.0=28...(35) 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 - 5.7-7.6 QD2 LEU 103 - HG LEU 96 far 0 90 0 - 7.4-8.4 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 9 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 3.4-3.9 9974=35, 11849/10010=27...(35) 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 68 95 80 90 3.4-6.0 10337=30, 10337/3.0=24...(30) QD2 LEU 49 - HG LEU 96 far 0 73 0 - 4.9-5.4 HG12 ILE 129 - HG LEU 96 far 0 65 0 - 5.7-7.6 QD1 LEU 53 - HG LEU 96 far 0 83 0 - 7.4-9.3 QG1 VAL 63 - HG LEU 96 far 0 98 0 - 7.7-8.4 QD1 LEU 103 - HG LEU 96 far 0 99 0 - 9.3-10.2 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 2.5-3.0 3098/2.1=100...(28) H LEU 100 + HG LEU 96 OK 98 98 100 100 4.7-5.5 7388/3.7=79...(20) Violated in 0 structures by 0.00 A. Peak 3091 from aliabs.peaks (8.28, 0.75, 26.12 ppm; 3.92 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 96 + QD2 LEU 96 OK 99 100 100 99 3.2-3.9 7330/3098=53...(25) H VAL 126 + QD2 LEU 96 OK 92 100 95 97 4.0-5.0 2.9/11807=46...(23) H LEU 69 - QD2 LEU 96 poor 15 76 20 - 4.4-5.3 H SER 99 - QD2 LEU 96 far 0 90 0 - 6.0-6.9 H LEU 123 - QD2 LEU 96 far 0 99 0 - 7.0-7.9 H LEU 49 - QD2 LEU 96 far 0 71 0 - 7.0-8.6 H ASP 131 - QD2 LEU 96 far 0 100 0 - 7.9-8.9 H LEU 43 - QD2 LEU 96 far 0 96 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 3092 from aliabs.peaks (4.05, 0.75, 26.12 ppm; 4.30 A increased from 3.62 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 96 + QD2 LEU 96 OK 100 100 100 100 4.1-4.1 4.0=100 HA LEU 122 + QD2 LEU 96 OK 48 93 55 93 4.7-5.3 3100/2.1=40, 3084/2.1=26...(18) HA ALA 92 - QD2 LEU 96 far 0 100 0 - 5.7-6.5 HA LYS 95 - QD2 LEU 96 far 0 60 0 - 5.9-6.7 HB2 SER 74 - QD2 LEU 96 far 0 100 0 - 6.1-7.6 HB3 SER 74 - QD2 LEU 96 far 0 99 0 - 6.6-8.1 HB THR 65 - QD2 LEU 96 far 0 97 0 - 7.2-8.6 HA LEU 119 - QD2 LEU 96 far 0 63 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 3093 from aliabs.peaks (1.38, 0.75, 26.12 ppm; 3.61 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 96 + QD2 LEU 96 OK 100 100 100 100 2.5-2.9 3.2=100 HG LEU 96 + QD2 LEU 96 OK 89 89 100 100 2.1-2.1 2.1=100 QB ALA 15 - QD2 LEU 96 far 0 100 0 - 5.5-29.5 HG3 LYS 95 - QD2 LEU 96 far 0 100 0 - 6.3-8.1 HG2 LYS 95 - QD2 LEU 96 far 0 99 0 - 6.5-8.2 HB3 LEU 100 - QD2 LEU 96 far 0 99 0 - 6.5-7.3 HB2 LEU 42 - QD2 LEU 96 far 0 99 0 - 8.2-8.8 QB ALA 16 - QD2 LEU 96 far 0 97 0 - 8.4-32.0 QB ALA 12 - QD2 LEU 96 far 0 81 0 - 9.4-25.5 Violated in 0 structures by 0.00 A. Peak 3094 from aliabs.peaks (2.24, 0.75, 26.12 ppm; 3.75 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 96 + QD2 LEU 96 OK 100 100 100 100 2.0-2.1 3.2=100 HG2 GLU 97 + QD2 LEU 96 OK 85 100 85 99 2.2-4.4 3133/3098=40...(27) HB3 GLU 97 - QD2 LEU 96 far 4 76 5 - 4.1-5.8 HG2 GLN 68 - QD2 LEU 96 far 0 65 0 - 5.7-6.7 HB2 GLN 68 - QD2 LEU 96 far 0 73 0 - 7.4-8.2 HB3 GLN 127 - QD2 LEU 96 far 0 83 0 - 7.4-8.5 HB3 GLU 128 - QD2 LEU 96 far 0 97 0 - 7.5-8.4 HB3 GLU 102 - QD2 LEU 96 far 0 93 0 - 9.7-12.2 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 9 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 2.5-2.9 3.2=100 QB ALA 15 - QD2 LEU 96 far 0 90 0 - 5.5-29.5 HG3 LYS 95 - QD2 LEU 96 far 0 96 0 - 6.3-8.1 HG2 LYS 95 - QD2 LEU 96 far 0 98 0 - 6.5-8.2 HB3 LEU 100 - QD2 LEU 96 far 0 73 0 - 6.5-7.3 HB2 LEU 42 - QD2 LEU 96 far 0 73 0 - 8.2-8.8 QB ALA 16 - QD2 LEU 96 far 0 99 0 - 8.4-32.0 HG2 LYS 86 - QD2 LEU 96 far 0 90 0 - 9.9-10.9 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): 1 out of 3 assignments used, quality = 1.00: * H GLU 97 + QD2 LEU 96 OK 100 100 100 100 2.9-4.0 2.8/11809=50...(20) H LEU 100 - QD2 LEU 96 far 0 98 0 - 5.9-6.5 H VAL 132 - QD2 LEU 96 far 0 73 0 - 8.4-9.1 Violated in 3 structures by 0.00 A. Peak 3099 from aliabs.peaks (8.28, 0.77, 23.66 ppm; 4.03 A increased from 3.80 A): 3 out of 8 assignments used, quality = 1.00: H VAL 126 + QD1 LEU 96 OK 99 100 100 99 3.6-3.9 2.9/11452=50...(23) * H LEU 96 + QD1 LEU 96 OK 99 100 100 99 4.3-4.4 4.6=66, 3083/2.1=54...(16) H LEU 69 + QD1 LEU 96 OK 57 76 85 88 4.2-4.6 ~11811=32, 2.9/11710=26...(13) H SER 99 - QD1 LEU 96 far 0 90 0 - 4.9-5.6 H LEU 123 - QD1 LEU 96 far 0 99 0 - 5.1-6.0 H LEU 49 - QD1 LEU 96 far 0 71 0 - 6.3-6.7 H ASP 131 - QD1 LEU 96 far 0 100 0 - 9.3-9.9 H LEU 43 - QD1 LEU 96 far 0 96 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 3100 from aliabs.peaks (4.05, 0.77, 23.66 ppm; 3.32 A): 2 out of 9 assignments used, quality = 0.99: * HA LEU 96 + QD1 LEU 96 OK 95 100 100 95 2.8-3.5 4.0=59, 2.9/3099=21...(24) HA LEU 122 + QD1 LEU 96 OK 71 93 100 76 2.8-3.5 3067/3.2=14, 3092/2.1=14...(19) HB THR 65 - QD1 LEU 96 far 0 97 0 - 5.7-6.3 HA LYS 95 - QD1 LEU 96 far 0 60 0 - 6.6-7.0 HA LEU 119 - QD1 LEU 96 far 0 63 0 - 6.9-8.0 HA ALA 92 - QD1 LEU 96 far 0 100 0 - 7.2-7.9 HB2 SER 74 - QD1 LEU 96 far 0 100 0 - 7.9-9.4 HB3 SER 74 - QD1 LEU 96 far 0 99 0 - 8.2-10.0 HA GLU 102 - QD1 LEU 96 far 0 100 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 3101 from aliabs.peaks (1.38, 0.77, 23.66 ppm; 3.43 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 96 + QD1 LEU 96 OK 100 100 100 100 1.9-2.1 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 far 0 99 0 - 4.5-5.2 QB ALA 15 - QD1 LEU 96 far 0 100 0 - 6.7-30.2 HG3 LYS 95 - QD1 LEU 96 far 0 100 0 - 7.2-8.4 HG2 LYS 95 - QD1 LEU 96 far 0 99 0 - 7.5-8.4 HB2 LEU 42 - QD1 LEU 96 far 0 99 0 - 9.4-10.3 QB ALA 16 - QD1 LEU 96 far 0 97 0 - 9.4-33.0 Violated in 0 structures by 0.00 A. Peak 3102 from aliabs.peaks (2.24, 0.77, 23.66 ppm; 3.77 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LEU 96 + QD1 LEU 96 OK 100 100 100 100 2.9-3.2 3.2=100 HG2 GLU 97 - QD1 LEU 96 far 0 100 0 - 4.4-5.4 HB3 GLU 97 - QD1 LEU 96 far 0 76 0 - 4.9-5.8 HG2 GLN 68 - QD1 LEU 96 far 0 65 0 - 5.5-6.9 HB2 GLN 68 - QD1 LEU 96 far 0 73 0 - 7.0-7.9 HB3 GLN 127 - QD1 LEU 96 far 0 83 0 - 7.3-7.7 HB3 GLU 102 - QD1 LEU 96 far 0 93 0 - 8.1-10.2 HB3 GLN 104 - QD1 LEU 96 far 0 85 0 - 8.3-9.3 HB3 GLU 128 - QD1 LEU 96 far 0 97 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 3103 from aliabs.peaks (1.40, 0.77, 23.66 ppm; 3.43 A): 2 out of 8 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 1.9-2.1 3.2=100 HB3 LEU 100 - QD1 LEU 96 far 0 73 0 - 4.5-5.2 QB ALA 15 - QD1 LEU 96 far 0 90 0 - 6.7-30.2 HG3 LYS 95 - QD1 LEU 96 far 0 96 0 - 7.2-8.4 HG2 LYS 95 - QD1 LEU 96 far 0 98 0 - 7.5-8.4 HB2 LEU 42 - QD1 LEU 96 far 0 73 0 - 9.4-10.3 QB ALA 16 - QD1 LEU 96 far 0 99 0 - 9.4-33.0 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; 4.28 A increased from 4.03 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 97 + QD1 LEU 96 OK 100 100 100 100 3.8-4.2 3098/2.1=79...(20) H LEU 100 + QD1 LEU 96 OK 90 98 100 92 4.0-4.7 7388/4.0=42...(19) Violated in 0 structures by 0.00 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 2.9-2.9 2.8=100 H LEU 100 + HA GLU 97 OK 98 98 100 100 3.1-3.8 7397/3115=63...(20) 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 2.3-2.9 3.0=100 HB3 LEU 69 - HA GLU 97 far 0 73 0 - 6.7-7.4 HB VAL 126 - HA GLU 97 far 0 71 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 3110 from aliabs.peaks (2.22, 3.76, 59.92 ppm; 3.90 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLU 97 + HA GLU 97 OK 100 100 100 100 2.2-2.7 3.0=100 HG2 GLU 97 + HA GLU 97 OK 76 76 100 100 3.0-3.8 3.8=100 HB3 LEU 96 - HA GLU 97 far 0 76 0 - 5.0-5.3 HB2 GLN 101 - HA GLU 97 far 0 93 0 - 6.2-7.5 HB3 GLU 102 - HA GLU 97 far 0 98 0 - 7.6-10.3 HB3 GLN 104 - HA GLU 97 far 0 100 0 - 9.1-10.1 HG2 GLN 68 - HA GLU 97 far 0 100 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 3111 from aliabs.peaks (2.24, 3.76, 59.92 ppm; 4.08 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLU 97 + HA GLU 97 OK 100 100 100 100 3.0-3.8 3.8=100 HB3 GLU 97 + HA GLU 97 OK 76 76 100 100 2.2-2.7 3.0=100 HB3 LEU 96 - HA GLU 97 far 0 100 0 - 5.0-5.3 HB3 GLU 102 - HA GLU 97 far 0 93 0 - 7.6-10.3 HB3 GLN 104 - HA GLU 97 far 0 85 0 - 9.1-10.1 HG2 GLN 68 - HA GLU 97 far 0 65 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 3112 from aliabs.peaks (2.40, 3.76, 59.92 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 97 + HA GLU 97 OK 100 100 100 100 3.6-3.7 3.8=100 HG2 GLN 101 - HA GLU 97 far 3 68 5 - 4.2-8.2 HG2 GLN 104 - HA GLU 97 far 0 81 0 - 7.4-8.6 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 3.1-3.8 7397/3115=65...(20) H GLU 97 + HA GLU 97 OK 98 98 100 100 2.9-2.9 2.8=100 H LEU 70 - HA GLU 97 far 0 76 0 - 5.8-6.2 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 3 assignments used, quality = 0.98: * HB2 LEU 100 + HA GLU 97 OK 98 100 100 98 2.1-2.7 3.2/10036=56...(19) HB3 LEU 103 - HA GLU 97 far 0 60 0 - 7.1-7.9 HB VAL 93 - HA GLU 97 far 0 99 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 3116 from aliabs.peaks (1.37, 3.76, 59.92 ppm; 4.39 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 100 + HA GLU 97 OK 100 100 100 100 3.7-4.3 1.8/3115=88...(23) HG LEU 96 + HA GLU 97 OK 73 73 100 100 2.8-3.1 2.1/11809=64...(32) HB2 LEU 96 - HA GLU 97 far 0 99 0 - 5.3-5.5 QB ALA 15 - HA GLU 97 far 0 99 0 - 6.3-34.4 HG3 LYS 95 - HA GLU 97 far 0 96 0 - 8.3-9.3 HG2 LYS 95 - HA GLU 97 far 0 92 0 - 8.5-9.7 QB ALA 16 - HA GLU 97 far 0 87 0 - 8.5-37.7 Violated in 0 structures by 0.00 A. Peak 3117 from aliabs.peaks (4.24, 2.13, 28.66 ppm; 4.78 A increased from 3.83 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 94 + HB2 GLU 97 OK 100 100 100 100 3.9-4.6 2936=100, 11457/2.9=82...(11) HA SER 99 - HB2 GLU 97 far 0 93 0 - 7.4-8.7 Violated in 0 structures by 0.00 A. Peak 3118 from aliabs.peaks (8.50, 2.13, 28.66 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 97 + HB2 GLU 97 OK 100 100 100 100 3.0-3.2 4.0=100 H LEU 100 - HB2 GLU 97 far 0 98 0 - 5.2-5.8 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 2.3-2.9 3.0=100 HB2 SER 99 - HB2 GLU 97 far 0 100 0 - 6.9-7.8 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 6 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 71 76 100 94 2.2-3.0 2.9=85, 4.6/7345=18...(10) HB3 LEU 96 - HB2 GLU 97 far 0 76 0 - 5.3-6.5 HB2 GLN 101 - HB2 GLU 97 far 0 93 0 - 6.6-8.7 HB3 GLU 102 - HB2 GLU 97 far 0 98 0 - 8.1-12.0 HG2 GLN 68 - HB2 GLU 97 far 0 100 0 - 9.5-12.5 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 5 assignments used, quality = 1.00: * HG2 GLU 97 + HB2 GLU 97 OK 100 100 100 100 2.2-3.0 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 0 100 0 - 5.3-6.5 HB3 GLU 102 - HB2 GLU 97 far 0 93 0 - 8.1-12.0 HG2 GLN 68 - HB2 GLU 97 far 0 65 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 3123 from aliabs.peaks (2.40, 2.13, 28.66 ppm; 3.35 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 97 + HB2 GLU 97 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 GLN 101 - HB2 GLU 97 far 0 68 0 - 5.0-9.4 HG2 GLN 104 - HB2 GLU 97 far 0 81 0 - 9.0-10.2 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 2.8-4.2 7358=100, 7359/1.8=86...(15) Violated in 0 structures by 0.00 A. Peak 3125 from aliabs.peaks (4.24, 2.22, 28.66 ppm; 4.67 A increased from 4.15 A): 3 out of 5 assignments used, quality = 1.00: * HA SER 94 + HB3 GLU 97 OK 100 100 100 100 4.5-4.9 11457/2.9=79...(10) HA SER 99 + HB3 GLU 102 OK 83 83 100 100 2.5-4.6 3207=87, 3206/1.8=73...(11) HA SER 124 + HB3 GLU 128 OK 31 84 45 82 5.1-6.1 7838/3.6=45, 4.9/3987=45...(6) HA ARG 84 - HB2 GLN 82 poor 16 45 35 - 5.1-6.0 HA SER 99 - HB3 GLU 97 far 0 93 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 3126 from aliabs.peaks (8.50, 2.22, 28.66 ppm; 4.07 A): 1 out of 7 assignments used, quality = 1.00: * H GLU 97 + HB3 GLU 97 OK 100 100 100 100 3.4-3.5 4.0=100 H LEU 100 - HB3 GLU 102 far 0 89 0 - 4.8-7.1 H LEU 100 - HB3 GLU 97 far 0 98 0 - 4.9-5.7 H VAL 132 - HB3 GLU 128 far 0 56 0 - 5.3-6.1 H HIS 4 - HB3 GLU 102 far 0 80 0 - 7.3-56.7 H GLU 97 - HB3 GLU 102 far 0 93 0 - 8.5-11.1 H VAL 132 - HB2 GLN 82 far 0 29 0 - 8.9-11.2 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 2.2-2.7 3.0=100 HA THR 83 - HB2 GLN 82 far 0 33 0 - 4.8-5.1 HB2 SER 99 - HB3 GLU 102 far 0 93 0 - 5.0-7.4 HA VAL 133 - HB2 GLN 82 far 0 46 0 - 5.6-8.6 HB2 SER 99 - HB3 GLU 97 far 0 100 0 - 6.7-8.5 HB3 SER 130 - HB3 GLU 128 far 0 80 0 - 7.0-7.7 HA GLU 97 - HB3 GLU 102 far 0 93 0 - 7.6-10.3 HA SER 130 - HB3 GLU 128 far 0 78 0 - 8.3-8.5 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 5 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 0 48 0 - 6.7-7.1 HB3 LEU 69 - HB3 GLU 97 far 0 73 0 - 7.4-9.2 HB VAL 126 - HB3 GLU 128 far 0 53 0 - 7.8-8.4 HB2 GLU 97 - HB3 GLU 102 far 0 93 0 - 8.1-12.0 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): 2 out of 7 assignments used, quality = 1.00: * HG3 GLU 97 + HB3 GLU 97 OK 100 100 100 100 2.6-3.0 2.9=100 HG3 GLU 128 + HB3 GLU 128 OK 62 62 100 100 2.7-3.0 3.0=100 HG2 GLN 101 - HB3 GLU 102 poor 18 59 30 - 3.8-6.3 HG2 GLN 101 - HB3 GLU 97 far 3 68 5 - 3.6-8.7 HG2 GLN 104 - HB3 GLU 102 far 0 70 0 - 6.2-7.6 HG2 GLN 104 - HB3 GLU 97 far 0 81 0 - 8.6-9.6 HG3 GLU 97 - HB3 GLU 102 far 0 93 0 - 8.6-12.4 Violated in 0 structures by 0.00 A. Peak 3132 from aliabs.peaks (7.75, 2.22, 28.66 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 98 + HB3 GLU 97 OK 100 100 100 100 3.1-4.2 4.7=100 H LEU 98 - HB3 GLU 102 far 0 93 0 - 6.5-9.4 Violated in 0 structures by 0.00 A. Peak 3133 from aliabs.peaks (8.50, 2.24, 35.20 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 97 + HG2 GLU 97 OK 100 100 100 100 2.1-2.4 7348/1.8=86, 4.6=80...(19) H LEU 100 - HG2 GLU 97 far 0 98 0 - 6.1-6.7 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 3.0-3.8 3.8=100 HB2 SER 99 - HG2 GLU 97 far 0 100 0 - 7.1-8.3 Violated in 0 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 2.2-3.0 2.9=100 HB3 LEU 69 - HG2 GLU 97 far 0 73 0 - 7.0-8.5 HB VAL 126 - HG2 GLU 97 far 0 71 0 - 9.6-10.9 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 far 0 68 0 - 6.3-10.6 HG3 GLU 128 - HG2 GLU 97 far 0 81 0 - 9.7-11.9 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 3.6-4.4 7360=100, 7361/1.8=97...(16) Violated in 0 structures by 0.00 A. Peak 3140 from aliabs.peaks (8.50, 2.40, 35.20 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 97 + HG3 GLU 97 OK 100 100 100 100 1.7-1.9 7348=100, 3133/1.8=80...(16) H LEU 100 - HG3 GLU 97 far 0 98 0 - 5.4-6.4 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 5 assignments used, quality = 1.00: * HA GLU 97 + HG3 GLU 97 OK 100 100 100 100 3.6-3.7 3.8=100 HB2 SER 99 - HG3 GLU 97 far 0 100 0 - 5.9-8.0 HA LEU 43 - HG3 GLU 40 far 0 71 0 - 6.7-8.7 HA SER 130 - HG3 GLU 40 far 0 77 0 - 9.5-11.0 HA VAL 133 - HG3 GLU 40 far 0 81 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 3142 from aliabs.peaks (2.13, 2.40, 35.20 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 97 + HG3 GLU 97 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LEU 69 - HG3 GLU 97 far 0 73 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 3143 from aliabs.peaks (2.22, 2.40, 35.20 ppm; 3.34 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLU 97 + HG3 GLU 97 OK 100 100 100 100 2.6-3.0 2.9=100 HG2 GLU 97 + HG3 GLU 97 OK 76 76 100 100 1.8-1.8 1.8=100 HB3 LEU 96 - HG3 GLU 97 far 0 76 0 - 4.3-5.1 HB2 GLN 101 - HG3 GLU 97 far 0 93 0 - 7.7-9.7 HB VAL 133 - HG3 GLU 40 far 0 41 0 - 8.3-10.2 HB3 GLU 102 - HG3 GLU 97 far 0 98 0 - 8.6-12.4 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 4 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 2.6-3.0 2.9=93, 4.0/7348=23...(10) HB3 LEU 96 - HG3 GLU 97 far 0 100 0 - 4.3-5.1 HB3 GLU 102 - HG3 GLU 97 far 0 93 0 - 8.6-12.4 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 1.9-3.4 7361=100, 7360/1.8=98...(17) 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 5 assignments used, quality = 1.00: * H LEU 98 + HA LEU 98 OK 100 100 100 100 2.7-2.8 2.9=100 HE22 GLN 68 - HA LEU 48 far 0 57 0 - 6.0-9.3 HE22 GLN 68 - HA LEU 49 far 0 49 0 - 6.6-9.0 H GLU 55 - HA LEU 49 far 0 85 0 - 7.2-7.8 H GLU 55 - HA LEU 48 far 0 94 0 - 8.5-9.4 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 10 assignments used, quality = 1.00: * HB2 LEU 98 + HA LEU 98 OK 100 100 100 100 2.7-3.0 3.0=100 HG LEU 62 - HA LEU 49 far 0 85 0 - 5.7-6.3 HB2 LEU 123 - HA LEU 49 far 0 85 0 - 6.6-8.2 HD2 LYS 95 - HA LEU 98 far 0 99 0 - 7.4-10.1 HG LEU 119 - HA GLN 104 far 0 33 0 - 8.0-9.1 HD3 LYS 95 - HA LEU 98 far 0 95 0 - 8.2-10.1 HB2 LEU 69 - HA LEU 49 far 0 84 0 - 8.2-9.0 HG LEU 62 - HA GLN 104 far 0 54 0 - 8.7-9.7 HG LEU 62 - HA LEU 48 far 0 95 0 - 9.6-10.2 HG LEU 119 - HA LEU 49 far 0 56 0 - 9.6-10.3 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 10 assignments used, quality = 1.00: * HB3 LEU 98 + HA LEU 98 OK 100 100 100 100 2.2-2.7 3.0=100 HB2 LEU 48 + HA LEU 48 OK 94 94 100 100 2.5-2.7 3.0=100 HB2 LEU 48 + HA LEU 49 OK 83 84 100 98 3.8-4.2 6598/2.9=53, ~6600=22...(26) HB3 LEU 103 + HA GLN 104 OK 49 50 100 99 4.2-4.5 7488/3.0=58...(19) HB3 LEU 122 - HA LEU 49 far 0 83 0 - 5.8-9.0 HG LEU 100 - HA LEU 98 far 0 97 0 - 6.7-7.2 HB3 LEU 122 - HA LEU 98 far 0 99 0 - 7.2-10.8 HB3 LEU 103 - HA LEU 98 far 0 97 0 - 7.9-8.8 HG LEU 100 - HA GLN 104 far 0 50 0 - 8.0-8.7 HG LEU 100 - HA LEU 49 far 0 80 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 3151 from aliabs.peaks (1.71, 4.11, 57.89 ppm; 4.18 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 98 + HA LEU 98 OK 100 100 100 100 2.9-3.7 3.7=100 HG LEU 48 + HA LEU 48 OK 94 94 100 100 2.4-3.2 3.7=100 HG LEU 48 - HA LEU 49 far 0 84 0 - 6.5-6.5 HB3 LEU 70 - HA LEU 98 far 0 100 0 - 9.3-10.0 HB2 LEU 70 - HA LEU 98 far 0 100 0 - 9.4-9.8 HB2 LEU 43 - HA LEU 48 far 0 93 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 3152 from aliabs.peaks (0.86, 4.11, 57.89 ppm; 4.01 A): 2 out of 11 assignments used, quality = 1.00: * QD1 LEU 98 + HA LEU 98 OK 100 100 100 100 1.9-3.0 4.0=100 QD2 LEU 98 + HA LEU 98 OK 76 76 100 100 2.0-4.1 4.0=100 QD2 LEU 69 - HA LEU 49 far 0 83 0 - 5.1-5.5 QG2 VAL 57 - HA LEU 49 far 0 85 0 - 5.3-5.9 QD2 LEU 69 - HA LEU 48 far 0 92 0 - 5.7-6.1 QD2 LEU 123 - HA LEU 49 far 0 58 0 - 5.9-6.7 QD2 LEU 70 - HA LEU 98 far 0 100 0 - 6.1-6.6 QG2 VAL 57 - HA LEU 48 far 0 94 0 - 7.4-7.9 QD2 LEU 123 - HA LEU 48 far 0 67 0 - 8.2-9.0 QD2 LEU 70 - HA LEU 49 far 0 85 0 - 8.8-9.4 QG2 VAL 57 - HA GLN 104 far 0 54 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 3153 from aliabs.peaks (0.88, 4.11, 57.89 ppm; 3.68 A): 5 out of 21 assignments used, quality = 1.00: * QD2 LEU 98 + HA LEU 98 OK 100 100 100 100 2.0-4.1 2.1/3185=84, 4.0=80...(21) QD2 LEU 48 + HA LEU 48 OK 86 86 100 100 1.9-2.6 3.8=90, 10961/1615=34...(22) QD1 LEU 98 + HA LEU 98 OK 76 76 100 100 1.9-3.0 4.0=80, 2.1/3193=49...(22) QD1 LEU 48 + HA LEU 48 OK 57 57 100 100 3.8-3.8 4.0=76, 2.1/3193=53...(21) QG2 VAL 63 + HA GLN 104 OK 27 27 100 98 2.0-2.8 2.1/11433=37...(20) QD2 LEU 48 - HA LEU 49 far 0 76 0 - 4.8-5.6 QD2 LEU 69 - HA LEU 49 far 0 72 0 - 5.1-5.5 QG2 VAL 57 - HA LEU 49 far 0 54 0 - 5.3-5.9 QD1 LEU 48 - HA LEU 49 far 0 49 0 - 5.4-5.7 QD2 LEU 69 - HA LEU 48 far 0 82 0 - 5.7-6.1 QD2 LEU 123 - HA LEU 49 far 0 85 0 - 5.9-6.7 QD2 LEU 70 - HA LEU 98 far 0 71 0 - 6.1-6.6 QG1 VAL 118 - HA GLN 104 far 0 49 0 - 6.1-6.3 QG1 VAL 118 - HA LEU 98 far 0 97 0 - 6.2-7.0 QG2 VAL 57 - HA LEU 48 far 0 62 0 - 7.4-7.9 QG2 VAL 63 - HA LEU 49 far 0 47 0 - 7.8-8.3 QD2 LEU 123 - HA LEU 48 far 0 95 0 - 8.2-9.0 QG1 VAL 118 - HA LEU 49 far 0 79 0 - 8.6-9.4 QD2 LEU 70 - HA LEU 49 far 0 54 0 - 8.8-9.4 QG2 VAL 63 - HA LEU 98 far 0 63 0 - 9.0-9.8 QG2 VAL 57 - HA GLN 104 far 0 32 0 - 9.9-10.5 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 9 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 3.6-3.6 3.6=100 H LEU 49 + HA LEU 49 OK 81 81 100 100 2.7-2.7 2.9=100 H LEU 123 - HA LEU 49 far 0 56 0 - 6.3-7.5 H ALA 110 - HA GLN 104 far 0 33 0 - 6.6-10.3 H LEU 96 - HA LEU 98 far 0 90 0 - 6.8-7.0 H VAL 126 - HA LEU 49 far 0 78 0 - 7.6-8.2 H LEU 69 - HA LEU 49 far 0 83 0 - 7.7-8.5 H LEU 69 - HA LEU 48 far 0 92 0 - 9.4-9.9 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 3.5-4.1 7418/3157=80...(21) H LYS 95 - HA LEU 98 far 0 93 0 - 7.1-7.5 H CYS 45 - HA LEU 48 far 0 95 0 - 7.2-7.5 H GLN 101 - HA GLN 104 far 0 54 0 - 7.7-8.1 H CYS 45 - HA LEU 49 far 0 85 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 3156 from aliabs.peaks (2.21, 4.11, 57.89 ppm; 3.89 A): 3 out of 15 assignments used, quality = 0.89: HB3 GLU 97 + HA LEU 98 OK 68 93 75 98 4.0-5.3 7359/2.9=51, ~7358=35...(14) HB2 GLN 104 + HA GLN 104 OK 42 42 100 100 2.5-2.6 3.0=100 HB3 GLN 104 + HA GLN 104 OK 41 41 100 100 2.3-2.4 3.0=100 HB3 GLU 102 - HA LEU 98 far 0 76 0 - 4.7-7.8 ! HB2 GLN 101 - HA LEU 98 far 0 100 0 - 4.9-5.4 HG2 GLN 68 - HA LEU 49 far 0 80 0 - 7.1-8.9 HB3 GLN 127 - HA LEU 49 far 0 70 0 - 7.4-9.1 HG2 GLN 68 - HA LEU 48 far 0 90 0 - 7.9-8.8 HB3 GLU 102 - HA GLN 104 far 0 34 0 - 8.0-8.6 HB2 GLN 101 - HA GLN 104 far 0 54 0 - 8.1-8.9 HB2 GLN 68 - HA LEU 49 far 0 76 0 - 8.5-10.1 HB3 GLN 127 - HA LEU 48 far 0 80 0 - 8.8-10.9 HB2 GLN 68 - HA LEU 48 far 0 86 0 - 9.0-10.6 HB3 GLN 68 - HA LEU 49 far 0 54 0 - 9.5-10.6 HB3 GLN 68 - HA LEU 48 far 0 62 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 3157 from aliabs.peaks (2.30, 4.11, 57.89 ppm; 4.30 A increased from 4.05 A): 1 out of 9 assignments used, quality = 0.99: * HB3 GLN 101 + HA LEU 98 OK 99 100 100 99 3.5-4.7 7418/3155=54, 3295=49...(12) HG2 GLU 102 - HA LEU 98 poor 7 65 45 25 4.6-8.2 5.0/7442=18, 3317/3315=6 HG2 GLN 61 - HA LEU 49 far 0 66 0 - 6.2-7.9 HG2 GLU 102 - HA GLN 104 far 0 29 0 - 7.8-10.1 HG3 GLN 68 - HA LEU 49 far 0 68 0 - 7.8-9.4 HG2 GLN 61 - HA LEU 48 far 0 76 0 - 7.9-9.2 HG3 GLN 68 - HA LEU 48 far 0 78 0 - 8.3-9.4 HB3 GLN 101 - HA GLN 104 far 0 54 0 - 8.5-9.3 HG2 GLU 44 - HA LEU 48 far 0 83 0 - 8.6-9.9 Violated in 1 structures by 0.02 A. Peak 3158 from aliabs.peaks (4.02, 1.65, 41.87 ppm; 3.82 A): 1 out of 6 assignments used, quality = 0.99: * HA LYS 95 + HB2 LEU 98 OK 99 100 100 99 2.5-3.1 11470/3.1=63...(15) HB3 SER 99 - HB2 LEU 98 far 0 65 0 - 4.8-6.8 HA LEU 96 - HB2 LEU 98 far 0 60 0 - 5.0-6.2 HA LEU 122 - HB2 LEU 98 far 0 92 0 - 6.3-8.6 HA GLU 102 - HB2 LEU 98 far 0 73 0 - 8.2-9.4 HA LEU 103 - HB2 LEU 98 far 0 97 0 - 9.6-11.8 Violated in 0 structures by 0.00 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 2.1-2.4 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 2.7-3.0 3.0=100 HA GLN 101 - HB2 LEU 98 far 0 100 0 - 8.2-8.7 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 - 6.4-10.7 HG LEU 100 - HB2 LEU 98 far 0 97 0 - 7.1-8.0 HB3 LEU 103 - HB2 LEU 98 far 0 97 0 - 8.9-10.5 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 1 assignment used, quality = 1.00: * HG LEU 98 + HB2 LEU 98 OK 100 100 100 100 2.3-2.6 3.0=100 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 3 assignments used, quality = 1.00: * QD1 LEU 98 + HB2 LEU 98 OK 100 100 100 100 3.1-3.2 3.1=100 QD2 LEU 98 + HB2 LEU 98 OK 76 76 100 100 2.1-2.7 3.1=100 QD2 LEU 70 - HB2 LEU 98 far 0 100 0 - 6.4-6.9 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 4 assignments used, quality = 1.00: * QD2 LEU 98 + HB2 LEU 98 OK 100 100 100 100 2.1-2.7 3.1=100 QD1 LEU 98 + HB2 LEU 98 OK 76 76 100 100 3.1-3.2 3.1=100 QG1 VAL 118 - HB2 LEU 98 far 0 97 0 - 6.2-7.5 QD2 LEU 70 - HB2 LEU 98 far 0 71 0 - 6.4-6.9 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 4 assignments used, quality = 1.00: * H SER 99 + HB2 LEU 98 OK 100 100 100 100 2.3-3.5 4.6=82, 7375/7363=61...(17) H LEU 96 - HB2 LEU 98 far 5 90 5 - 4.9-5.4 H VAL 126 - HB2 LEU 98 far 0 96 0 - 9.4-10.7 H LEU 123 - HB2 LEU 98 far 0 73 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 3167 from aliabs.peaks (4.02, 1.78, 41.87 ppm; 4.15 A): 4 out of 26 assignments used, quality = 1.00: * HA LYS 95 + HB3 LEU 98 OK 100 100 100 100 4.1-4.6 3158/1.8=84, 2963=79...(23) HA LEU 119 + HB3 LEU 122 OK 86 96 95 95 3.6-5.0 3764=79, 3762/3.5=41...(9) HA LEU 122 + HB3 LEU 122 OK 85 85 100 100 2.4-3.0 3.0=100 HA LEU 103 + HB3 LEU 103 OK 70 70 100 100 3.0-3.0 3.0=100 HB3 SER 99 - HB3 LEU 122 poor 15 59 25 - 3.5-6.2 HA LEU 96 - HB3 LEU 122 far 3 54 5 - 3.3-5.7 HB3 SER 99 - HB3 LEU 103 far 0 42 0 - 4.8-6.5 HB3 SER 99 - HB3 LEU 98 far 0 65 0 - 5.1-7.2 HA GLU 102 - HB3 LEU 103 far 0 48 0 - 5.6-5.8 HA SER 60 - HB3 LEU 103 far 0 64 0 - 5.6-7.0 HA LEU 119 - HB3 LEU 103 far 0 75 0 - 5.7-6.8 HA SER 50 - HB3 LEU 122 far 0 56 0 - 6.1-9.8 HA LEU 96 - HB3 LEU 98 far 0 60 0 - 6.4-7.5 HA GLU 102 - HB3 LEU 98 far 0 73 0 - 7.0-8.4 HB3 SER 124 - HB3 LEU 122 far 0 89 0 - 7.0-8.0 HA LYS 95 - HB3 LEU 122 far 0 96 0 - 7.3-10.2 HA LEU 122 - HB3 LEU 98 far 0 92 0 - 7.4-9.8 HA SER 50 - HB2 LEU 48 far 0 50 0 - 7.5-7.9 HA GLU 44 - HB2 LEU 48 far 0 73 0 - 7.5-8.0 HA LEU 122 - HB3 LEU 103 far 0 64 0 - 7.8-8.9 HA LEU 103 - HB3 LEU 122 far 0 91 0 - 7.8-9.2 HA LEU 96 - HB3 LEU 103 far 0 38 0 - 8.2-9.1 HA LEU 103 - HB3 LEU 98 far 0 97 0 - 8.9-11.4 HA GLU 102 - HB3 LEU 122 far 0 66 0 - 9.2-12.1 HA GLN 68 - HB2 LEU 48 far 0 63 0 - 9.3-10.3 HA SER 60 - HB3 LEU 122 far 0 85 0 - 9.8-11.4 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 6 assignments used, quality = 1.00: * H LEU 98 + HB3 LEU 98 OK 100 100 100 100 3.4-3.6 3.9=100 HE22 GLN 68 - HB2 LEU 48 poor 16 52 30 - 3.9-6.7 H LEU 98 - HB3 LEU 122 far 0 96 0 - 5.9-9.5 H LEU 98 - HB3 LEU 103 far 0 76 0 - 8.5-9.4 H GLU 55 - HB2 LEU 48 far 0 88 0 - 9.3-10.0 H GLU 55 - HB3 LEU 122 far 0 96 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 3169 from aliabs.peaks (4.11, 1.78, 41.87 ppm; 4.04 A): 5 out of 14 assignments used, quality = 1.00: * HA LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.2-2.7 3.0=100 HA LEU 49 + HB2 LEU 48 OK 88 89 100 99 3.8-4.2 2.9/6598=58...(26) HA LEU 48 + HB2 LEU 48 OK 87 87 100 100 2.5-2.7 3.0=100 HA CYS 45 + HB2 LEU 48 OK 81 85 95 100 4.4-4.7 1438/1.8=68, 1437=65...(14) HA GLN 104 + HB3 LEU 103 OK 59 59 100 99 4.2-4.5 3.0/7488=62...(19) HA GLN 101 - HB3 LEU 103 far 0 76 0 - 5.2-5.4 HA LEU 49 - HB3 LEU 122 far 0 96 0 - 5.8-9.0 HA ALA 52 - HB2 LEU 48 far 0 57 0 - 6.3-6.9 HA LEU 98 - HB3 LEU 122 far 0 96 0 - 7.2-10.8 HA GLN 101 - HB3 LEU 98 far 0 100 0 - 7.6-8.2 HA LEU 98 - HB3 LEU 103 far 0 76 0 - 7.9-8.8 HA GLN 101 - HB3 LEU 122 far 0 96 0 - 8.5-11.3 HA3 GLY 114 - HB3 LEU 122 far 0 81 0 - 9.0-13.1 HA ALA 52 - HB3 LEU 122 far 0 64 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 3170 from aliabs.peaks (1.65, 1.78, 41.87 ppm; 3.05 A): 1 out of 13 assignments used, quality = 1.00: * HB2 LEU 98 + HB3 LEU 98 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 123 - HB3 LEU 122 far 0 96 0 - 4.3-6.2 HG LEU 119 - HB3 LEU 103 far 0 48 0 - 5.7-7.1 HG LEU 119 - HB3 LEU 122 far 0 66 0 - 6.1-7.3 HD2 LYS 95 - HB3 LEU 98 far 0 99 0 - 6.3-9.1 HB2 LEU 98 - HB3 LEU 122 far 0 96 0 - 6.4-10.7 HG LEU 62 - HB3 LEU 122 far 0 96 0 - 6.5-9.7 HD3 LYS 95 - HB3 LEU 98 far 0 95 0 - 7.0-9.0 HG LEU 62 - HB3 LEU 103 far 0 75 0 - 7.8-8.7 HB2 LEU 69 - HB3 LEU 122 far 0 95 0 - 8.0-8.6 HG LEU 62 - HB2 LEU 48 far 0 89 0 - 8.4-8.9 HB2 LEU 98 - HB3 LEU 103 far 0 76 0 - 8.9-10.5 HB2 LEU 69 - HB2 LEU 48 far 0 88 0 - 9.0-9.5 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): 2 out of 5 assignments used, quality = 1.00: * HG LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.6-3.0 3.0=100 HG LEU 48 + HB2 LEU 48 OK 88 88 100 100 3.0-3.0 3.0=100 HG LEU 98 - HB3 LEU 103 far 0 76 0 - 8.6-11.6 HG LEU 98 - HB3 LEU 122 far 0 96 0 - 8.7-11.9 HB3 LEU 70 - HB3 LEU 122 far 0 95 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 3173 from aliabs.peaks (0.86, 1.78, 41.87 ppm; 3.86 A): 2 out of 17 assignments used, quality = 1.00: * QD1 LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.2-2.4 3.1=100 QD2 LEU 98 + HB3 LEU 98 OK 76 76 100 100 2.3-3.1 3.1=100 QD2 LEU 69 - HB2 LEU 48 far 0 86 0 - 4.8-5.2 QD2 LEU 123 - HB3 LEU 122 far 0 69 0 - 5.8-7.4 QD2 LEU 70 - HB3 LEU 122 far 0 96 0 - 5.9-7.5 QG2 VAL 57 - HB2 LEU 48 far 0 88 0 - 6.9-7.4 QD2 LEU 69 - HB3 LEU 122 far 0 94 0 - 7.1-8.2 QD2 LEU 98 - HB3 LEU 122 far 0 69 0 - 7.1-10.5 QD1 LEU 98 - HB3 LEU 103 far 0 76 0 - 7.4-9.3 QD2 LEU 70 - HB3 LEU 98 far 0 100 0 - 7.4-8.0 QG2 VAL 57 - HB3 LEU 122 far 0 96 0 - 7.6-10.4 QD2 LEU 70 - HB3 LEU 103 far 0 75 0 - 7.9-8.5 QD1 LEU 98 - HB3 LEU 122 far 0 96 0 - 8.0-10.9 QD2 LEU 98 - HB3 LEU 103 far 0 50 0 - 8.6-10.2 QD2 LEU 123 - HB2 LEU 48 far 0 61 0 - 8.9-9.5 QG2 VAL 57 - HB3 LEU 103 far 0 75 0 - 9.4-10.1 QD2 LEU 70 - HB2 LEU 48 far 0 88 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 3174 from aliabs.peaks (0.88, 1.78, 41.87 ppm; 3.63 A): 6 out of 28 assignments used, quality = 1.00: * QD2 LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.3-3.1 3.1=100 QD2 LEU 48 + HB2 LEU 48 OK 80 80 100 100 2.0-2.4 3.1=100 QD1 LEU 98 + HB3 LEU 98 OK 76 76 100 100 2.2-2.4 3.1=100 QG1 VAL 118 + HB3 LEU 103 OK 69 69 100 100 2.7-3.2 ~10263=43, ~10263=43...(27) QD1 LEU 48 + HB2 LEU 48 OK 52 52 100 100 2.2-2.6 3.1=100 QG2 VAL 63 + HB3 LEU 103 OK 38 40 100 95 2.1-3.2 2.1/10963=24, ~10972=24...(22) QG1 VAL 118 - HB3 LEU 122 poor 19 90 25 86 3.7-4.7 11748/3.5=36...(16) QD2 LEU 69 - HB2 LEU 48 far 0 75 0 - 4.8-5.2 QD2 LEU 123 - HB3 LEU 122 far 0 96 0 - 5.8-7.4 QG1 VAL 118 - HB3 LEU 98 far 0 97 0 - 5.9-7.6 QD2 LEU 70 - HB3 LEU 122 far 0 64 0 - 5.9-7.5 QG2 VAL 63 - HB3 LEU 122 far 0 56 0 - 6.3-7.1 QG2 VAL 57 - HB2 LEU 48 far 0 57 0 - 6.9-7.4 QD2 LEU 69 - HB3 LEU 122 far 0 83 0 - 7.1-8.2 QD2 LEU 98 - HB3 LEU 122 far 0 96 0 - 7.1-10.5 QD1 LEU 98 - HB3 LEU 103 far 0 50 0 - 7.4-9.3 QD2 LEU 70 - HB3 LEU 98 far 0 71 0 - 7.4-8.0 QG2 VAL 57 - HB3 LEU 122 far 0 64 0 - 7.6-10.4 QD2 LEU 70 - HB3 LEU 103 far 0 46 0 - 7.9-8.5 QD1 LEU 98 - HB3 LEU 122 far 0 69 0 - 8.0-10.9 QD2 LEU 98 - HB3 LEU 103 far 0 76 0 - 8.6-10.2 QD2 LEU 123 - HB2 LEU 48 far 0 89 0 - 8.9-9.5 QG2 VAL 57 - HB3 LEU 103 far 0 46 0 - 9.4-10.1 QG2 VAL 63 - HB2 LEU 48 far 0 50 0 - 9.6-10.2 QD2 LEU 48 - HB3 LEU 122 far 0 88 0 - 9.7-12.1 QD1 LEU 48 - HB3 LEU 122 far 0 59 0 - 9.8-11.5 QG2 VAL 63 - HB3 LEU 98 far 0 63 0 - 9.9-11.4 QD2 LEU 70 - HB2 LEU 48 far 0 57 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 3175 from aliabs.peaks (8.29, 1.78, 41.87 ppm; 4.74 A): 4 out of 13 assignments used, quality = 1.00: * H SER 99 + HB3 LEU 98 OK 100 100 100 100 3.0-4.2 4.6=100 H LEU 49 + HB2 LEU 48 OK 84 84 100 100 2.6-3.1 4.6=100 H VAL 126 + HB3 LEU 122 OK 77 89 90 96 4.7-5.5 10405/1.8=73...(13) H LEU 123 + HB3 LEU 122 OK 66 66 100 100 2.2-3.9 4.3=100 H SER 99 - HB3 LEU 122 far 5 96 5 - 3.9-7.5 H LEU 96 - HB3 LEU 122 far 0 83 0 - 6.0-8.4 H LEU 96 - HB3 LEU 98 far 0 90 0 - 6.6-7.1 H SER 99 - HB3 LEU 103 far 0 76 0 - 6.8-7.4 H LEU 49 - HB3 LEU 122 far 0 92 0 - 7.4-9.9 H LEU 69 - HB2 LEU 48 far 0 86 0 - 7.5-8.2 H LEU 123 - HB3 LEU 103 far 0 48 0 - 8.5-9.7 H ALA 110 - HB3 LEU 103 far 0 48 0 - 8.8-13.2 H LEU 69 - HB3 LEU 122 far 0 94 0 - 9.0-9.5 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 2 assignments used, quality = 1.00: * H LEU 98 + HG LEU 98 OK 100 100 100 100 2.4-3.6 7365=100, 3192/2.1=81...(19) HE22 GLN 68 - HG LEU 48 lone 0 62 55 1 3.8-8.2 Violated in 0 structures by 0.00 A. Peak 3177 from aliabs.peaks (4.11, 1.71, 26.70 ppm; 3.88 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 98 + HG LEU 98 OK 100 100 100 100 2.9-3.7 3.7=100 HA LEU 48 + HG LEU 48 OK 97 97 100 100 2.4-3.2 3.7=100 HA CYS 45 + HG LEU 48 OK 95 96 100 99 2.0-4.3 1529/2.1=60, 10886=51...(14) HA LEU 49 - HG LEU 48 far 0 98 0 - 6.5-6.5 HA ALA 52 - HG LEU 48 far 0 67 0 - 7.8-9.2 HA GLN 101 - HG LEU 98 far 0 100 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 3178 from aliabs.peaks (1.65, 1.71, 26.70 ppm; 4.74 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 98 + HG LEU 98 OK 100 100 100 100 2.3-2.6 3.0=100 HD2 LYS 95 - HG LEU 98 far 10 99 10 - 4.1-8.1 HD3 LYS 95 - HG LEU 98 far 0 95 0 - 5.4-7.9 HB2 LEU 69 - HG LEU 48 far 0 98 0 - 9.1-10.9 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 5 assignments used, quality = 1.00: * HB3 LEU 98 + HG LEU 98 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 LEU 48 + HG LEU 48 OK 98 98 100 100 3.0-3.0 3.0=100 HG LEU 100 - HG LEU 98 far 0 97 0 - 7.2-9.7 HB3 LEU 103 - HG LEU 98 far 0 97 0 - 8.6-11.6 HB3 LEU 122 - HG LEU 98 far 0 99 0 - 8.7-11.9 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 5 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 0 96 0 - 4.5-6.1 QD2 LEU 70 - HG LEU 98 far 0 100 0 - 6.4-8.0 QG2 VAL 57 - HG LEU 48 far 0 98 0 - 8.9-9.8 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 9 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 QD2 LEU 69 - HG LEU 48 far 0 86 0 - 4.5-6.1 QG1 VAL 118 - HG LEU 98 far 0 97 0 - 5.7-8.7 QD2 LEU 70 - HG LEU 98 far 0 71 0 - 6.4-8.0 QG2 VAL 57 - HG LEU 48 far 0 67 0 - 8.9-9.8 QG2 VAL 63 - HG LEU 98 far 0 63 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 3183 from aliabs.peaks (8.29, 1.71, 26.70 ppm; 4.95 A): 2 out of 7 assignments used, quality = 1.00: * H SER 99 + HG LEU 98 OK 100 100 100 100 2.3-5.1 3191/2.1=79, 3166/3.0=77...(14) H LEU 49 + HG LEU 48 OK 95 95 100 100 4.2-4.7 6600=97, 6589/6586=79...(26) H LEU 96 - HG LEU 98 far 14 90 15 - 5.4-6.4 H LEU 69 - HG LEU 48 far 0 96 0 - 7.6-9.6 H LEU 43 - HG LEU 48 far 0 98 0 - 8.6-10.5 H VAL 126 - HG LEU 98 far 0 96 0 - 9.6-11.6 H LEU 123 - HG LEU 98 far 0 73 0 - 10.0-12.8 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 3.3-4.2 2.9/3185=91, 3176/2.1=90...(20) 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 2 assignments used, quality = 0.99: * HA LEU 98 + QD1 LEU 98 OK 99 100 100 99 1.9-3.0 4.0=57, 2.9/3184=33...(22) HA GLN 101 - QD1 LEU 98 far 0 100 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 3186 from aliabs.peaks (1.65, 0.86, 23.69 ppm; 3.70 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 98 + QD1 LEU 98 OK 100 100 100 100 3.1-3.2 3.1=100 HD2 LYS 95 - QD1 LEU 98 far 0 99 0 - 5.3-8.6 HD3 LYS 95 - QD1 LEU 98 far 0 95 0 - 6.2-8.4 HD2 LYS 24 - QD1 LEU 98 far 0 92 0 - 9.6-30.7 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 2.2-2.4 3.1=100 HG LEU 100 - QD1 LEU 98 far 0 97 0 - 7.1-8.5 HB3 LEU 103 - QD1 LEU 98 far 0 97 0 - 7.4-9.3 HB3 LEU 122 - QD1 LEU 98 far 0 99 0 - 8.0-10.9 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 HB2 LEU 70 - QD1 LEU 98 far 0 100 0 - 8.9-10.8 HB3 LEU 70 - QD1 LEU 98 far 0 100 0 - 9.1-10.7 HG3 ARG 90 - QD1 LEU 98 far 0 63 0 - 9.9-13.3 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; 4.79 A increased from 4.51 A): 1 out of 4 assignments used, quality = 1.00: * H SER 99 + QD1 LEU 98 OK 100 100 100 100 3.3-4.8 3.6/3185=85, 3166/3.1=72...(16) H LEU 96 - QD1 LEU 98 far 0 90 0 - 6.6-7.1 H LEU 123 - QD1 LEU 98 far 0 73 0 - 9.5-11.9 H VAL 126 - QD1 LEU 98 far 0 96 0 - 9.9-11.2 Violated in 1 structures by 0.00 A. Peak 3192 from aliabs.peaks (7.75, 0.88, 24.09 ppm; 4.04 A increased from 3.81 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 98 + QD2 LEU 98 OK 100 100 100 100 1.9-3.9 3176/2.1=78, 7364/3.1=66...(18) HE22 GLN 68 - QD2 LEU 48 poor 17 42 40 - 4.2-6.5 H GLU 55 - QD2 LEU 48 far 0 75 0 - 7.9-9.1 Violated in 0 structures by 0.00 A. Peak 3193 from aliabs.peaks (4.11, 0.88, 24.09 ppm; 3.11 A): 2 out of 6 assignments used, quality = 0.82: HA LEU 48 + QD2 LEU 48 OK 71 73 100 97 1.9-2.6 3.8=55, 1615/10961=23...(20) * HA LEU 98 + QD2 LEU 98 OK 39 100 40 98 2.0-4.1 4.0=48, 2.9/3192=36...(20) HA CYS 45 - QD2 LEU 48 far 4 72 5 - 3.7-4.9 HA LEU 49 - QD2 LEU 48 far 0 75 0 - 4.8-5.6 HA ALA 52 - QD2 LEU 48 far 0 46 0 - 5.2-6.6 HA GLN 101 - QD2 LEU 98 far 0 100 0 - 6.5-8.8 Violated in 0 structures by 0.00 A. Peak 3194 from aliabs.peaks (1.65, 0.88, 24.09 ppm; 3.38 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 98 + QD2 LEU 98 OK 100 100 100 100 2.1-2.7 3.1=100 HD2 LYS 95 - QD2 LEU 98 far 5 99 5 - 3.7-7.1 HD3 LYS 95 - QD2 LEU 98 far 5 95 5 - 3.8-7.3 HG LEU 62 - QD2 LEU 48 far 0 75 0 - 7.7-9.6 HD2 LYS 24 - QD2 LEU 98 far 0 92 0 - 8.0-30.5 HD3 LYS 24 - QD2 LEU 98 far 0 99 0 - 9.2-29.6 HB2 LEU 69 - QD2 LEU 98 far 0 100 0 - 9.2-11.4 HB2 LEU 69 - QD2 LEU 48 far 0 75 0 - 9.5-9.8 HG LEU 43 - QD2 LEU 48 far 0 75 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 6 assignments used, quality = 1.00: * HB3 LEU 98 + QD2 LEU 98 OK 99 100 100 99 2.3-3.1 3.1=99 HB2 LEU 48 + QD2 LEU 48 OK 74 75 100 100 2.0-2.4 3.1=98, 3.0/3193=31...(21) HG LEU 100 - QD2 LEU 98 far 0 97 0 - 6.8-8.8 HB3 LEU 122 - QD2 LEU 98 far 0 99 0 - 7.1-10.5 HB3 LEU 103 - QD2 LEU 98 far 0 97 0 - 8.6-10.2 HB3 LEU 122 - QD2 LEU 48 far 0 73 0 - 9.7-12.1 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 6 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 - 7.6-10.6 HB3 LEU 70 - QD2 LEU 98 far 0 100 0 - 7.9-10.7 HB2 LEU 43 - QD2 LEU 48 far 0 73 0 - 7.9-10.3 HG3 ARG 90 - QD2 LEU 98 far 0 63 0 - 8.6-11.2 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; 4.51 A increased from 4.25 A): 3 out of 8 assignments used, quality = 1.00: * H SER 99 + QD2 LEU 98 OK 100 100 100 100 3.9-4.7 3166/3.1=65...(19) H LEU 49 + QD2 LEU 48 OK 71 71 100 100 4.2-4.5 6600/2.1=66, 6598/3.1=66...(29) H LEU 96 + QD2 LEU 98 OK 39 90 45 95 4.8-5.8 3.6/11470=73...(8) H LEU 69 - QD2 LEU 48 far 0 73 0 - 8.0-8.6 H LEU 43 - QD2 LEU 48 far 0 75 0 - 8.7-10.6 H VAL 126 - QD2 LEU 98 far 0 96 0 - 8.9-10.3 H LEU 123 - QD2 LEU 98 far 0 73 0 - 9.8-11.1 H ALA 21 - QD2 LEU 98 far 0 81 0 - 10.0-33.4 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 4 assignments used, quality = 1.00: * H SER 99 + HA SER 99 OK 100 100 100 100 2.7-2.9 2.9=100 H LEU 96 - HA SER 99 far 0 90 0 - 7.4-8.0 H LEU 123 - HA SER 99 far 0 73 0 - 7.7-9.1 H VAL 126 - HA SER 99 far 0 96 0 - 9.7-10.3 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 2.4-3.0 3.0=100 HA GLU 97 - HA SER 99 far 0 100 0 - 6.3-6.9 Violated in 0 structures by 0.00 A. Peak 3203 from aliabs.peaks (4.00, 4.22, 62.42 ppm; 4.01 A): 1 out of 6 assignments used, quality = 1.00: * HB3 SER 99 + HA SER 99 OK 100 100 100 100 2.2-2.8 3.0=100 HA LEU 103 - HA SER 99 far 0 89 0 - 5.4-6.8 HA LYS 95 - HA SER 99 far 0 65 0 - 6.0-6.9 HA LEU 119 - HA SER 99 far 0 63 0 - 7.1-8.5 HB3 SER 106 - HA SER 99 far 0 87 0 - 7.7-9.1 HB3 SER 94 - HA SER 99 far 0 71 0 - 9.5-10.9 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 far 0 98 0 - 6.7-7.1 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 3.4-3.7 7443=100, 7455/3206=97...(15) Violated in 0 structures by 0.00 A. Peak 3206 from aliabs.peaks (2.08, 4.22, 62.42 ppm; 4.58 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 102 + HA SER 99 OK 100 100 100 100 2.8-4.3 1.8/3207=80, 3332=69...(7) HB VAL 118 - HA SER 99 far 0 90 0 - 5.2-6.0 HG2 PRO 117 - HA SER 99 far 0 57 0 - 6.8-7.7 HG3 PRO 117 - HA SER 99 far 0 57 0 - 8.5-9.3 HB2 LEU 62 - HA SER 99 far 0 73 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 3207 from aliabs.peaks (2.23, 4.22, 62.42 ppm; 4.53 A increased from 4.26 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 102 + HA SER 99 OK 100 100 100 100 2.5-4.6 1.8/3206=77, 3.8/7443=59...(10) HB2 GLN 101 - HA SER 99 far 0 76 0 - 6.6-7.5 HB3 GLU 97 - HA SER 99 far 0 98 0 - 7.4-8.5 HB3 LEU 96 - HA SER 99 far 0 93 0 - 8.3-8.8 HG2 GLU 97 - HA SER 99 far 0 93 0 - 8.6-9.1 HB3 GLN 104 - HA SER 99 far 0 100 0 - 9.3-9.7 Violated in 2 structures by 0.01 A. Peak 3208 from aliabs.peaks (4.05, 3.76, 63.23 ppm; 4.07 A): 2 out of 7 assignments used, quality = 0.98: * HA LEU 96 + HB2 SER 99 OK 89 100 100 89 2.9-4.1 7388/4.5=34, 3214/1.8=27...(15) HA LEU 122 + HB2 SER 99 OK 82 93 95 93 3.2-5.0 3.9/11479=28...(24) HA LYS 95 - HB2 SER 99 far 0 60 0 - 4.8-6.9 HA LEU 119 - HB2 SER 99 far 0 63 0 - 5.9-7.6 HA GLU 102 - HB2 SER 99 far 0 100 0 - 7.4-8.3 HA ALA 92 - HB2 SER 99 far 0 100 0 - 8.4-10.4 HB THR 65 - HB2 SER 99 far 0 97 0 - 10.0-11.9 Violated in 0 structures by 0.00 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 2.4-3.0 3.0=100 HA SER 94 - HB2 SER 99 far 0 93 0 - 7.9-9.9 HA HIS 67 - HB2 SER 99 far 0 89 0 - 9.1-10.6 HA SER 124 - HB2 SER 99 far 0 85 0 - 9.4-10.3 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 far 0 65 0 - 4.8-6.9 HA LEU 119 - HB2 SER 99 far 0 63 0 - 5.9-7.6 HA LEU 103 - HB2 SER 99 far 0 89 0 - 6.1-8.1 HB2 SER 124 - HB2 SER 99 far 0 99 0 - 7.8-9.2 HB3 SER 124 - HB2 SER 99 far 0 92 0 - 8.3-9.5 HB3 SER 94 - HB2 SER 99 far 0 71 0 - 8.5-11.0 HB3 SER 106 - HB2 SER 99 far 0 87 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 3214 from aliabs.peaks (4.05, 4.00, 63.23 ppm; 5.04 A increased from 4.74 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 96 + HB3 SER 99 OK 96 100 100 96 4.3-5.1 7388/3219=54...(13) HA LEU 122 + HB3 SER 99 OK 92 93 100 99 4.3-5.2 3.8/11702=62...(17) HA LEU 119 - HB3 SER 99 far 6 63 10 - 5.6-7.0 HA LYS 95 - HB3 SER 99 far 0 60 0 - 5.8-7.4 HA GLU 102 - HB3 SER 99 far 0 100 0 - 7.1-7.8 HA ALA 92 - HB3 SER 99 far 0 100 0 - 9.7-11.4 HB THR 65 - HB3 SER 99 far 0 97 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 3215 from aliabs.peaks (8.29, 4.00, 63.23 ppm; 4.11 A): 1 out of 4 assignments used, quality = 1.00: * H SER 99 + HB3 SER 99 OK 100 100 100 100 3.0-3.6 3.7=100 H LEU 123 - HB3 SER 99 far 0 73 0 - 5.6-7.0 H LEU 96 - HB3 SER 99 far 0 90 0 - 6.5-7.4 H VAL 126 - HB3 SER 99 far 0 96 0 - 7.6-8.3 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 2.2-2.8 3.0=100 HA HIS 67 - HB3 SER 99 far 0 89 0 - 9.4-11.2 HA SER 94 - HB3 SER 99 far 0 93 0 - 9.5-10.5 HA SER 124 - HB3 SER 99 far 0 85 0 - 9.9-10.8 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 0 100 0 - 6.0-7.5 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 2 assignments used, quality = 1.00: * H LEU 100 + HB3 SER 99 OK 100 100 100 100 3.1-4.3 7395=100, ~7408=28...(14) H GLU 97 - HB3 SER 99 far 0 98 0 - 6.4-7.3 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 2.7-2.8 2.9=100 H GLU 97 - HA LEU 100 far 0 98 0 - 7.0-7.5 H LEU 70 - HA LEU 100 far 0 76 0 - 8.7-9.3 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 2 assignments used, quality = 1.00: * HB2 LEU 100 + HA LEU 100 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 103 + HA LEU 100 OK 57 60 100 94 2.2-2.6 3.9/7463=46, 1.8/3229=39...(16) 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 6 assignments used, quality = 1.00: * HB3 LEU 100 + HA LEU 100 OK 100 100 100 100 2.6-2.7 3.0=100 HG LEU 96 - HA LEU 100 far 0 73 0 - 6.5-7.4 HB2 LEU 96 - HA LEU 100 far 0 99 0 - 7.3-7.9 QB ALA 109 - HA LEU 100 far 0 93 0 - 9.5-10.5 QB ALA 108 - HA LEU 100 far 0 99 0 - 9.8-11.1 QB ALA 15 - HA LEU 100 far 0 99 0 - 9.9-36.8 Violated in 0 structures by 0.00 A. Peak 3224 from aliabs.peaks (1.77, 3.96, 57.71 ppm; 4.71 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 100 + HA LEU 100 OK 100 100 100 100 2.4-2.8 3.7=100 HB3 LEU 103 + HA LEU 100 OK 82 83 100 99 2.2-2.6 3.9/7463=60, 1.8/3229=48...(19) HB3 LEU 122 - HA LEU 100 far 4 89 5 - 4.4-6.6 HB3 LEU 98 - HA LEU 100 far 0 97 0 - 7.5-8.4 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 2.0-2.5 3258=100, 3260/3.0=58...(26) QD2 LEU 62 - HA LEU 100 far 0 100 0 - 7.6-8.1 QD1 ILE 129 - HA LEU 100 far 0 63 0 - 9.1-10.2 Violated in 0 structures by 0.00 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 3.8-3.8 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 = 0.99: * HB2 LEU 103 + HA LEU 100 OK 97 100 100 97 2.9-3.4 7473/7463=49, 3370=39...(18) HG LEU 122 + HA LEU 100 OK 56 65 95 91 3.4-5.5 2.1/11489=30...(19) HG LEU 103 + HA LEU 100 OK 34 87 45 87 4.3-5.1 5.0/7463=35, 3.0/3370=29...(15) HG LEU 49 - HA LEU 100 far 0 100 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 3230 from aliabs.peaks (1.79, 3.96, 57.71 ppm; 4.32 A): 3 out of 5 assignments used, quality = 1.00: * HB3 LEU 103 + HA LEU 100 OK 99 100 100 99 2.2-2.6 7474/7463=55...(20) HG LEU 100 + HA LEU 100 OK 83 83 100 100 2.4-2.8 3.7=100 HB2 LEU 100 + HA LEU 100 OK 60 60 100 100 3.0-3.0 3.0=100 HB3 LEU 122 - HA LEU 100 far 5 100 5 - 4.4-6.6 HB3 LEU 98 - HA LEU 100 far 0 97 0 - 7.5-8.4 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 2.1-2.7 3115=100, 10036/3.2=74...(19) HB2 SER 99 + HB2 LEU 100 OK 75 100 80 94 4.8-6.2 4.5/7397=60...(12) Violated in 0 structures by 0.00 A. Peak 3232 from aliabs.peaks (8.49, 1.82, 41.28 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.1-2.3 3.9=100 H GLU 97 - HB2 LEU 100 far 0 98 0 - 4.8-5.3 H LEU 70 - HB2 LEU 100 far 0 76 0 - 6.8-7.3 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 5 assignments used, quality = 1.00: * HA LEU 100 + HB2 LEU 100 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 SER 107 - HB2 LEU 100 far 0 100 0 - 9.0-11.4 HA THR 65 - HB2 LEU 100 far 0 99 0 - 9.7-10.4 HB3 SER 94 - HB2 LEU 100 far 0 99 0 - 9.8-10.6 HB2 SER 106 - HB2 LEU 100 far 0 100 0 - 10.0-12.6 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): 1 out of 6 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 far 7 73 10 - 4.5-5.3 HB2 LEU 96 - HB2 LEU 100 far 0 99 0 - 6.3-7.1 QB ALA 15 - HB2 LEU 100 far 0 99 0 - 7.6-34.9 HG3 LYS 95 - HB2 LEU 100 far 0 96 0 - 9.6-10.8 QB ALA 16 - HB2 LEU 100 far 0 87 0 - 9.7-38.4 Violated in 0 structures by 0.00 A. Peak 3236 from aliabs.peaks (1.77, 1.82, 41.28 ppm; 4.74 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.5-2.6 3.0=100 HB3 LEU 103 + HB2 LEU 100 OK 56 83 70 97 5.0-5.5 3224/3.0=32, 3261/3.2=30...(20) HB3 LEU 122 - HB2 LEU 100 far 4 89 5 - 4.8-7.7 HB3 LEU 98 - HB2 LEU 100 far 0 97 0 - 6.5-7.1 HG13 ILE 129 - HB2 LEU 100 far 0 60 0 - 10.0-11.7 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 3.1-3.2 3.2=100 QD1 ILE 129 - HB2 LEU 100 far 0 63 0 - 7.9-9.0 QD2 LEU 62 - HB2 LEU 100 far 0 100 0 - 9.1-9.7 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 2.0-2.2 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 2.4-2.6 4.6=100 H LYS 95 - HB2 LEU 100 far 0 93 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 3240 from aliabs.peaks (3.76, 1.37, 41.28 ppm; 5.25 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 97 + HB3 LEU 100 OK 100 100 100 100 3.7-4.3 3115/1.8=99...(23) HB2 SER 99 - HB3 LEU 100 far 10 100 10 - 5.8-7.4 Violated in 0 structures by 0.00 A. Peak 3241 from aliabs.peaks (8.49, 1.37, 41.28 ppm; 4.88 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 100 + HB3 LEU 100 OK 100 100 100 100 3.5-3.6 3.9=100 H GLU 97 - HB3 LEU 100 far 0 98 0 - 6.5-7.0 H LEU 70 - HB3 LEU 100 far 0 76 0 - 7.0-7.7 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 5 assignments used, quality = 1.00: * HA LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.6-2.7 3.0=100 HB3 SER 107 - HB3 LEU 100 far 0 100 0 - 7.9-10.3 HA THR 65 - HB3 LEU 100 far 0 99 0 - 8.9-9.6 HB2 SER 106 - HB3 LEU 100 far 0 100 0 - 9.6-11.9 HB3 SER 106 - HB3 LEU 100 far 0 92 0 - 10.0-11.6 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 2 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 29 60 55 88 4.1-4.6 3222/3.0=19...(19) 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): 2 out of 4 assignments used, quality = 1.00: * HG LEU 100 + HB3 LEU 100 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 103 + HB3 LEU 100 OK 82 83 100 100 4.1-4.6 3224/3.0=40, ~3370=36...(22) HB3 LEU 122 - HB3 LEU 100 far 4 89 5 - 5.8-8.1 HB3 LEU 98 - HB3 LEU 100 far 0 97 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 3246 from aliabs.peaks (0.68, 1.37, 41.28 ppm; 4.36 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.1-2.3 3.2=100 QD2 LEU 62 - HB3 LEU 100 far 0 100 0 - 8.6-9.2 QD1 ILE 129 - HB3 LEU 100 far 0 63 0 - 8.9-10.1 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 2.5-2.7 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): 1 out of 3 assignments used, quality = 1.00: * H LEU 100 + HG LEU 100 OK 100 100 100 100 2.6-3.1 7399=100, 3257/2.1=81...(36) H GLU 97 - HG LEU 100 far 0 98 0 - 5.3-6.2 H LEU 70 - HG LEU 100 far 0 76 0 - 6.5-7.3 Violated in 0 structures by 0.00 A. Peak 3250 from aliabs.peaks (3.96, 1.77, 26.16 ppm; 5.08 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 100 + HG LEU 100 OK 100 100 100 100 2.4-2.8 3.7=100 HA THR 65 - HG LEU 100 far 0 99 0 - 8.1-8.7 HB3 SER 107 - HG LEU 100 far 0 100 0 - 8.3-10.7 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 2 assignments used, quality = 1.00: * HB2 LEU 100 + HG LEU 100 OK 100 100 100 100 2.5-2.6 3.0=100 HB3 LEU 103 + HG LEU 100 OK 48 60 100 79 4.4-5.1 3259/2.1=27, 3222/3.7=24...(9) 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 5 assignments used, quality = 1.00: * HB3 LEU 100 + HG LEU 100 OK 100 100 100 100 3.0-3.0 3.0=100 HG LEU 96 + HG LEU 100 OK 58 73 85 93 4.1-5.3 3268/2.1=42...(17) HB2 LEU 96 - HG LEU 100 far 5 99 5 - 5.0-5.9 QB ALA 15 - HG LEU 100 far 0 99 0 - 8.6-36.3 HG3 LYS 95 - HG LEU 100 far 0 96 0 - 10.0-11.2 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): 1 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 far 0 100 0 - 7.0-7.7 QD1 ILE 129 - HG LEU 100 far 0 63 0 - 7.1-8.4 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; 4.12 A increased from 3.66 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 100 + QD2 LEU 100 OK 100 100 100 100 3.9-4.2 7400=99, 7399/2.1=84...(25) H LEU 70 - QD2 LEU 100 far 0 76 0 - 5.3-5.9 H GLU 97 - QD2 LEU 100 far 0 98 0 - 6.4-6.7 H ASP 47 - QD2 LEU 62 far 0 41 0 - 8.8-9.2 H LEU 100 - QD2 LEU 62 far 0 83 0 - 8.9-9.6 H LEU 70 - QD2 LEU 62 far 0 56 0 - 9.9-10.3 Violated in 2 structures by 0.01 A. Peak 3258 from aliabs.peaks (3.96, 0.68, 23.45 ppm; 2.99 A): 1 out of 15 assignments used, quality = 0.99: * HA LEU 100 + QD2 LEU 100 OK 99 100 100 99 2.0-2.5 3225=66, 3.0/3260=44...(23) HA THR 65 - QD2 LEU 100 far 0 99 0 - 5.4-5.9 HB2 SER 51 - QD2 LEU 62 far 0 58 0 - 5.7-6.2 HB3 SER 107 - QD2 LEU 100 far 0 100 0 - 6.0-7.8 HA THR 65 - QD2 LEU 62 far 0 81 0 - 6.0-6.5 HB3 SER 51 - QD2 LEU 62 far 0 68 0 - 6.3-7.1 HA3 GLY 111 - QD2 LEU 62 far 0 64 0 - 7.5-10.1 HA LEU 100 - QD2 LEU 62 far 0 83 0 - 7.6-8.1 HB3 SER 107 - QD2 LEU 62 far 0 82 0 - 7.8-9.3 HB2 SER 106 - QD2 LEU 100 far 0 100 0 - 8.3-10.1 HB3 SER 106 - QD2 LEU 100 far 0 92 0 - 8.4-10.3 HD3 PRO 113 - QD2 LEU 62 far 0 45 0 - 8.7-10.9 HA GLN 127 - QD2 LEU 62 far 0 82 0 - 8.9-9.6 HB2 SER 124 - QD2 LEU 62 far 0 52 0 - 9.7-10.9 HD3 PRO 117 - QD2 LEU 100 far 0 96 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 3259 from aliabs.peaks (1.82, 0.68, 23.45 ppm; 3.23 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 100 + QD2 LEU 100 OK 100 100 100 100 3.1-3.2 3.2=100 HB3 LEU 103 + QD2 LEU 100 OK 37 60 100 61 3.0-3.6 3222/3258=13...(12) HB3 LEU 103 - QD2 LEU 62 far 0 43 0 - 7.3-7.9 HB2 LEU 100 - QD2 LEU 62 far 0 83 0 - 9.1-9.7 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 11 assignments used, quality = 0.99: * HB3 LEU 100 + QD2 LEU 100 OK 99 100 100 99 2.1-2.3 3.2=99 HG LEU 96 - QD2 LEU 100 far 0 73 0 - 5.0-5.8 HB2 LEU 96 - QD2 LEU 100 far 0 99 0 - 5.8-6.6 QB ALA 109 - QD2 LEU 62 far 0 72 0 - 7.2-8.3 QB ALA 15 - QD2 LEU 100 far 0 99 0 - 7.5-29.8 QB ALA 109 - QD2 LEU 100 far 0 93 0 - 8.5-9.4 HB2 LEU 96 - QD2 LEU 62 far 0 80 0 - 8.6-9.3 HB3 LEU 100 - QD2 LEU 62 far 0 83 0 - 8.6-9.2 QB ALA 110 - QD2 LEU 62 far 0 79 0 - 9.1-10.3 QB ALA 108 - QD2 LEU 100 far 0 99 0 - 9.1-9.9 HG LEU 96 - QD2 LEU 62 far 0 54 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 3261 from aliabs.peaks (1.77, 0.68, 23.45 ppm; 3.01 A): 2 out of 10 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 51 83 100 61 3.0-3.6 3224/3258=12...(14) HB3 LEU 122 - QD2 LEU 100 far 0 89 0 - 3.9-5.6 HB3 LEU 122 - QD2 LEU 62 far 0 68 0 - 4.4-7.5 HB2 LEU 48 - QD2 LEU 62 far 0 81 0 - 5.3-5.8 HG LEU 100 - QD2 LEU 62 far 0 83 0 - 7.0-7.7 HB3 LEU 103 - QD2 LEU 62 far 0 62 0 - 7.3-7.9 HB3 LEU 98 - QD2 LEU 100 far 0 97 0 - 8.1-8.8 HB2 LEU 48 - QD2 LEU 100 far 0 99 0 - 8.1-9.0 HG13 ILE 129 - QD2 LEU 100 far 0 60 0 - 8.3-10.9 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 0 83 0 - 6.7-7.3 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 2 assignments used, quality = 1.00: * H GLN 101 + QD2 LEU 100 OK 100 100 100 100 4.4-4.6 3.6/3258=99, 7415/2.1=97...(28) H LYS 95 - QD2 LEU 100 far 0 93 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 3265 from aliabs.peaks (8.49, 0.60, 25.59 ppm; 3.77 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 100 + QD1 LEU 100 OK 100 100 100 100 3.3-3.7 7401=74, 7399/2.1=74...(31) H GLU 97 + QD1 LEU 100 OK 92 98 95 99 4.1-4.4 2.8/10036=57...(25) H LEU 70 + QD1 LEU 100 OK 71 76 100 94 3.6-4.1 11094=43, 4.9/11115=36...(13) H ASP 47 - QD1 LEU 100 far 0 57 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 3266 from aliabs.peaks (3.96, 0.60, 25.59 ppm; 3.84 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 100 + QD1 LEU 100 OK 100 100 100 100 3.8-3.8 3258/2.1=88, 4.0=86...(21) HA THR 65 - QD1 LEU 100 far 0 99 0 - 6.1-6.5 HB3 SER 107 - QD1 LEU 100 far 0 100 0 - 8.5-10.4 HB3 SER 94 - QD1 LEU 100 far 0 99 0 - 8.7-9.1 HB2 SER 124 - QD1 LEU 100 far 0 71 0 - 9.7-11.1 HA GLN 127 - QD1 LEU 100 far 0 100 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 3267 from aliabs.peaks (1.82, 0.60, 25.59 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 100 + QD1 LEU 100 OK 100 100 100 100 2.0-2.2 3.2=100 HB3 LEU 103 - QD1 LEU 100 far 0 60 0 - 5.4-5.8 HB VAL 93 - QD1 LEU 100 far 0 99 0 - 7.8-8.2 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 8 assignments used, quality = 1.00: * HB3 LEU 100 + QD1 LEU 100 OK 100 100 100 100 2.5-2.7 3.2=100 HG LEU 96 + QD1 LEU 100 OK 68 73 100 93 2.7-3.3 11106/11115=31...(28) HB2 LEU 96 - QD1 LEU 100 far 0 99 0 - 4.3-4.8 QB ALA 15 - QD1 LEU 100 far 0 99 0 - 5.6-28.7 QB ALA 16 - QD1 LEU 100 far 0 87 0 - 8.2-31.6 HG3 LYS 95 - QD1 LEU 100 far 0 96 0 - 8.6-9.6 HG2 LYS 95 - QD1 LEU 100 far 0 92 0 - 8.9-9.7 QB ALA 12 - QD1 LEU 100 far 0 93 0 - 9.4-25.1 Violated in 0 structures by 0.00 A. Peak 3269 from aliabs.peaks (1.77, 0.60, 25.59 ppm; 3.42 A): 1 out of 6 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 122 - QD1 LEU 100 far 4 89 5 - 4.0-5.9 HB3 LEU 103 - QD1 LEU 100 far 0 83 0 - 5.4-5.8 HG13 ILE 129 - QD1 LEU 100 far 0 60 0 - 6.7-8.7 HB3 LEU 98 - QD1 LEU 100 far 0 97 0 - 7.1-7.6 HB2 LEU 48 - QD1 LEU 100 far 0 99 0 - 8.7-9.6 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 QD1 ILE 129 - QD1 LEU 100 far 0 63 0 - 5.5-6.4 QD2 LEU 62 - QD1 LEU 100 far 0 100 0 - 6.7-7.3 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 4.1-4.4 7415=100, 3264/2.1=100...(28) H LYS 95 - QD1 LEU 100 far 0 93 0 - 7.3-7.6 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): 1 out of 10 assignments used, quality = 1.00: * HB2 GLN 101 + HA GLN 101 OK 100 100 100 100 2.3-2.5 3.0=100 HB3 GLN 104 - HA GLN 101 far 0 87 0 - 4.8-5.9 HB2 PRO 81 - HA ILE 80 far 0 43 0 - 4.8-4.9 HB2 GLN 104 - HA GLN 101 far 0 89 0 - 4.9-5.7 HB3 GLU 102 - HA GLN 101 far 0 76 0 - 5.5-6.6 HB2 GLN 82 - HA ILE 80 far 0 56 0 - 5.8-8.4 HB3 GLU 97 - HA GLN 101 far 0 93 0 - 6.5-7.7 HB2 PRO 81 - HA CYS 79 far 0 67 0 - 6.6-7.9 HB VAL 133 - HA ILE 80 far 0 46 0 - 7.0-7.6 HB2 GLN 82 - HA CYS 79 far 0 85 0 - 9.6-11.4 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 3 assignments used, quality = 1.00: * HB3 GLN 101 + HA GLN 101 OK 100 100 100 100 2.4-2.7 3.0=100 HG2 GLU 102 - HA GLN 101 far 0 65 0 - 5.4-7.6 HB VAL 132 - HA ILE 80 far 0 40 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 3277 from aliabs.peaks (2.43, 4.11, 58.80 ppm; 3.89 A increased from 3.46 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLN 101 + HA GLN 101 OK 100 100 100 100 3.5-4.0 3.8=100 HG3 GLN 82 - HA ILE 80 far 0 54 0 - 6.1-8.5 HG2 GLN 82 - HA ILE 80 far 0 56 0 - 7.8-9.2 HG3 GLU 97 - HA GLN 101 far 0 68 0 - 8.6-9.8 HG3 GLN 82 - HA CYS 79 far 0 82 0 - 9.8-11.6 Violated in 2 structures by 0.00 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 3.6-3.8 3.8=97, 1.8/3277=73...(16) Violated in 1 structures by 0.00 A. Peak 3283 from aliabs.peaks (2.19, 4.11, 58.80 ppm; 3.61 A): 1 out of 7 assignments used, quality = 0.89: HB2 GLN 101 + HA GLN 101 OK 89 89 100 100 2.3-2.5 3.0=100 HB2 PRO 81 - HA ILE 80 far 0 49 0 - 4.8-4.9 ! HB2 GLN 104 - HA GLN 101 far 0 100 0 - 4.9-5.7 HB2 GLN 82 - HA ILE 80 far 0 42 0 - 5.8-8.4 HB2 PRO 81 - HA CYS 79 far 0 75 0 - 6.6-7.9 HB VAL 133 - HA ILE 80 far 0 57 0 - 7.0-7.6 HB2 GLN 82 - HA CYS 79 far 0 66 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 3284 from aliabs.peaks (2.22, 4.11, 58.80 ppm; 3.79 A): 1 out of 9 assignments used, quality = 0.87: HB2 GLN 101 + HA GLN 101 OK 87 87 100 100 2.3-2.5 3.0=100 ! HB3 GLN 104 - HA GLN 101 far 0 100 0 - 4.8-5.9 HB2 PRO 81 - HA ILE 80 far 0 35 0 - 4.8-4.9 HB3 GLU 102 - HA GLN 101 far 0 100 0 - 5.5-6.6 HB2 GLN 82 - HA ILE 80 far 0 46 0 - 5.8-8.4 HB3 GLU 97 - HA GLN 101 far 0 100 0 - 6.5-7.7 HB2 PRO 81 - HA CYS 79 far 0 57 0 - 6.6-7.9 HG2 GLU 97 - HA GLN 101 far 0 85 0 - 9.3-9.9 HB2 GLN 82 - HA CYS 79 far 0 71 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 3285 from aliabs.peaks (4.11, 2.21, 27.78 ppm; 3.89 A): 1 out of 5 assignments used, quality = 1.00: HA GLN 101 + HB2 GLN 101 OK 100 100 100 100 2.3-2.5 3.0=100 ! HA LEU 98 - HB2 GLN 101 far 0 100 0 - 4.9-5.4 HA LEU 49 - HB3 GLN 127 far 0 68 0 - 7.4-9.1 HA GLN 104 - HB2 GLN 101 far 0 87 0 - 8.1-8.9 HA LEU 48 - HB3 GLN 127 far 0 66 0 - 8.8-10.9 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 1 assignment used, quality = 1.00: * H GLN 101 + HB2 GLN 101 OK 100 100 100 100 3.0-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 3287 from aliabs.peaks (4.11, 2.21, 27.78 ppm; 3.89 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 101 + HB2 GLN 101 OK 100 100 100 100 2.3-2.5 3.0=100 HA LEU 98 - HB2 GLN 101 far 0 100 0 - 4.9-5.4 HA LEU 49 - HB3 GLN 127 far 0 68 0 - 7.4-9.1 HA GLN 104 - HB2 GLN 101 far 0 87 0 - 8.1-8.9 HA LEU 48 - HB3 GLN 127 far 0 66 0 - 8.8-10.9 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 2 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 - 5.5-8.4 Violated in 0 structures by 0.00 A. Peak 3290 from aliabs.peaks (2.43, 2.21, 27.78 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 101 + HB2 GLN 101 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 GLU 128 - HB3 GLN 127 far 0 67 0 - 6.3-7.9 HG3 GLU 97 - HB2 GLN 101 far 0 68 0 - 7.7-9.7 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 2.6-3.0 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 2 assignments used, quality = 1.00: * HE21 GLN 101 + HB2 GLN 101 OK 100 100 100 100 4.1-4.6 4.5=100 HE21 GLN 127 + HB3 GLN 127 OK 35 35 100 100 4.1-4.9 4.5=100 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 2.4-2.7 3.0=100 * HA LEU 98 + HB3 GLN 101 OK 94 100 95 99 3.5-4.7 3157=79, 3155/7418=44...(12) HA GLN 104 - HB3 GLN 101 far 0 87 0 - 8.5-9.3 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 1 assignment used, quality = 1.00: * H GLN 101 + HB3 GLN 101 OK 100 100 100 100 2.2-3.5 4.0=100 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 2.4-2.7 3.0=100 HA LEU 98 + HB3 GLN 101 OK 94 100 95 99 3.5-4.7 3157=79, 3155/7418=44...(12) HA GLN 104 - HB3 GLN 101 far 0 87 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 3298 from aliabs.peaks (2.21, 2.30, 27.78 ppm; 2.94 A): 1 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 far 0 93 0 - 4.6-6.5 HB3 GLU 102 - HB3 GLN 101 far 0 76 0 - 5.0-7.3 HB3 GLN 104 - HB3 GLN 101 far 0 87 0 - 7.1-8.4 HB2 GLN 104 - HB3 GLN 101 far 0 89 0 - 7.2-8.3 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): 1 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 far 0 68 0 - 6.6-8.2 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 2.5-3.0 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 1.9-4.1 4.7=100 H LYS 95 - HG2 GLN 101 far 0 93 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 3306 from aliabs.peaks (4.11, 2.43, 33.53 ppm; 3.79 A increased from 3.20 A): 2 out of 8 assignments used, quality = 1.00: * HA GLN 101 + HG2 GLN 101 OK 100 100 100 100 3.5-4.0 3.8=100 HA LEU 98 + HG2 GLN 101 OK 34 100 35 98 2.2-4.9 3157/2.9=51, 3315/1.8=42...(10) HA ILE 80 - HG3 GLN 82 far 0 78 0 - 6.1-8.5 HA ILE 80 - HG2 GLN 82 far 0 84 0 - 7.8-9.2 HA GLN 104 - HG2 GLN 101 far 0 87 0 - 8.6-9.7 HA PHE 89 - HG3 GLN 82 far 0 72 0 - 8.9-12.9 HA PHE 89 - HG2 GLN 82 far 0 78 0 - 9.2-12.4 HA CYS 79 - HG3 GLN 82 far 0 95 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 3307 from aliabs.peaks (2.21, 2.43, 33.53 ppm; 3.05 A): 3 out of 11 assignments used, quality = 1.00: * HB2 GLN 101 + HG2 GLN 101 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 GLN 82 + HG2 GLN 82 OK 99 99 100 100 2.2-2.8 2.9=100 HB2 GLN 82 + HG3 GLN 82 OK 95 95 100 100 2.2-3.0 2.9=100 HB3 GLU 97 - HG2 GLN 101 far 5 93 5 - 3.6-8.7 HB3 GLU 102 - HG2 GLN 101 far 0 76 0 - 3.8-6.3 HB2 PRO 81 - HG3 GLN 82 far 0 78 0 - 4.8-8.1 HB2 PRO 81 - HG2 GLN 82 far 0 83 0 - 6.1-7.7 HB2 GLN 104 - HG2 GLN 101 far 0 89 0 - 8.1-9.2 HB VAL 133 - HG3 GLN 82 far 0 82 0 - 8.2-12.4 HB3 GLN 104 - HG2 GLN 101 far 0 87 0 - 8.3-9.0 HB VAL 133 - HG2 GLN 82 far 0 88 0 - 9.0-12.1 Violated in 0 structures by 0.00 A. Peak 3308 from aliabs.peaks (2.30, 2.43, 33.53 ppm; 3.04 A increased from 2.86 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLN 101 + HG2 GLN 101 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 GLU 102 - HG2 GLN 101 far 0 65 0 - 3.9-7.8 HB VAL 132 - HG3 GLN 82 far 0 74 0 - 7.1-11.2 HB VAL 132 - HG2 GLN 82 far 0 80 0 - 7.5-10.5 HB3 GLN 134 - HG3 GLN 82 far 0 55 0 - 9.4-12.9 HB3 GLN 134 - HG2 GLN 82 far 0 60 0 - 9.6-12.6 Violated in 0 structures by 0.00 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 2.8-3.9 7450=100, 3322/1.8=100...(17) H ALA 88 - HG2 GLN 82 far 5 99 5 - 7.3-9.7 H ALA 88 - HG3 GLN 82 far 0 95 0 - 7.6-10.8 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 2.1-3.0 7420=100, 3305/1.8=88...(26) H LYS 95 - HG3 GLN 101 far 0 93 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 3315 from aliabs.peaks (4.11, 2.55, 33.53 ppm; 3.64 A increased from 3.23 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 101 + HG3 GLN 101 OK 100 100 100 100 3.6-3.8 3278=91, 3277/1.8=70...(16) HA LEU 98 + HG3 GLN 101 OK 98 100 100 98 2.5-3.9 3157/2.9=47...(11) HA GLN 104 - HG3 GLN 101 far 0 87 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 3316 from aliabs.peaks (2.21, 2.55, 33.53 ppm; 3.13 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 101 + HG3 GLN 101 OK 100 100 100 100 2.6-3.0 2.9=100 HB3 GLU 102 - HG3 GLN 101 poor 14 76 30 60 3.2-4.9 3.8/7451=28, 3.0/3317=8...(15) HB3 GLU 97 - HG3 GLN 101 far 0 93 0 - 4.9-7.6 HB3 GLN 104 - HG3 GLN 101 far 0 87 0 - 7.9-9.1 HB2 GLN 104 - HG3 GLN 101 far 0 89 0 - 8.2-9.0 Violated in 0 structures by 0.00 A. Peak 3317 from aliabs.peaks (2.30, 2.55, 33.53 ppm; 3.12 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 101 + HG3 GLN 101 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 GLU 102 - HG3 GLN 101 poor 20 65 65 46 3.0-6.2 5.0/7451=20, 3.0/3316=6...(16) 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 0 68 0 - 6.1-8.7 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 1.9-2.7 7451=100, 7450/1.8=100...(22) 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): 2 out of 15 assignments used, quality = 1.00: * HB2 GLU 102 + HA GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HB VAL 126 + HA LEU 122 OK 44 54 95 86 4.5-5.4 3917/4.9=23...(15) HB VAL 126 - HA LEU 96 far 0 46 0 - 6.1-6.8 HB VAL 118 - HA GLU 102 far 0 90 0 - 6.3-7.8 HB2 LEU 62 - HA LEU 122 far 0 61 0 - 7.2-10.0 HB2 GLU 128 - HA LEU 122 far 0 91 0 - 7.4-7.9 HB2 GLU 128 - HA LEU 96 far 0 82 0 - 7.7-8.3 HB VAL 118 - HA LEU 122 far 0 78 0 - 7.8-8.5 HG2 PRO 117 - HA GLU 102 far 0 57 0 - 7.9-9.7 HB2 GLU 102 - HA LEU 96 far 0 82 0 - 8.3-10.4 HB2 GLU 102 - HA LEU 122 far 0 91 0 - 8.6-11.4 HB VAL 118 - HA LEU 96 far 0 68 0 - 8.9-9.5 HB2 LEU 62 - HA LEU 96 far 0 53 0 - 9.3-11.1 HG3 PRO 117 - HA GLU 102 far 0 57 0 - 9.3-11.2 HG3 GLU 91 - HA LEU 96 far 0 76 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 3326 from aliabs.peaks (2.23, 4.05, 58.39 ppm; 3.74 A): 2 out of 16 assignments used, quality = 1.00: * HB3 GLU 102 + HA GLU 102 OK 100 100 100 100 2.4-2.9 3.0=100 HB3 LEU 96 + HA LEU 96 OK 71 71 100 100 2.8-2.9 3.0=100 HB3 LEU 96 - HA LEU 122 far 4 81 5 - 4.2-4.8 HB2 GLN 101 - HA GLU 102 far 0 76 0 - 4.5-5.6 HG2 GLU 97 - HA LEU 96 far 0 71 0 - 5.3-5.8 HB3 GLU 97 - HA LEU 96 far 0 77 0 - 6.3-6.6 HB3 GLN 127 - HA LEU 122 far 0 89 0 - 7.1-7.7 HB3 GLN 104 - HA GLU 102 far 0 100 0 - 7.1-7.6 HG2 GLU 97 - HA LEU 122 far 0 81 0 - 7.5-8.5 HB3 GLU 97 - HA LEU 122 far 0 87 0 - 8.1-9.2 HB3 GLU 102 - HA LEU 96 far 0 82 0 - 8.1-10.5 HB3 GLN 127 - HA LEU 96 far 0 80 0 - 8.7-9.7 HB3 GLU 128 - HA LEU 122 far 0 91 0 - 9.0-9.6 HB3 GLU 102 - HA LEU 122 far 0 91 0 - 9.2-11.4 HB3 GLU 128 - HA LEU 96 far 0 81 0 - 9.3-10.0 HB3 GLU 97 - HA GLU 102 far 0 98 0 - 9.5-11.0 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 10 assignments used, quality = 1.00: * HG2 GLU 102 + HA GLU 102 OK 100 100 100 100 3.0-4.0 3.7=100 HB3 GLN 101 - HA GLU 102 far 3 65 5 - 4.2-5.7 HG2 GLU 102 - HA LEU 96 far 0 82 0 - 7.3-10.8 HG2 GLN 127 - HA LEU 122 far 0 79 0 - 7.5-9.9 HG2 GLU 102 - HA LEU 122 far 0 91 0 - 8.1-11.4 HG2 GLU 128 - HA LEU 122 far 0 82 0 - 8.1-10.1 HG2 GLU 128 - HA LEU 96 far 0 73 0 - 8.2-10.2 HB3 GLN 101 - HA LEU 96 far 0 46 0 - 8.6-10.3 HG2 GLN 127 - HA LEU 96 far 0 70 0 - 8.7-12.1 HB3 GLN 101 - HA LEU 122 far 0 54 0 - 9.8-12.1 Violated in 2 structures by 0.01 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 2.8-3.8 3.7=100 HG3 GLN 127 - HA LEU 122 far 0 52 0 - 7.2-8.7 HG3 GLU 102 - HA LEU 96 far 0 82 0 - 8.2-9.7 HG3 GLU 102 - HA LEU 122 far 0 91 0 - 8.4-10.1 HG3 GLN 127 - HA LEU 96 far 0 44 0 - 8.9-11.1 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 5 assignments used, quality = 1.00: * HB VAL 105 + HA GLU 102 OK 100 100 100 100 4.2-4.5 2.1/10086=95, 3465=86...(12) HB3 LEU 96 + HA LEU 122 OK 61 64 100 97 4.2-4.8 3.2/3100=33, 1.8/3067=32...(32) HB3 LEU 96 + HA LEU 96 OK 55 55 100 100 2.8-2.9 3.0=100 HG2 GLU 97 - HA LEU 96 far 0 55 0 - 5.3-5.8 HG2 GLU 97 - HA LEU 122 far 0 64 0 - 7.5-8.5 Violated in 0 structures by 0.00 A. Peak 3332 from aliabs.peaks (4.22, 2.08, 28.62 ppm; 4.41 A increased from 3.92 A): 2 out of 5 assignments used, quality = 1.00: * HA SER 99 + HB2 GLU 102 OK 100 100 100 100 2.8-4.3 3206=89, 3207/1.8=75...(7) HA SER 124 + HB2 GLU 128 OK 46 84 65 84 4.5-5.4 4.9/3986=47, 7838/3.6=34...(7) HA ARG 84 - HB3 GLN 82 far 0 43 0 - 6.7-7.5 HA ALA 88 - HB2 GLU 128 far 0 84 0 - 7.9-9.6 HB3 SER 38 - HB3 GLU 44 far 0 62 0 - 8.2-10.2 Violated in 0 structures by 0.00 A. Peak 3333 from aliabs.peaks (7.86, 2.08, 28.62 ppm; 5.13 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.6-3.4 3.8=100 H GLU 128 + HB2 GLU 128 OK 80 80 100 100 2.1-2.3 3.6=100 H ALA 88 - HB3 GLN 82 far 0 64 0 - 8.5-9.9 H ALA 88 - HB2 GLU 128 far 0 100 0 - 9.9-11.3 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 15 assignments used, quality = 1.00: * HA GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HA GLU 44 + HB3 GLU 44 OK 64 64 100 100 2.3-3.0 3.0=100 HA ALA 92 - HB2 GLU 128 far 0 99 0 - 5.0-6.1 HD3 PRO 81 - HB3 GLN 82 far 0 57 0 - 5.7-7.4 HB THR 65 - HB3 GLN 61 far 0 49 0 - 6.7-7.6 HB THR 65 - HB2 GLN 61 far 0 60 0 - 7.2-7.9 HA LEU 122 - HB2 GLU 128 far 0 98 0 - 7.4-7.9 HA LEU 96 - HB2 GLU 128 far 0 99 0 - 7.7-8.3 HA LEU 119 - HB2 GLU 102 far 0 76 0 - 7.8-11.1 HA LEU 96 - HB2 GLU 102 far 0 100 0 - 8.3-10.4 HA LEU 119 - HB3 GLN 61 far 0 39 0 - 8.6-9.9 HA ILE 37 - HB3 GLU 44 far 0 34 0 - 8.6-10.2 HA LEU 122 - HB2 GLU 102 far 0 98 0 - 8.6-11.4 HA LYS 95 - HB2 GLU 102 far 0 73 0 - 8.8-10.0 HA LYS 95 - HB2 GLU 128 far 0 73 0 - 9.8-10.2 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 14 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 0 99 0 - 4.8-5.9 HB2 GLN 101 - HB2 GLU 102 far 0 76 0 - 5.1-6.5 HB2 PRO 81 - HB3 GLN 82 far 0 38 0 - 5.2-6.0 HB3 LEU 96 - HB2 GLU 128 far 0 93 0 - 6.4-7.4 HG2 GLN 68 - HB3 GLU 44 far 0 58 0 - 6.8-9.8 HG2 GLU 91 - HB2 GLU 128 far 0 86 0 - 7.0-10.4 HB2 GLN 68 - HB3 GLU 44 far 0 61 0 - 7.9-11.0 HB3 GLN 104 - HB2 GLU 102 far 0 100 0 - 8.3-9.4 HB3 GLU 97 - HB2 GLU 102 far 0 98 0 - 8.6-10.4 HB3 GLN 104 - HB3 GLN 61 far 0 59 0 - 9.2-10.3 HB3 GLN 104 - HB2 GLN 61 far 0 71 0 - 9.6-10.7 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 8 assignments used, quality = 1.00: * HG2 GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.2-2.6 3.0=100 HG2 GLU 128 + HB2 GLU 128 OK 94 94 100 100 2.2-3.0 3.0=100 HG2 GLU 44 + HB3 GLU 44 OK 59 59 100 100 2.2-2.9 3.0=100 HG2 GLN 127 - HB2 GLU 128 poor 20 91 40 53 3.0-7.2 7846/3.6=20, 4081/3.0=13...(9) HB3 GLN 101 - HB2 GLU 102 far 0 65 0 - 4.9-6.6 HG3 GLN 68 - HB3 GLU 44 far 0 62 0 - 7.0-8.7 HB2 PRO 117 - HB2 GLU 102 far 0 57 0 - 8.6-11.5 HB3 GLN 134 - HB3 GLN 82 far 0 64 0 - 9.1-12.5 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 5 assignments used, quality = 1.00: * HG3 GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 GLU 44 + HB3 GLU 44 OK 43 43 100 100 2.2-2.9 3.0=100 HG3 GLN 127 - HB2 GLU 128 poor 17 62 40 68 4.5-7.2 4076/3.6=22, ~4081=13...(12) HG3 MET 11 - HB3 GLN 82 far 0 64 0 - 9.0-49.8 HG3 MET 11 - HB2 GLU 128 far 0 100 0 - 9.1-48.6 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 2.9-4.4 4.6=100 Violated in 0 structures by 0.00 A. Peak 3340 from aliabs.peaks (4.22, 2.23, 28.62 ppm; 4.52 A increased from 4.25 A): 2 out of 7 assignments used, quality = 1.00: * HA SER 99 + HB3 GLU 102 OK 100 100 100 100 2.5-4.6 3207=99, 3206/1.8=77...(10) HA SER 94 + HB3 GLU 97 OK 83 83 100 100 4.5-4.9 11457/2.9=70...(9) HA SER 124 - HB3 GLU 128 far 8 83 10 - 5.1-6.1 HA HIS 67 - HB2 GLN 68 far 0 42 0 - 5.6-6.6 HA HIS 67 - HB3 GLU 97 far 0 78 0 - 5.6-7.0 HA SER 99 - HB3 GLU 97 far 0 93 0 - 7.4-8.5 HA ALA 88 - HB3 GLU 128 far 0 83 0 - 7.7-8.6 Violated in 0 structures by 0.00 A. Peak 3341 from aliabs.peaks (7.86, 2.23, 28.62 ppm; 4.94 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.1-3.7 3.8=100 H GLU 128 + HB3 GLU 128 OK 79 79 100 100 3.1-3.6 3.6=100 H GLN 68 + HB2 GLN 68 OK 52 52 100 100 2.1-3.6 3.7=100 H GLU 102 - HB3 GLU 97 far 0 93 0 - 6.9-8.3 H GLN 68 - HB3 GLU 97 far 0 92 0 - 8.9-10.4 H ALA 88 - HB3 GLU 128 far 0 100 0 - 9.5-10.4 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 17 assignments used, quality = 1.00: * HA GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.4-2.9 3.0=100 HB THR 65 - HB2 GLN 68 far 0 43 0 - 5.9-7.9 HA ALA 92 - HB3 GLU 128 far 0 99 0 - 6.0-6.7 HA LYS 95 - HB3 GLU 97 far 0 63 0 - 6.2-6.9 HA LEU 96 - HB3 GLU 97 far 0 92 0 - 6.3-6.6 HB2 SER 74 - HB3 GLU 97 far 0 91 0 - 6.9-9.0 HB3 SER 74 - HB3 GLU 97 far 0 87 0 - 7.6-9.5 HA LEU 122 - HB3 GLU 97 far 0 89 0 - 8.1-9.2 HA LEU 96 - HB3 GLU 102 far 0 100 0 - 8.1-10.5 HA LYS 95 - HB3 GLU 102 far 0 73 0 - 8.3-10.8 HA LEU 122 - HB3 GLU 128 far 0 97 0 - 9.0-9.6 HA LEU 119 - HB3 GLU 102 far 0 76 0 - 9.0-10.2 HA LEU 122 - HB3 GLU 102 far 0 98 0 - 9.2-11.4 HA ILE 37 - HB2 GLN 68 far 0 27 0 - 9.3-12.4 HA LEU 96 - HB3 GLU 128 far 0 99 0 - 9.3-10.0 HA GLU 102 - HB3 GLU 97 far 0 93 0 - 9.5-11.0 HA GLU 44 - HB2 GLN 68 far 0 51 0 - 9.9-11.2 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 10 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 HB VAL 118 - HB3 GLU 102 far 0 90 0 - 5.0-6.7 HG2 PRO 117 - HB3 GLU 102 far 0 57 0 - 5.6-7.9 HG3 GLU 91 - HB3 GLU 128 far 0 96 0 - 6.7-9.7 HG3 PRO 117 - HB3 GLU 102 far 0 57 0 - 7.0-9.5 HB VAL 126 - HB3 GLU 128 far 0 64 0 - 7.8-8.4 HB3 GLU 44 - HB2 GLN 68 far 0 50 0 - 7.9-11.0 HB2 GLU 102 - HB3 GLU 97 far 0 93 0 - 8.6-10.4 HG3 GLN 134 - HB3 GLU 128 far 0 99 0 - 8.9-12.1 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): 4 out of 10 assignments used, quality = 1.00: * HG2 GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 128 + HB3 GLU 128 OK 93 93 100 100 2.2-3.0 3.0=100 HG3 GLN 68 + HB2 GLN 68 OK 50 50 100 100 2.3-3.0 3.0=100 HG2 GLN 127 + HB3 GLU 128 OK 26 91 40 70 3.6-7.9 7846/3.6=31, 4081/3.0=19...(10) HB3 GLN 101 - HB3 GLU 97 lone 6 56 70 15 4.6-6.5 3157/3156=14 HB3 GLN 101 - HB3 GLU 102 far 3 65 5 - 5.0-7.3 HG2 GLU 102 - HB3 GLU 97 far 0 93 0 - 7.6-11.8 HB2 PRO 117 - HB3 GLU 102 far 0 57 0 - 8.6-10.7 HG2 GLU 44 - HB2 GLN 68 far 0 47 0 - 8.8-11.8 HB3 GLN 134 - HB3 GLU 128 far 0 100 0 - 9.8-12.3 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 5 assignments used, quality = 1.00: * HG3 GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLN 127 - HB3 GLU 128 far 0 61 0 - 5.1-8.1 HG3 GLU 102 - HB3 GLU 97 far 0 93 0 - 7.6-10.7 HG3 MET 11 - HB3 GLU 128 far 0 100 0 - 8.6-49.2 HG3 MET 11 - HB3 GLU 97 far 0 93 0 - 9.4-36.1 Violated in 0 structures by 0.00 A. Peak 3347 from aliabs.peaks (8.08, 2.23, 28.62 ppm; 5.30 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 103 + HB3 GLU 102 OK 100 100 100 100 3.3-4.2 4.6=100 H LEU 103 - HB3 GLU 97 far 0 93 0 - 8.4-9.5 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 1.9-4.4 5.0=100 Violated in 0 structures by 0.00 A. Peak 3349 from aliabs.peaks (4.05, 2.33, 34.64 ppm; 3.79 A increased from 3.57 A): 2 out of 7 assignments used, quality = 1.00: * HA GLU 102 + HG2 GLU 102 OK 100 100 100 100 3.0-4.0 3.7=100 HA GLU 44 + HG2 GLU 44 OK 84 84 100 100 3.5-3.8 3.7=100 HA LEU 96 - HG2 GLU 102 far 0 100 0 - 7.3-10.8 HA LYS 95 - HG2 GLU 102 far 0 73 0 - 7.7-11.2 HA ILE 37 - HG2 GLU 44 far 0 48 0 - 8.1-9.3 HA LEU 122 - HG2 GLU 102 far 0 98 0 - 8.1-11.4 HA LEU 119 - HG2 GLU 102 far 0 76 0 - 8.3-9.8 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 7 assignments used, quality = 1.00: * HB2 GLU 102 + HG2 GLU 102 OK 100 100 100 100 2.2-2.6 3.0=100 HB3 GLU 44 + HG2 GLU 44 OK 83 83 100 100 2.2-2.9 3.0=100 HB VAL 118 - HG2 GLU 102 far 0 90 0 - 5.3-6.5 HG2 PRO 117 - HG2 GLU 102 far 0 57 0 - 5.4-8.1 HG3 PRO 117 - HG2 GLU 102 far 0 57 0 - 6.8-9.8 HB3 LYS 39 - HG2 GLU 44 far 0 86 0 - 7.8-8.9 HG3 GLN 134 - HG2 GLU 44 far 0 86 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 3351 from aliabs.peaks (2.23, 2.33, 34.64 ppm; 4.74 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLU 102 + HG2 GLU 102 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 101 - HG2 GLU 102 far 0 76 0 - 5.5-8.4 HG2 GLN 68 - HG2 GLU 44 far 0 78 0 - 7.6-10.7 HB3 GLU 97 - HG2 GLU 102 far 0 98 0 - 7.6-11.8 HB3 GLN 104 - HG2 GLU 102 far 0 100 0 - 8.3-10.3 HB2 GLN 68 - HG2 GLU 44 far 0 82 0 - 8.8-11.8 HG2 GLU 97 - HG2 GLU 102 far 0 93 0 - 9.5-13.4 HB3 LEU 96 - HG2 GLU 102 far 0 93 0 - 9.8-13.4 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 2 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 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 2.8-3.8 3.7=100 HA LEU 119 - HG3 GLU 102 far 0 76 0 - 7.6-10.3 HA LEU 96 - HG3 GLU 102 far 0 100 0 - 8.2-9.7 HA LEU 122 - HG3 GLU 102 far 0 98 0 - 8.4-10.1 HA LYS 95 - HG3 GLU 102 far 0 73 0 - 8.4-10.5 Violated in 0 structures by 0.00 A. Peak 3357 from aliabs.peaks (2.08, 2.51, 34.64 ppm; 3.98 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 102 + HG3 GLU 102 OK 100 100 100 100 2.6-3.0 3.0=100 HB VAL 118 + HG3 GLU 102 OK 63 90 70 100 4.2-7.1 2.1/10267=70...(17) HG2 PRO 117 - HG3 GLU 102 far 0 57 0 - 5.7-8.9 HG3 PRO 117 - HG3 GLU 102 far 0 57 0 - 7.2-10.5 HB2 LEU 62 - HG3 GLU 102 far 0 73 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 3358 from aliabs.peaks (2.23, 2.51, 34.64 ppm; 3.87 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 102 + HG3 GLU 102 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 101 - HG3 GLU 102 far 4 76 5 - 4.3-8.0 HB3 GLU 97 - HG3 GLU 102 far 0 98 0 - 7.6-10.7 HB3 GLN 104 - HG3 GLU 102 far 0 100 0 - 8.1-9.1 HG2 GLU 97 - HG3 GLU 102 far 0 93 0 - 9.8-12.3 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 3 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 - 4.4-7.5 HB2 PRO 117 - HG3 GLU 102 far 0 57 0 - 8.5-11.6 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 2.4-2.5 3.0=100 HG LEU 103 + HA LEU 103 OK 87 87 100 100 2.9-3.4 4.3=100 HG LEU 122 - HA LEU 103 far 0 65 0 - 6.2-7.9 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 5 assignments used, quality = 1.00: * HB3 LEU 103 + HA LEU 103 OK 100 100 100 100 3.0-3.0 3.0=100 HG LEU 100 - HA LEU 103 far 0 83 0 - 7.1-7.8 HB2 LEU 100 - HA LEU 103 far 0 60 0 - 7.5-7.9 HB3 LEU 122 - HA LEU 103 far 0 100 0 - 7.8-9.2 HB3 LEU 98 - HA LEU 103 far 0 97 0 - 8.9-11.4 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 2.9-3.4 4.3=95, 2.1/3367=89...(17) HB2 LEU 103 + HA LEU 103 OK 87 87 100 100 2.4-2.5 3.0=100 HB2 LEU 119 - HA LEU 103 far 0 93 0 - 7.7-8.9 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 = 0.99: * QD1 LEU 103 + HA LEU 103 OK 99 100 100 99 2.0-2.3 3397=66, 3398/3.0=31...(18) QD2 LEU 122 - HA LEU 103 far 0 100 0 - 4.7-6.8 QD2 LEU 119 - HA LEU 103 far 0 99 0 - 5.4-6.7 QD1 LEU 122 - HA LEU 103 far 0 71 0 - 5.4-7.8 QG1 VAL 63 - HA LEU 103 far 0 100 0 - 5.5-6.4 QD2 LEU 49 - HA LEU 103 far 0 90 0 - 8.4-9.2 QD1 LEU 96 - HA LEU 103 far 0 99 0 - 8.5-9.6 QD1 LEU 53 - HA LEU 103 far 0 96 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 3368 from aliabs.peaks (0.73, 4.01, 57.03 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 103 + HA LEU 103 OK 100 100 100 100 3.9-4.0 4.1=100 Violated in 0 structures by 0.00 A. Peak 3370 from aliabs.peaks (3.96, 1.58, 42.10 ppm; 4.64 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 100 + HB2 LEU 103 OK 99 100 100 99 2.9-3.4 7463/7473=62, 3229=52...(19) HB3 SER 107 + HB2 LEU 103 OK 71 100 80 89 3.7-6.6 10106/3.2=57...(14) HB2 SER 106 - HB2 LEU 103 far 5 100 5 - 5.2-7.7 HB3 SER 106 - HB2 LEU 103 far 0 92 0 - 5.5-7.6 HD3 PRO 117 - HB2 LEU 103 far 0 96 0 - 7.2-8.1 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 2.4-2.5 3.0=100 HB3 SER 99 + HB2 LEU 103 OK 34 89 80 48 3.8-5.4 11475/10261=20...(6) HA LEU 119 - HB2 LEU 103 far 14 97 15 - 4.4-5.7 HA SER 60 - HB2 LEU 103 far 0 100 0 - 6.7-8.1 HA LEU 122 - HB2 LEU 103 far 0 71 0 - 7.1-8.1 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 5 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 0 83 0 - 4.8-5.7 HB3 LEU 122 - HB2 LEU 103 far 0 100 0 - 5.6-6.9 HB2 LEU 100 - HB2 LEU 103 far 0 60 0 - 5.7-6.4 HB3 LEU 98 - HB2 LEU 103 far 0 97 0 - 8.2-10.6 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): 3 out of 8 assignments used, quality = 1.00: * QD1 LEU 103 + HB2 LEU 103 OK 100 100 100 100 2.2-2.4 3.2=100 QD2 LEU 122 + HB2 LEU 103 OK 26 100 40 65 2.7-4.9 11612/10261=12, ~3895=8...(24) QD1 LEU 122 + HB2 LEU 103 OK 25 71 65 55 3.4-5.8 3895/1.8=8, 3409/3.1=7...(20) QG1 VAL 63 - HB2 LEU 103 far 0 100 0 - 4.8-5.6 QD2 LEU 119 - HB2 LEU 103 far 0 99 0 - 4.8-6.3 QD2 LEU 49 - HB2 LEU 103 far 0 90 0 - 6.5-7.2 QD1 LEU 96 - HB2 LEU 103 far 0 99 0 - 6.6-7.6 QD1 LEU 53 - HB2 LEU 103 far 0 96 0 - 7.0-8.8 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 2.3-2.6 3.1=100 QD2 LEU 96 - HB2 LEU 103 far 0 90 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 3379 from aliabs.peaks (3.96, 1.79, 42.10 ppm; 5.98 A): 4 out of 13 assignments used, quality = 1.00: * HA LEU 100 + HB3 LEU 103 OK 100 100 100 100 2.2-2.6 7463/7474=89...(20) HB3 SER 107 + HB3 LEU 103 OK 98 100 100 98 3.8-6.4 10106/3.2=73...(15) HA LEU 100 + HB3 LEU 122 OK 92 94 100 98 4.4-6.6 11489/3.1=37, ~10026=32...(20) HB2 SER 106 + HB3 LEU 103 OK 77 100 80 97 5.9-8.2 11536/1.8=77...(9) HB3 SER 106 - HB3 LEU 103 poor 18 92 20 - 6.1-8.3 HB3 SER 94 - HB3 LEU 98 far 4 72 5 - 6.1-8.0 HB2 SER 124 - HB3 LEU 122 far 0 62 0 - 7.3-8.3 HA LEU 100 - HB3 LEU 98 far 0 76 0 - 7.5-8.4 HA GLN 127 - HB3 LEU 122 far 0 94 0 - 8.7-10.5 HD3 PRO 117 - HB3 LEU 103 far 0 96 0 - 8.7-9.7 HB3 SER 107 - HB3 LEU 122 far 0 93 0 - 9.2-11.5 HA THR 65 - HB3 LEU 122 far 0 93 0 - 9.2-10.7 HB2 SER 106 - HB3 LEU 98 far 0 75 0 - 9.6-14.6 Violated in 0 structures by 0.00 A. Peak 3381 from aliabs.peaks (4.01, 1.79, 42.10 ppm; 6.80 A): 11 out of 18 assignments used, quality = 1.00: * HA LEU 103 + HB3 LEU 103 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 119 + HB3 LEU 103 OK 91 97 100 94 5.7-6.8 ~11426=63, 3759/3.2=39...(8) HA LEU 119 + HB3 LEU 122 OK 88 88 100 100 3.6-5.0 3764=94, 3762/3.5=87...(11) HB3 SER 99 + HB3 LEU 122 OK 79 79 100 100 3.5-6.2 11702/3.1=75, ~11481=71...(23) HA SER 60 + HB3 LEU 103 OK 74 100 100 74 5.6-7.0 10978/10963=41...(6) HB3 SER 99 + HB3 LEU 103 OK 73 89 100 82 4.8-6.5 4.5/11730=36...(9) HA LYS 95 + HB3 LEU 98 OK 70 70 100 100 4.1-4.6 11372/3.1=100...(23) HA LEU 122 + HB3 LEU 122 OK 62 62 100 100 2.4-3.0 3.0=100 HB3 SER 99 + HB3 LEU 98 OK 60 61 100 98 5.1-7.2 ~11480=84, 3.7/7378=60...(8) HB3 SER 124 + HB3 LEU 122 OK 32 94 55 62 7.0-8.0 3974/10323=44...(4) HA SER 50 + HB3 LEU 122 OK 21 77 95 29 6.1-9.8 10373/3903=16...(3) HB2 SER 124 - HB3 LEU 122 far 6 62 10 - 7.3-8.3 HA LYS 95 - HB3 LEU 122 far 4 89 5 - 7.3-10.2 HA LEU 122 - HB3 LEU 98 far 0 46 0 - 7.4-9.8 HA LEU 122 - HB3 LEU 103 far 0 71 0 - 7.8-8.9 HA LEU 103 - HB3 LEU 122 far 0 94 0 - 7.8-9.2 HA LEU 103 - HB3 LEU 98 far 0 76 0 - 8.9-11.4 HA SER 60 - HB3 LEU 122 far 0 93 0 - 9.8-11.4 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 11 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 2.4-2.6 3.0=100 HG LEU 122 + HB3 LEU 122 OK 57 57 100 100 2.2-2.8 3.0=100 HG LEU 122 - HB3 LEU 103 far 0 65 0 - 4.8-6.5 HG LEU 49 - HB3 LEU 122 far 0 93 0 - 5.3-8.0 HB2 LEU 103 - HB3 LEU 122 far 0 94 0 - 5.6-6.9 HG LEU 123 - HB3 LEU 122 far 0 88 0 - 6.3-8.1 HG LEU 103 - HB3 LEU 122 far 0 77 0 - 7.2-8.4 HG LEU 122 - HB3 LEU 98 far 0 42 0 - 8.0-10.2 HB2 LEU 103 - HB3 LEU 98 far 0 76 0 - 8.2-10.6 HG LEU 49 - HB3 LEU 103 far 0 100 0 - 9.1-10.0 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): 2 out of 10 assignments used, quality = 1.00: * HG LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.4-2.6 3.0=100 HB2 LEU 103 + HB3 LEU 103 OK 87 87 100 100 1.8-1.8 1.8=100 HG LEU 49 - HB3 LEU 122 far 4 86 5 - 5.3-8.0 HB2 LEU 119 - HB3 LEU 122 far 0 84 0 - 5.5-7.2 HB2 LEU 103 - HB3 LEU 122 far 0 77 0 - 5.6-6.9 HG LEU 123 - HB3 LEU 122 far 0 92 0 - 6.3-8.1 HG LEU 103 - HB3 LEU 122 far 0 94 0 - 7.2-8.4 HB2 LEU 119 - HB3 LEU 103 far 0 93 0 - 7.5-8.8 HB2 LEU 103 - HB3 LEU 98 far 0 59 0 - 8.2-10.6 HG LEU 49 - HB3 LEU 103 far 0 95 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 3385 from aliabs.peaks (0.78, 1.79, 42.10 ppm; 5.50 A): 12 out of 21 assignments used, quality = 1.00: * QD1 LEU 103 + HB3 LEU 103 OK 100 100 100 100 3.2-3.2 3.2=100 QG1 VAL 63 + HB3 LEU 103 OK 100 100 100 100 3.2-4.2 10965/3.0=82...(34) QD2 LEU 122 + HB3 LEU 122 OK 93 93 100 100 2.0-3.2 3.1=100 QD1 LEU 96 + HB3 LEU 122 OK 91 91 100 100 3.4-4.7 9986/11653=46...(40) QD2 LEU 122 + HB3 LEU 103 OK 86 100 100 86 3.0-5.5 2.1/3895=18, 3376/1.8=17...(21) QD1 LEU 103 + HB3 LEU 122 OK 70 94 90 83 5.3-6.3 3759/3764=33...(18) QD1 LEU 53 + HB3 LEU 122 OK 67 87 95 81 2.3-6.4 3907/4.3=41, 3900/3.5=28...(8) QD1 LEU 122 + HB3 LEU 122 OK 62 62 100 100 2.4-3.2 3.1=100 QD1 LEU 122 + HB3 LEU 103 OK 59 71 100 83 3.3-6.1 3376/1.8=17, ~3376=15...(21) QD2 LEU 49 + HB3 LEU 122 OK 41 81 100 51 2.7-4.8 11614/11678=14...(9) QD2 LEU 119 + HB3 LEU 122 OK 38 91 50 83 5.6-7.1 3790/3764=82 QD2 LEU 122 + HB3 LEU 98 OK 36 74 75 65 5.6-8.3 11382/4.6=36...(8) QD2 LEU 119 - HB3 LEU 103 far 10 99 10 - 5.5-6.9 QD1 LEU 122 - HB3 LEU 98 far 2 46 5 - 5.6-9.0 QD2 LEU 49 - HB3 LEU 103 far 0 90 0 - 6.4-7.1 QD1 LEU 96 - HB3 LEU 103 far 0 99 0 - 6.4-7.5 QG1 VAL 63 - HB3 LEU 122 far 0 94 0 - 7.2-8.0 QD1 LEU 53 - HB3 LEU 103 far 0 96 0 - 7.5-9.3 QD1 LEU 96 - HB3 LEU 98 far 0 72 0 - 7.6-8.5 QD1 LEU 103 - HB3 LEU 98 far 0 76 0 - 8.8-11.2 QG1 VAL 63 - HB3 LEU 98 far 0 75 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 3386 from aliabs.peaks (0.73, 1.79, 42.10 ppm; 6.00 A): 3 out of 9 assignments used, quality = 1.00: * QD2 LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.1-2.4 3.1=100 QD2 LEU 103 + HB3 LEU 122 OK 77 94 100 82 4.0-5.1 3405/3764=29...(16) QD2 LEU 96 + HB3 LEU 122 OK 73 81 90 100 5.8-7.1 ~3100=35, ~3084=30...(42) QG1 VAL 93 - HB3 LEU 98 far 0 61 0 - 7.8-8.6 QG1 VAL 93 - HB3 LEU 122 far 0 79 0 - 8.0-9.7 QD2 LEU 96 - HB3 LEU 98 far 0 62 0 - 8.1-8.8 HG12 ILE 129 - HB3 LEU 122 far 0 86 0 - 8.5-10.2 QD2 LEU 103 - HB3 LEU 98 far 0 76 0 - 8.7-10.4 QD2 LEU 96 - HB3 LEU 103 far 0 90 0 - 9.0-9.7 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 18 assignments used, quality = 1.00: * HA LEU 103 + HG LEU 103 OK 100 100 100 100 2.9-3.4 4.3=86, 3367/2.1=86...(17) HB3 SER 124 + HG LEU 123 OK 88 96 100 92 3.2-4.2 10372/2.1=51...(10) HA SER 50 + HG LEU 123 OK 44 80 55 99 4.2-5.1 11636/2.1=74...(22) HA SER 60 + HG LEU 103 OK 23 100 55 42 3.8-5.5 10978/10965=18, 1077=11...(6) HA VAL 20 + HG2 ARG 23 OK 21 64 45 71 3.6-7.2 11783/6205=33...(11) HB2 SER 124 - HG LEU 123 far 3 64 5 - 4.6-5.5 HA LEU 119 - HG LEU 103 far 0 97 0 - 5.8-6.4 HA SER 50 - HG LEU 49 far 0 66 0 - 6.3-6.5 HB3 SER 99 - HG LEU 103 far 0 89 0 - 6.6-8.4 HA LEU 122 - HG LEU 123 far 0 64 0 - 6.8-7.4 HA LEU 122 - HG LEU 49 far 0 52 0 - 7.0-8.7 HA LEU 119 - HG LEU 123 far 0 91 0 - 7.5-8.3 HA LEU 119 - HG LEU 49 far 0 77 0 - 7.9-8.3 HA GLN 68 - HG LEU 49 far 0 75 0 - 8.6-8.9 HA LEU 122 - HG LEU 103 far 0 71 0 - 9.0-10.3 HB3 SER 99 - HG LEU 49 far 0 68 0 - 9.4-11.3 HB3 SER 99 - HG LEU 123 far 0 82 0 - 9.5-10.8 HA GLU 44 - HG LEU 49 far 0 48 0 - 9.9-10.5 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 17 assignments used, quality = 1.00: * HB3 LEU 103 + HG LEU 103 OK 100 100 100 100 2.4-2.6 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 far 0 73 0 - 3.9-4.7 HB3 LYS 24 - HG2 ARG 23 far 0 71 0 - 4.7-7.9 HB3 LYS 31 - HG2 ARG 23 far 0 75 0 - 5.2-20.8 HB3 LEU 122 - HG LEU 49 far 0 83 0 - 5.3-8.0 HB3 LYS 19 - HG2 ARG 23 far 0 84 0 - 5.8-11.6 HG LEU 100 - HG LEU 103 far 0 83 0 - 6.2-7.2 HB3 LEU 122 - HG LEU 123 far 0 96 0 - 6.3-8.1 HB ILE 32 - HG2 ARG 23 far 0 77 0 - 6.5-17.4 HG LEU 100 - HG LEU 49 far 0 62 0 - 6.8-7.4 HB2 LEU 100 - HG LEU 103 far 0 60 0 - 7.1-8.0 HB3 LEU 122 - HG LEU 103 far 0 100 0 - 7.2-8.4 HB3 LYS 26 - HG2 ARG 23 far 0 69 0 - 7.6-12.4 HB2 LYS 36 - HG2 ARG 23 far 0 64 0 - 8.2-21.3 HB2 LEU 100 - HG LEU 49 far 0 43 0 - 9.0-9.7 HB3 LEU 103 - HG LEU 49 far 0 83 0 - 9.1-10.0 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): 2 out of 25 assignments used, quality = 1.00: * QD1 LEU 103 + HG LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 49 + HG LEU 49 OK 70 70 100 100 2.1-2.1 2.1=100 QG1 VAL 63 - HG LEU 103 far 5 100 5 - 3.6-4.9 QD1 LEU 53 - HG LEU 49 far 0 75 0 - 3.7-4.6 QD1 LEU 53 - HG LEU 123 far 0 89 0 - 3.7-5.4 QD1 LEU 122 - HG LEU 49 far 0 52 0 - 4.0-6.7 QD1 LEU 122 - HG LEU 103 far 0 71 0 - 4.2-7.3 QD2 LEU 119 - HG LEU 103 far 0 99 0 - 4.3-5.4 QD2 LEU 122 - HG LEU 103 far 0 100 0 - 4.4-6.9 QD1 LEU 96 - HG LEU 49 far 0 80 0 - 4.8-5.4 QD1 LEU 122 - HG LEU 123 far 0 64 0 - 5.2-8.4 QD2 LEU 122 - HG LEU 49 far 0 82 0 - 5.4-6.9 QD1 ILE 32 - HG2 ARG 23 far 0 86 0 - 6.4-13.7 QD2 LEU 49 - HG LEU 123 far 0 83 0 - 6.7-7.5 QD2 LEU 49 - HG LEU 103 far 0 90 0 - 6.8-7.9 QD2 LEU 122 - HG LEU 123 far 0 95 0 - 7.1-8.0 QG1 VAL 63 - HG LEU 49 far 0 83 0 - 7.1-7.7 QD1 ILE 37 - HG2 ARG 23 far 0 86 0 - 7.2-19.1 QD1 LEU 53 - HG LEU 103 far 0 96 0 - 7.5-9.3 QD1 LEU 96 - HG LEU 103 far 0 99 0 - 7.7-8.9 QD2 LEU 119 - HG LEU 49 far 0 80 0 - 7.7-8.5 QD1 LEU 96 - HG LEU 123 far 0 93 0 - 7.8-8.8 QD1 LEU 103 - HG LEU 49 far 0 83 0 - 8.0-9.0 QD2 LEU 119 - HG LEU 123 far 0 93 0 - 8.2-8.9 QD1 LEU 103 - HG LEU 123 far 0 96 0 - 9.7-10.8 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 8 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 49 far 0 83 0 - 5.9-6.7 QD2 LEU 96 - HG LEU 49 far 0 70 0 - 6.2-7.6 HG12 ILE 129 - HG LEU 49 far 0 74 0 - 8.5-11.7 HG12 ILE 129 - HG LEU 123 far 0 88 0 - 8.9-10.8 QD2 LEU 96 - HG LEU 123 far 0 83 0 - 9.0-10.4 QD2 LEU 103 - HG LEU 123 far 0 96 0 - 9.0-10.2 QG1 VAL 93 - HG LEU 49 far 0 68 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 3397 from aliabs.peaks (4.01, 0.78, 24.12 ppm; 3.01 A): 2 out of 7 assignments used, quality = 0.99: * HA LEU 103 + QD1 LEU 103 OK 98 100 100 98 2.0-2.3 3367=71, 3368/2.1=40...(17) HA LEU 119 + QD1 LEU 103 OK 51 97 80 66 3.0-4.0 3759=29, 2.8/11426=16...(11) HA SER 60 - QD1 LEU 103 far 0 100 0 - 4.4-6.2 HB3 SER 99 - QD1 LEU 103 far 0 89 0 - 4.6-6.4 HA LEU 122 - QD1 LEU 103 far 0 71 0 - 7.1-8.0 HB3 SER 124 - QD1 LEU 103 far 0 100 0 - 9.9-10.9 HA SER 50 - QD1 LEU 103 far 0 87 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 3398 from aliabs.peaks (1.58, 0.78, 24.12 ppm; 3.25 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 103 + QD1 LEU 103 OK 100 100 100 100 2.2-2.4 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 - 4.3-6.1 HG LEU 49 - QD1 LEU 103 far 0 100 0 - 8.0-9.0 HG LEU 123 - QD1 LEU 103 far 0 97 0 - 9.7-10.8 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 5 assignments used, quality = 1.00: * HB3 LEU 103 + QD1 LEU 103 OK 100 100 100 100 3.2-3.2 3.2=100 HB3 LEU 122 - QD1 LEU 103 far 0 100 0 - 5.3-6.3 HG LEU 100 - QD1 LEU 103 far 0 83 0 - 5.7-6.8 HB2 LEU 100 - QD1 LEU 103 far 0 60 0 - 6.9-7.5 HB3 LEU 98 - QD1 LEU 103 far 0 97 0 - 8.8-11.2 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 5 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 2.2-2.4 3.2=65, 3.0/3367=34...(19) HB2 LEU 119 - QD1 LEU 103 far 0 93 0 - 4.0-5.2 HG LEU 49 - QD1 LEU 103 far 0 95 0 - 8.0-9.0 HG LEU 123 - QD1 LEU 103 far 0 99 0 - 9.7-10.8 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 2 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 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 3405 from aliabs.peaks (4.01, 0.73, 25.24 ppm; 3.77 A increased from 3.35 A): 3 out of 9 assignments used, quality = 1.00: * HA LEU 103 + QD2 LEU 103 OK 100 100 100 100 3.9-4.0 3368=87, 3367/2.1=79...(17) HA LEU 119 + QD2 LEU 103 OK 70 97 100 72 3.2-3.7 3759/2.1=31, ~11426=22...(10) HA SER 60 + QD2 LEU 103 OK 20 100 40 51 3.9-4.8 10977/11832=22...(8) HB3 SER 99 - QD2 LEU 103 poor 8 89 25 36 4.2-6.0 11475/11822=17...(7) HA LEU 122 - QD2 LEU 103 far 0 71 0 - 5.6-7.0 HA SER 50 - QD2 LEU 103 far 0 87 0 - 8.6-9.5 HB3 SER 124 - QD2 LEU 103 far 0 100 0 - 9.5-10.7 HB2 SER 124 - QD2 LEU 103 far 0 71 0 - 9.8-10.9 HA LYS 95 - QD2 LEU 103 far 0 97 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 3406 from aliabs.peaks (1.58, 0.73, 25.24 ppm; 3.43 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.3-2.6 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 OK 28 65 95 45 2.7-4.5 3.0/3386=11, 2.1/3409=8...(19) HG LEU 49 - QD2 LEU 103 far 0 100 0 - 5.9-6.7 HG LEU 123 - QD2 LEU 103 far 0 97 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 3407 from aliabs.peaks (1.79, 0.73, 25.24 ppm; 3.34 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.1-2.4 3.1=100 HG LEU 100 - QD2 LEU 103 poor 17 83 20 - 3.6-4.5 HB3 LEU 122 - QD2 LEU 103 far 0 100 0 - 4.0-5.1 HB2 LEU 100 - QD2 LEU 103 far 0 60 0 - 5.1-5.6 HB3 LEU 98 - QD2 LEU 103 far 0 97 0 - 8.7-10.4 HB2 LEU 48 - QD2 LEU 103 far 0 93 0 - 8.9-9.7 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 2.3-2.6 3.1=100 HB2 LEU 119 - QD2 LEU 103 far 0 93 0 - 4.3-5.2 HG LEU 49 - QD2 LEU 103 far 0 95 0 - 5.9-6.7 HG LEU 123 - QD2 LEU 103 far 0 99 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 3409 from aliabs.peaks (0.78, 0.73, 25.24 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 103 + QD2 LEU 103 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 122 - QD2 LEU 103 poor 20 100 20 - 2.1-4.5 QD1 LEU 122 - QD2 LEU 103 poor 11 71 60 25 1.9-4.7 3.1/3386=5, 2.1/3406=4...(9) QG1 VAL 63 - QD2 LEU 103 far 10 100 10 - 3.0-3.6 QD2 LEU 119 - QD2 LEU 103 far 10 99 10 - 2.7-3.9 QD2 LEU 49 - QD2 LEU 103 far 0 90 0 - 4.1-4.9 QD1 LEU 53 - QD2 LEU 103 far 0 96 0 - 4.7-6.1 QD1 LEU 96 - QD2 LEU 103 far 0 99 0 - 5.0-6.1 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): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 104 + HA GLN 104 OK 100 100 100 100 2.5-2.6 3.0=100 HB2 GLN 101 - HA LEU 98 far 0 42 0 - 4.9-5.4 HG2 GLN 68 - HA LEU 48 far 0 49 0 - 7.9-8.8 HB2 GLN 101 - HA GLN 104 far 0 89 0 - 8.1-8.9 HB2 GLN 68 - HA LEU 48 far 0 42 0 - 9.0-10.6 HB3 GLN 68 - HA LEU 48 far 0 81 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 3415 from aliabs.peaks (2.22, 4.09, 58.10 ppm; 3.61 A): 2 out of 11 assignments used, quality = 1.00: * HB3 GLN 104 + HA GLN 104 OK 100 100 100 100 2.3-2.4 3.0=100 HB3 GLU 97 + HA LEU 98 OK 38 53 75 95 4.0-5.3 7359/2.9=47, ~7358=30...(13) HB3 GLU 102 - HA LEU 98 far 0 53 0 - 4.7-7.8 HB2 GLN 101 - HA LEU 98 far 0 41 0 - 4.9-5.4 HG2 GLU 97 - HA LEU 98 far 0 40 0 - 5.8-6.5 HG2 GLN 68 - HA LEU 48 far 0 81 0 - 7.9-8.8 HB3 GLU 102 - HA GLN 104 far 0 100 0 - 8.0-8.6 HB3 LEU 96 - HA LEU 98 far 0 40 0 - 8.0-8.3 HB2 GLN 101 - HA GLN 104 far 0 87 0 - 8.1-8.9 HB3 GLN 127 - HA LEU 48 far 0 85 0 - 8.8-10.9 HB2 GLN 68 - HA LEU 48 far 0 83 0 - 9.0-10.6 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 3.5-3.7 3.9=81, 7495/3.0=55...(20) HG3 GLU 97 - HA LEU 98 far 2 37 5 - 4.2-5.6 HG3 GLU 55 - HA LEU 48 far 0 82 0 - 7.3-10.1 HG3 GLN 61 - HA LEU 48 far 0 49 0 - 7.9-8.6 HG2 GLN 104 - HA LEU 98 far 0 54 0 - 8.1-8.6 HB3 PRO 58 - HA GLN 104 far 0 60 0 - 9.5-10.4 HG3 GLN 61 - HA GLN 104 far 0 65 0 - 9.8-10.8 Violated in 4 structures by 0.00 A. Peak 3417 from aliabs.peaks (2.47, 4.09, 58.10 ppm; 4.30 A increased from 3.82 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLN 104 + HA GLN 104 OK 100 100 100 100 3.8-4.2 3.9=100 HG2 GLU 55 - HA LEU 48 far 0 53 0 - 7.5-8.4 HG3 GLN 104 - HA LEU 98 far 0 54 0 - 8.7-9.5 HG3 GLU 44 - HA LEU 48 far 0 78 0 - 8.8-9.8 HG3 GLN 127 - HA LEU 48 far 0 83 0 - 8.9-11.5 HG2 MET 11 - HA LEU 98 far 0 26 0 - 9.5-37.2 Violated in 0 structures by 0.00 A. Peak 3421 from aliabs.peaks (4.11, 2.19, 29.39 ppm; 4.67 A): 1 out of 2 assignments used, quality = 0.87: HA GLN 104 + HB2 GLN 104 OK 87 87 100 100 2.5-2.6 3.0=100 ! HA GLN 101 - HB2 GLN 104 poor 19 100 20 97 4.9-5.7 3282/7493=57...(10) Violated in 0 structures by 0.00 A. Peak 3423 from aliabs.peaks (4.09, 2.19, 29.39 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.5-2.6 3.0=100 HA GLN 101 - HB2 GLN 104 far 9 87 10 - 4.9-5.7 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 3 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 - 6.9-7.7 HB3 GLU 102 - HB2 GLN 104 far 0 100 0 - 9.0-9.2 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 1 assignment used, quality = 1.00: * HG2 GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.7-3.0 3.0=100 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 1 assignment used, quality = 1.00: * HG3 GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.2-2.5 3.0=100 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 2 assignments used, quality = 0.96: HA GLN 104 + HB3 GLN 104 OK 87 87 100 100 2.3-2.4 3.0=100 * HA GLN 101 + HB3 GLN 104 OK 73 100 75 97 4.8-5.9 3282/7494=64...(11) 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 3 assignments used, quality = 1.00: * HA GLN 104 + HB3 GLN 104 OK 100 100 100 100 2.3-2.4 3.0=100 HA GLN 101 + HB3 GLN 104 OK 20 87 25 93 4.8-5.9 3282/7494=46...(10) HB THR 65 - HB3 GLN 104 far 0 73 0 - 9.4-10.0 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 2 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 - 7.1-8.2 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 2.4-2.9 3.0=100 HG3 GLN 61 - HB3 GLN 104 far 0 65 0 - 9.8-10.6 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 1 assignment used, quality = 1.00: * HG3 GLN 104 + HB3 GLN 104 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3442 from aliabs.peaks (4.09, 2.38, 34.44 ppm; 3.21 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 104 + HG2 GLN 104 OK 100 100 100 100 3.5-3.7 3416=69, 3.0/7495=43...(20) HA GLN 101 + HG2 GLN 104 OK 59 87 100 68 2.5-3.7 3451/1.8=30...(9) HA LEU 98 - HG2 GLN 104 far 0 87 0 - 8.1-8.6 HB THR 65 - HG2 GLN 104 far 0 73 0 - 9.8-11.6 Violated in 1 structures by 0.00 A. Peak 3443 from aliabs.peaks (2.19, 2.38, 34.44 ppm; 3.08 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 104 + HG2 GLN 104 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 GLN 101 - HG2 GLN 104 far 0 89 0 - 4.7-6.0 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 4 assignments used, quality = 1.00: * HB3 GLN 104 + HG2 GLN 104 OK 100 100 100 100 2.4-2.9 3.0=100 HB2 GLN 101 - HG2 GLN 104 far 0 87 0 - 4.7-6.0 HB3 GLU 102 - HG2 GLN 104 far 0 100 0 - 6.2-7.6 HB3 GLU 97 - HG2 GLN 104 far 0 100 0 - 8.6-9.6 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 1 assignment used, quality = 1.00: * HG3 GLN 104 + HG2 GLN 104 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3451 from aliabs.peaks (4.09, 2.47, 34.44 ppm; 3.55 A increased from 3.34 A): 2 out of 5 assignments used, quality = 0.95: * HA GLN 104 + HG3 GLN 104 OK 85 100 85 100 3.8-4.2 3.9=76, 3416/1.8=70...(20) HA GLN 101 + HG3 GLN 104 OK 63 87 100 73 2.9-4.0 3442/1.8=31...(8) HA CYS 45 - HG3 GLU 44 far 0 46 0 - 5.6-6.5 HA LEU 98 - HG3 GLN 104 far 0 87 0 - 8.7-9.5 HA LEU 48 - HG3 GLU 44 far 0 71 0 - 8.8-9.8 Violated in 1 structures by 0.00 A. Peak 3452 from aliabs.peaks (2.19, 2.47, 34.44 ppm; 3.16 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 104 + HG3 GLN 104 OK 100 100 100 100 2.2-2.5 3.0=100 HB2 GLN 101 - HG3 GLN 104 far 0 89 0 - 4.7-6.1 HB3 GLN 68 - HG3 GLU 44 far 0 75 0 - 8.9-11.8 HB VAL 133 - HG3 GLU 44 far 0 78 0 - 9.0-10.1 HG2 GLN 68 - HG3 GLU 44 far 0 44 0 - 9.1-11.0 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 5 assignments used, quality = 1.00: * HB3 GLN 104 + HG3 GLN 104 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 101 - HG3 GLN 104 far 0 87 0 - 4.7-6.1 HB3 GLU 102 - HG3 GLN 104 far 0 100 0 - 7.0-8.9 HG2 GLN 68 - HG3 GLU 44 far 0 75 0 - 9.1-11.0 HB3 GLU 97 - HG3 GLN 104 far 0 100 0 - 9.3-10.6 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 2 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 lone 1 68 30 3 2.3-7.0 ~1251=2, 1272/1.8=1 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 1 assignment used, quality = 1.00: * HB VAL 105 + HA VAL 105 OK 100 100 100 100 2.4-2.5 3.0=100 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 1 assignment used, quality = 1.00: * QG1 VAL 105 + HA VAL 105 OK 100 100 100 100 2.3-2.4 3.2=100 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 3.2-3.2 3.2=100 QG2 VAL 118 - HA VAL 105 far 0 100 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 3465 from aliabs.peaks (4.05, 2.27, 31.70 ppm; 4.56 A increased from 4.05 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 102 + HB VAL 105 OK 100 100 100 100 4.2-4.5 10086/2.1=97...(12) HD3 PRO 81 - HB VAL 132 far 0 53 0 - 7.8-9.4 HA ALA 92 - HB VAL 132 far 0 57 0 - 8.4-9.3 HA LEU 119 - HB3 PRO 113 far 0 68 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 3467 from aliabs.peaks (4.18, 2.27, 31.70 ppm; 3.15 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 105 + HB VAL 105 OK 100 100 100 100 2.4-2.5 3.0=100 HA ALA 88 - HB VAL 132 far 0 30 0 - 6.2-6.9 HA GLU 128 - HB VAL 132 far 0 49 0 - 6.3-7.1 HA LEU 53 - HB3 PRO 113 far 0 95 0 - 7.7-11.0 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 9 assignments used, quality = 1.00: * QG1 VAL 105 + HB VAL 105 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 112 - HB3 PRO 113 far 0 88 0 - 4.3-4.5 QD1 LEU 119 - HB3 PRO 113 far 0 84 0 - 4.6-6.7 QG2 VAL 112 - HB3 PRO 113 far 0 50 0 - 6.7-6.8 QD2 LEU 53 - HB3 PRO 113 far 0 87 0 - 7.6-10.4 QG1 VAL 57 - HB3 PRO 113 far 0 89 0 - 8.4-10.6 QG1 VAL 126 - HB VAL 132 far 0 59 0 - 8.6-9.0 QG2 VAL 126 - HB VAL 132 far 0 55 0 - 9.4-9.8 QG2 ILE 37 - HB VAL 132 far 0 44 0 - 9.7-10.3 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 3 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 - HB VAL 105 far 0 100 0 - 7.2-8.0 QD1 LEU 69 - HB VAL 132 far 0 59 0 - 7.6-8.0 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 3 assignments used, quality = 1.00: * HA VAL 105 + QG1 VAL 105 OK 100 100 100 100 2.3-2.4 3.2=100 HA LEU 53 - QG1 VAL 57 far 0 67 0 - 5.7-6.3 HA LEU 53 - QG1 VAL 112 far 0 71 0 - 9.0-10.3 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 4 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 52 56 95 98 2.0-3.9 1.8/10937=40, 9377=39...(22) HB3 PRO 113 - QG1 VAL 112 far 0 68 0 - 4.3-4.5 HB3 PRO 113 - QG1 VAL 57 far 0 64 0 - 8.4-10.6 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 3 assignments used, quality = 1.00: * QG2 VAL 105 + QG1 VAL 105 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 VAL 118 - QG1 VAL 105 far 0 100 0 - 6.0-7.0 QG2 VAL 118 - QG1 VAL 112 far 0 70 0 - 7.7-9.1 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 1.8-2.1 4.0=100 Violated in 0 structures by 0.00 A. Peak 3479 from aliabs.peaks (4.18, 1.01, 20.08 ppm; 3.37 A increased from 2.99 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 105 + QG2 VAL 105 OK 100 100 100 100 3.2-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 3480 from aliabs.peaks (2.27, 1.01, 20.08 ppm; 2.69 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 105 + QG2 VAL 105 OK 100 100 100 100 2.1-2.1 2.1=100 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 4 assignments used, quality = 1.00: * QG1 VAL 105 + QG2 VAL 105 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 LEU 119 - QG2 VAL 105 far 0 92 0 - 7.7-8.8 QD2 LEU 53 - QG2 VAL 105 far 0 95 0 - 9.1-10.5 QG2 VAL 112 - QG2 VAL 105 far 0 57 0 - 9.2-10.3 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 5 assignments used, quality = 1.00: * HB2 SER 106 + HA SER 106 OK 100 100 100 100 2.3-3.0 3.0=99, 7541/2.9=22...(10) HB3 SER 106 + HA SER 106 OK 94 95 100 99 2.3-3.0 3.0=99, 7541/2.9=20...(10) HB3 SER 107 - HA SER 106 far 0 99 0 - 5.4-6.5 HD3 PRO 117 - HA SER 106 far 0 93 0 - 7.8-9.0 HA LEU 100 - HA SER 106 far 0 100 0 - 9.9-10.3 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 5 assignments used, quality = 1.00: * HB3 SER 106 + HA SER 106 OK 100 100 100 100 2.3-3.0 3.0=99, 7542/2.9=21...(10) HB2 SER 106 + HA SER 106 OK 94 95 100 99 2.3-3.0 3.0=99, 7542/2.9=21...(10) HB3 SER 107 - HA SER 106 far 0 83 0 - 5.4-6.5 HD3 PRO 117 - HA SER 106 far 0 65 0 - 7.8-9.0 HA LEU 100 - HA SER 106 far 0 92 0 - 9.9-10.3 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 5 assignments used, quality = 1.00: * HA SER 106 + HB2 SER 106 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 106 + HB3 SER 106 OK 84 84 100 100 2.3-3.0 3.0=100 HA SER 106 - HB3 SER 107 far 0 75 0 - 5.4-6.5 HA PRO 58 - HB3 SER 107 far 0 74 0 - 6.4-9.2 HA ASP 64 - HB3 SER 107 far 0 72 0 - 9.1-11.6 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 2 assignments used, quality = 1.00: * HA SER 106 + HB3 SER 106 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 106 + HB2 SER 106 OK 84 84 100 100 2.3-3.0 3.0=100 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 8 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 2.4-2.9 3.0=100 HB2 SER 60 - HA SER 107 far 0 97 0 - 5.5-10.7 HB2 SER 94 - HA SER 9 far 0 71 0 - 6.1-43.0 HB3 SER 60 - HA SER 107 far 0 97 0 - 6.2-10.9 HA3 GLY 75 - HA SER 33 far 0 37 0 - 6.8-8.0 HA2 GLY 111 - HA SER 107 far 0 95 0 - 7.1-10.6 HA3 GLY 111 - HA SER 107 far 0 65 0 - 8.3-11.1 Violated in 0 structures by 0.00 A. Peak 3502 from aliabs.peaks (3.96, 4.39, 58.42 ppm; 3.85 A): 2 out of 12 assignments used, quality = 1.00: * HB3 SER 107 + HA SER 107 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 106 + HA SER 107 OK 62 99 80 78 3.9-5.2 3510=32, 7551/3.0=19...(14) HB3 SER 106 - HA SER 107 poor 17 83 20 - 4.3-4.8 HB3 SER 94 - HA SER 9 far 0 82 0 - 5.3-43.2 HD3 PRO 117 - HA SER 107 far 0 99 0 - 5.6-8.5 HA GLU 91 - HA SER 9 far 0 80 0 - 6.0-46.9 HA2 GLY 111 - HA SER 107 far 0 63 0 - 7.1-10.6 HA3 GLY 17 - HA SER 9 far 0 90 0 - 7.3-28.5 HA3 GLY 111 - HA SER 107 far 0 93 0 - 8.3-11.1 HA LEU 100 - HA SER 107 far 0 100 0 - 8.3-9.0 HA2 GLY 17 - HA SER 9 far 0 87 0 - 8.5-28.7 HB2 SER 124 - HA SER 9 far 0 46 0 - 9.2-51.1 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 7 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 2.4-2.9 3.0=100 HA ASP 71 - HB2 SER 33 far 0 40 0 - 6.8-8.2 HA PRO 117 - HB2 SER 107 far 0 71 0 - 9.5-12.8 HA THR 115 - HB2 SER 107 far 0 97 0 - 9.5-12.2 HA MET 11 - HB2 SER 33 far 0 42 0 - 9.5-38.6 HA PRO 113 - HB2 SER 107 far 0 73 0 - 9.8-13.2 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 7 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 0 99 0 - 4.1-7.3 HB3 SER 106 - HB2 SER 107 far 0 83 0 - 5.6-6.9 HA2 GLY 111 - HB2 SER 107 far 0 63 0 - 6.0-10.7 HA LEU 100 - HB2 SER 107 far 0 100 0 - 6.4-8.9 HD3 PRO 117 - HB2 SER 107 far 0 99 0 - 6.9-10.7 HA3 GLY 111 - HB2 SER 107 far 0 93 0 - 7.3-11.5 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 5 assignments used, quality = 1.00: * HA SER 107 + HB3 SER 107 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 107 + HB2 SER 106 OK 48 75 80 80 3.9-5.2 3502=38, 3.0/7551=19...(13) HA PRO 117 - HB2 SER 106 far 0 46 0 - 9.1-10.6 HA PRO 117 - HB3 SER 107 far 0 71 0 - 9.4-12.1 HA THR 115 - HB2 SER 106 far 0 70 0 - 9.6-12.4 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 9 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 0 75 0 - 4.1-7.3 HB2 SER 60 - HB3 SER 107 far 0 97 0 - 4.4-9.0 HB3 SER 60 - HB3 SER 107 far 0 97 0 - 4.8-9.2 HA3 GLY 2 - HB2 SER 106 far 0 53 0 - 5.5-63.2 HA2 GLY 2 - HB2 SER 106 far 0 51 0 - 6.9-63.8 HA2 GLY 111 - HB3 SER 107 far 0 95 0 - 7.3-10.2 HA3 GLY 111 - HB3 SER 107 far 0 65 0 - 8.5-11.3 HB2 SER 60 - HB2 SER 106 far 0 70 0 - 10.0-12.9 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): 6 out of 34 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 HG2 LYS 24 - HA ALA 21 far 0 38 0 - 3.3-8.9 HG2 LYS 19 - HA ALA 16 far 0 90 0 - 3.4-8.5 QB ALA 108 - HA ALA 109 far 0 59 0 - 3.7-4.2 QB ALA 16 - HA ALA 15 far 0 61 0 - 3.7-4.5 QB ALA 15 - HA ALA 16 far 0 94 0 - 3.7-4.4 QB ALA 110 - HA ALA 109 far 0 58 0 - 3.7-4.0 QB ALA 109 - HA ALA 110 far 0 94 0 - 4.1-4.7 QB ALA 110 - HA ALA 108 far 0 100 0 - 4.2-5.9 QB ALA 15 - HA ALA 12 far 0 82 0 - 4.2-9.9 QB ALA 12 - HA ALA 15 far 0 49 0 - 4.3-10.0 QB ALA 109 - HA ALA 108 far 0 99 0 - 4.5-4.9 QB ALA 16 - HA ALA 21 far 0 34 0 - 5.1-10.0 HG2 LYS 19 - HA ALA 15 far 0 64 0 - 5.5-11.6 QB ALA 108 - HA ALA 110 far 0 97 0 - 5.6-6.9 QB ALA 12 - HA ALA 16 far 0 73 0 - 5.7-12.5 HG3 LYS 31 - HA ALA 21 far 0 37 0 - 6.0-24.0 HG2 LYS 19 - HA ALA 21 far 0 36 0 - 6.3-6.9 QB ALA 28 - HA ALA 21 far 0 37 0 - 6.6-18.3 HG3 LYS 31 - HA ALA 12 far 0 81 0 - 6.9-38.6 HG2 LYS 19 - HA ALA 12 far 0 78 0 - 7.0-21.6 QB ALA 15 - HA ALA 21 far 0 38 0 - 7.7-12.8 QB ALA 16 - HA ALA 12 far 0 75 0 - 7.9-12.9 HG2 LYS 95 - HA ALA 12 far 0 78 0 - 8.8-41.2 HG3 LYS 26 - HA ALA 21 far 0 38 0 - 8.9-15.7 HG3 LYS 95 - HA ALA 12 far 0 81 0 - 9.2-39.5 HG2 LYS 95 - HA ALA 15 far 0 64 0 - 9.4-49.0 HG3 LYS 31 - HA ALA 16 far 0 92 0 - 9.4-28.3 QB ALA 12 - HA ALA 21 far 0 27 0 - 10.0-19.8 Violated in 0 structures by 0.00 A. Peak 3519 from aliabs.peaks (4.28, 1.38, 19.17 ppm; 2.66 A): 5 out of 53 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 ARG 23 - QB ALA 28 far 0 95 0 - 3.3-13.3 HA LEU 22 - QB ALA 28 far 0 88 0 - 3.6-16.6 HA ALA 109 - QB ALA 108 far 0 100 0 - 3.7-4.2 HA ALA 15 - QB ALA 16 far 0 86 0 - 3.7-4.5 HA ALA 16 - QB ALA 15 far 0 97 0 - 3.7-4.4 HA GLN 27 - QB ALA 28 far 0 51 0 - 3.7-5.0 HA ALA 109 - QB ALA 110 far 0 100 0 - 3.7-4.0 HB THR 115 - QB ALA 109 far 0 93 0 - 3.8-5.6 HA LYS 26 - QB ALA 28 far 0 92 0 - 3.8-7.7 HA ALA 110 - QB ALA 109 far 0 92 0 - 4.1-4.7 HA ALA 108 - QB ALA 110 far 0 100 0 - 4.2-5.9 HA ALA 12 - QB ALA 15 far 0 95 0 - 4.2-9.9 HA SER 74 - QB ALA 15 far 0 92 0 - 4.4-29.7 HA PHE 87 - QB ALA 15 far 0 95 0 - 4.5-35.2 HA ALA 108 - QB ALA 109 far 0 94 0 - 4.5-4.9 HA THR 18 - QB ALA 16 far 0 85 0 - 4.6-7.0 HA ALA 21 - QB ALA 16 far 0 69 0 - 5.1-10.0 HA LYS 36 - QB ALA 29 far 0 92 0 - 5.2-8.8 HA THR 18 - QB ALA 15 far 0 97 0 - 5.3-9.1 HA THR 25 - QB ALA 29 far 0 86 0 - 5.3-11.5 HA GLN 27 - QB ALA 29 far 0 50 0 - 5.4-7.9 HA LYS 31 - QB ALA 29 far 0 92 0 - 5.5-6.6 HA LYS 26 - QB ALA 29 far 0 91 0 - 5.6-9.5 HA THR 25 - QB ALA 28 far 0 87 0 - 5.6-10.0 HA ALA 110 - QB ALA 108 far 0 99 0 - 5.6-6.9 HA LYS 19 - QB ALA 16 far 0 84 0 - 6.1-9.7 HA SER 74 - QB ALA 16 far 0 80 0 - 6.5-32.4 HA ALA 21 - QB ALA 28 far 0 79 0 - 6.6-18.3 HA LYS 31 - QB ALA 28 far 0 93 0 - 6.6-7.7 HA LYS 19 - QB ALA 15 far 0 96 0 - 6.9-12.4 HA LEU 22 - QB ALA 29 far 0 88 0 - 6.9-18.1 HB THR 115 - QB ALA 110 far 0 99 0 - 7.5-10.1 HA ALA 21 - QB ALA 15 far 0 81 0 - 7.7-12.8 HA LYS 31 - QB ALA 16 far 0 83 0 - 7.9-25.4 HA ALA 12 - QB ALA 16 far 0 83 0 - 7.9-12.9 HA PHE 87 - QB ALA 16 far 0 83 0 - 7.9-37.2 HA ARG 23 - QB ALA 29 far 0 95 0 - 7.9-14.7 HB THR 115 - QB ALA 108 far 0 100 0 - 8.1-10.2 HA GLN 61 - QB ALA 110 far 0 100 0 - 8.1-10.2 HA THR 18 - QB ALA 28 far 0 95 0 - 8.5-20.9 HA GLN 61 - QB ALA 109 far 0 94 0 - 8.6-10.2 HA LYS 19 - QB ALA 28 far 0 94 0 - 8.6-20.2 HA GLN 27 - QB ALA 15 far 0 53 0 - 8.7-23.4 HA LEU 22 - QB ALA 16 far 0 78 0 - 8.7-13.1 HA THR 25 - QB ALA 15 far 0 90 0 - 8.7-19.0 HA ARG 23 - QB ALA 15 far 0 97 0 - 8.9-15.3 HA LEU 22 - QB ALA 15 far 0 91 0 - 9.1-14.5 HA ARG 23 - QB ALA 16 far 0 86 0 - 9.7-14.0 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): 6 out of 41 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 HG2 LYS 24 - HA ALA 21 far 0 59 0 - 3.3-8.9 HG2 LYS 19 - HA ALA 16 far 0 75 0 - 3.4-8.5 QB ALA 108 - HA ALA 109 far 0 99 0 - 3.7-4.2 QB ALA 16 - HA ALA 15 far 0 99 0 - 3.7-4.5 QB ALA 15 - HA ALA 16 far 0 88 0 - 3.7-4.4 QB ALA 110 - HA ALA 109 far 0 100 0 - 3.7-4.0 QB ALA 109 - HA ALA 110 far 0 62 0 - 4.1-4.7 QB ALA 110 - HA ALA 108 far 0 58 0 - 4.2-5.9 QB ALA 15 - HA ALA 12 far 0 85 0 - 4.2-9.9 QB ALA 12 - HA ALA 15 far 0 62 0 - 4.3-10.0 QB ALA 109 - HA ALA 108 far 0 59 0 - 4.5-4.9 QB ALA 16 - HA ALA 21 far 0 64 0 - 5.1-10.0 HG2 LYS 19 - HA ALA 15 far 0 88 0 - 5.5-11.6 QB ALA 108 - HA ALA 110 far 0 59 0 - 5.6-6.9 QB ALA 12 - HA ALA 16 far 0 51 0 - 5.7-12.5 HG2 LYS 86 - HA ALA 21 far 0 37 0 - 5.8-30.5 HG3 LYS 31 - HA ALA 21 far 0 64 0 - 6.0-24.0 HG2 LYS 19 - HA ALA 21 far 0 51 0 - 6.3-6.9 QB ALA 28 - HA ALA 21 far 0 64 0 - 6.6-18.3 HG3 LYS 31 - HA ALA 12 far 0 87 0 - 6.9-38.6 HG2 LYS 19 - HA ALA 12 far 0 72 0 - 7.0-21.6 QB ALA 34 - HA ALA 21 far 0 35 0 - 7.0-18.5 QB ALA 34 - HA ALA 15 far 0 64 0 - 7.2-26.9 QB ALA 15 - HA ALA 21 far 0 63 0 - 7.7-12.8 QB ALA 16 - HA ALA 12 far 0 86 0 - 7.9-12.9 HG2 LYS 95 - HA ALA 12 far 0 87 0 - 8.8-41.2 QB ALA 34 - HA ALA 16 far 0 53 0 - 8.8-26.3 HG3 LYS 26 - HA ALA 21 far 0 63 0 - 8.9-15.7 HG2 LYS 86 - HA ALA 16 far 0 56 0 - 9.0-39.8 HG3 LYS 95 - HA ALA 12 far 0 87 0 - 9.2-39.5 QB ALA 34 - HA ALA 12 far 0 51 0 - 9.2-31.0 HG2 LYS 86 - HA ALA 15 far 0 67 0 - 9.3-40.7 HG2 LYS 95 - HA ALA 15 far 0 100 0 - 9.4-49.0 HG3 LYS 31 - HA ALA 16 far 0 90 0 - 9.4-28.3 QB ALA 12 - HA ALA 21 far 0 33 0 - 10.0-19.8 Violated in 0 structures by 0.00 A. Peak 3527 from aliabs.peaks (4.28, 1.39, 19.10 ppm; 2.50 A): 5 out of 53 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 ARG 23 - QB ALA 28 far 0 99 0 - 3.3-13.3 HA LEU 22 - QB ALA 28 far 0 94 0 - 3.6-16.6 HA ALA 109 - QB ALA 108 far 0 94 0 - 3.7-4.2 HA ALA 15 - QB ALA 16 far 0 99 0 - 3.7-4.5 HA ALA 16 - QB ALA 15 far 0 97 0 - 3.7-4.4 HA GLN 27 - QB ALA 28 far 0 55 0 - 3.7-5.0 HA ALA 109 - QB ALA 110 far 0 98 0 - 3.7-4.0 HB THR 115 - QB ALA 109 far 0 100 0 - 3.8-5.6 HA LYS 26 - QB ALA 28 far 0 97 0 - 3.8-7.7 HA ALA 110 - QB ALA 109 far 0 99 0 - 4.1-4.7 HA ALA 108 - QB ALA 110 far 0 98 0 - 4.2-5.9 HA ALA 12 - QB ALA 15 far 0 95 0 - 4.2-9.9 HA SER 74 - QB ALA 15 far 0 92 0 - 4.4-29.7 HA PHE 87 - QB ALA 15 far 0 95 0 - 4.5-35.2 HA ALA 108 - QB ALA 109 far 0 100 0 - 4.5-4.9 HA THR 18 - QB ALA 16 far 0 99 0 - 4.6-7.0 HA ALA 21 - QB ALA 16 far 0 85 0 - 5.1-10.0 HA LYS 36 - QB ALA 29 far 0 89 0 - 5.2-8.8 HA THR 18 - QB ALA 15 far 0 97 0 - 5.3-9.1 HA THR 25 - QB ALA 29 far 0 82 0 - 5.3-11.5 HA GLN 27 - QB ALA 29 far 0 47 0 - 5.4-7.9 HA LYS 31 - QB ALA 29 far 0 89 0 - 5.5-6.6 HA LYS 26 - QB ALA 29 far 0 87 0 - 5.6-9.5 HA THR 25 - QB ALA 28 far 0 93 0 - 5.6-10.0 HA ALA 110 - QB ALA 108 far 0 92 0 - 5.6-6.9 HA LYS 19 - QB ALA 16 far 0 98 0 - 6.1-9.7 HA SER 74 - QB ALA 16 far 0 95 0 - 6.5-32.4 HA ALA 21 - QB ALA 28 far 0 85 0 - 6.6-18.3 HA LYS 31 - QB ALA 28 far 0 98 0 - 6.6-7.7 HA LYS 19 - QB ALA 15 far 0 96 0 - 6.9-12.4 HA LEU 22 - QB ALA 29 far 0 84 0 - 6.9-18.1 HB THR 115 - QB ALA 110 far 0 97 0 - 7.5-10.1 HA ALA 21 - QB ALA 15 far 0 82 0 - 7.7-12.8 HA LYS 31 - QB ALA 16 far 0 98 0 - 7.9-25.4 HA ALA 12 - QB ALA 16 far 0 97 0 - 7.9-12.9 HA PHE 87 - QB ALA 16 far 0 98 0 - 7.9-37.2 HA ARG 23 - QB ALA 29 far 0 91 0 - 7.9-14.7 HB THR 115 - QB ALA 108 far 0 93 0 - 8.1-10.2 HA GLN 61 - QB ALA 110 far 0 98 0 - 8.1-10.2 HA THR 18 - QB ALA 28 far 0 99 0 - 8.5-20.9 HA GLN 61 - QB ALA 109 far 0 100 0 - 8.6-10.2 HA LYS 19 - QB ALA 28 far 0 98 0 - 8.6-20.2 HA GLN 27 - QB ALA 15 far 0 53 0 - 8.7-23.4 HA LEU 22 - QB ALA 16 far 0 94 0 - 8.7-13.1 HA THR 25 - QB ALA 15 far 0 90 0 - 8.7-19.0 HA ARG 23 - QB ALA 15 far 0 97 0 - 8.9-15.3 HA LEU 22 - QB ALA 15 far 0 91 0 - 9.1-14.5 HA ARG 23 - QB ALA 16 far 0 99 0 - 9.7-14.0 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 8 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 2.8-2.9 3.0=100 H ALA 110 + HA ALA 109 OK 62 62 100 100 2.1-3.6 3.6=100 H ALA 110 - HA ALA 108 poor 19 97 100 20 3.4-5.6 11478/11966=9...(3) H ALA 21 - HA ALA 16 far 14 90 15 - 4.4-9.8 H TYR 72 - HA ALA 15 far 4 72 5 - 7.1-38.7 H ALA 21 - HA ALA 15 far 0 73 0 - 8.1-12.1 H ALA 21 - HA ALA 12 far 0 94 0 - 8.9-21.8 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): 6 out of 34 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 HG2 LYS 24 - HA ALA 21 far 0 62 0 - 3.3-8.9 HG2 LYS 19 - HA ALA 16 far 0 83 0 - 3.4-8.5 QB ALA 108 - HA ALA 109 far 0 62 0 - 3.7-4.2 QB ALA 16 - HA ALA 15 far 0 70 0 - 3.7-4.5 QB ALA 15 - HA ALA 16 far 0 91 0 - 3.7-4.4 QB ALA 110 - HA ALA 109 far 0 62 0 - 3.7-4.0 QB ALA 109 - HA ALA 110 far 0 100 0 - 4.1-4.7 QB ALA 110 - HA ALA 108 far 0 97 0 - 4.2-5.9 QB ALA 15 - HA ALA 12 far 0 95 0 - 4.2-9.9 QB ALA 12 - HA ALA 15 far 0 49 0 - 4.3-10.0 QB ALA 109 - HA ALA 108 far 0 96 0 - 4.5-4.9 QB ALA 16 - HA ALA 21 far 0 60 0 - 5.1-10.0 HG2 LYS 19 - HA ALA 15 far 0 66 0 - 5.5-11.6 QB ALA 108 - HA ALA 110 far 0 100 0 - 5.6-6.9 QB ALA 12 - HA ALA 16 far 0 63 0 - 5.7-12.5 HG3 LYS 31 - HA ALA 21 far 0 63 0 - 6.0-24.0 HG2 LYS 19 - HA ALA 21 far 0 57 0 - 6.3-6.9 QB ALA 28 - HA ALA 21 far 0 64 0 - 6.6-18.3 HG3 LYS 31 - HA ALA 12 far 0 94 0 - 6.9-38.6 HG2 LYS 19 - HA ALA 12 far 0 88 0 - 7.0-21.6 QB ALA 15 - HA ALA 21 far 0 64 0 - 7.7-12.8 QB ALA 16 - HA ALA 12 far 0 91 0 - 7.9-12.9 HG2 LYS 95 - HA ALA 12 far 0 93 0 - 8.8-41.2 HG3 LYS 26 - HA ALA 21 far 0 64 0 - 8.9-15.7 HG3 LYS 95 - HA ALA 12 far 0 94 0 - 9.2-39.5 HG2 LYS 95 - HA ALA 15 far 0 72 0 - 9.4-49.0 HG3 LYS 31 - HA ALA 16 far 0 90 0 - 9.4-28.3 QB ALA 12 - HA ALA 21 far 0 41 0 - 10.0-19.8 Violated in 0 structures by 0.00 A. Peak 3535 from aliabs.peaks (4.28, 1.38, 19.16 ppm; 2.66 A): 5 out of 51 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 ARG 23 - QB ALA 28 far 0 96 0 - 3.3-13.3 HA LEU 22 - QB ALA 28 far 0 80 0 - 3.6-16.6 HA ALA 109 - QB ALA 108 far 0 98 0 - 3.7-4.2 HA ALA 15 - QB ALA 16 far 0 92 0 - 3.7-4.5 HA ALA 16 - QB ALA 15 far 0 95 0 - 3.7-4.4 HA ALA 109 - QB ALA 110 far 0 99 0 - 3.7-4.0 HB THR 115 - QB ALA 109 far 0 92 0 - 3.8-5.6 HA LYS 26 - QB ALA 28 far 0 86 0 - 3.8-7.7 HA ALA 110 - QB ALA 109 far 0 98 0 - 4.1-4.7 HA ALA 108 - QB ALA 110 far 0 99 0 - 4.2-5.9 HA ALA 12 - QB ALA 15 far 0 98 0 - 4.2-9.9 HA SER 74 - QB ALA 15 far 0 97 0 - 4.4-29.7 HA PHE 87 - QB ALA 15 far 0 89 0 - 4.5-35.2 HA ALA 108 - QB ALA 109 far 0 96 0 - 4.5-4.9 HA THR 18 - QB ALA 16 far 0 93 0 - 4.6-7.0 HA ALA 21 - QB ALA 16 far 0 87 0 - 5.1-10.0 HA LYS 36 - QB ALA 29 far 0 94 0 - 5.2-8.8 HA THR 18 - QB ALA 15 far 0 98 0 - 5.3-9.1 HA THR 25 - QB ALA 29 far 0 92 0 - 5.3-11.5 HA LYS 31 - QB ALA 29 far 0 84 0 - 5.5-6.6 HA LYS 26 - QB ALA 29 far 0 81 0 - 5.6-9.5 HA THR 25 - QB ALA 28 far 0 96 0 - 5.6-10.0 HA ALA 110 - QB ALA 108 far 0 100 0 - 5.6-6.9 HA LYS 19 - QB ALA 16 far 0 85 0 - 6.1-9.7 HA SER 74 - QB ALA 16 far 0 93 0 - 6.5-32.4 HA ALA 21 - QB ALA 28 far 0 93 0 - 6.6-18.3 HA LYS 31 - QB ALA 28 far 0 89 0 - 6.6-7.7 HA LYS 19 - QB ALA 15 far 0 90 0 - 6.9-12.4 HA LEU 22 - QB ALA 29 far 0 75 0 - 6.9-18.1 HB THR 115 - QB ALA 110 far 0 96 0 - 7.5-10.1 HA ALA 21 - QB ALA 15 far 0 93 0 - 7.7-12.8 HA LYS 31 - QB ALA 16 far 0 83 0 - 7.9-25.4 HA ALA 12 - QB ALA 16 far 0 93 0 - 7.9-12.9 HA PHE 87 - QB ALA 16 far 0 83 0 - 7.9-37.2 HA ARG 23 - QB ALA 29 far 0 92 0 - 7.9-14.7 HB THR 115 - QB ALA 108 far 0 95 0 - 8.1-10.2 HA GLN 61 - QB ALA 110 far 0 100 0 - 8.1-10.2 HA TYR 76 - QB ALA 15 far 0 71 0 - 8.3-30.1 HA THR 18 - QB ALA 28 far 0 97 0 - 8.5-20.9 HA GLN 61 - QB ALA 109 far 0 97 0 - 8.6-10.2 HA LYS 19 - QB ALA 28 far 0 90 0 - 8.6-20.2 HA LEU 22 - QB ALA 16 far 0 75 0 - 8.7-13.1 HA THR 25 - QB ALA 15 far 0 97 0 - 8.7-19.0 HA ARG 23 - QB ALA 15 far 0 97 0 - 8.9-15.3 HA LEU 22 - QB ALA 15 far 0 80 0 - 9.1-14.5 HA ARG 23 - QB ALA 16 far 0 92 0 - 9.7-14.0 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 3.0-3.0 3.0=100 HB2 PRO 56 - HA VAL 112 far 0 89 0 - 6.2-7.5 HB VAL 57 - HA VAL 112 far 0 68 0 - 8.3-9.7 HB3 GLN 61 - HA VAL 112 far 0 92 0 - 9.4-10.9 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 5 assignments used, quality = 1.00: * QG2 VAL 112 + HA VAL 112 OK 100 100 100 100 2.5-2.6 3557=100, 3556/3.0=55...(16) QD1 LEU 119 - HA VAL 112 far 0 92 0 - 5.2-6.3 QD1 LEU 62 - HA VAL 112 far 0 97 0 - 6.8-8.6 QG1 VAL 57 - HA VAL 112 far 0 85 0 - 7.9-8.9 QG2 VAL 63 - HA VAL 112 far 0 95 0 - 9.9-11.3 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 4 assignments used, quality = 1.00: * QG1 VAL 112 + HA VAL 112 OK 100 100 100 100 2.2-2.3 3.2=86, 2.1/3557=64...(19) QD1 LEU 119 - HA VAL 112 far 0 65 0 - 5.2-6.3 QG1 VAL 57 - HA VAL 112 far 0 76 0 - 7.9-8.9 QD2 LEU 53 - HA VAL 112 far 0 100 0 - 8.7-10.5 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 2 assignments used, quality = 1.00: * HA VAL 112 + HB VAL 112 OK 100 100 100 100 3.0-3.0 3.0=100 HA THR 115 - HB VAL 112 far 0 83 0 - 4.5-6.7 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 QD1 LEU 119 - HB VAL 112 far 0 92 0 - 3.9-4.4 QD1 LEU 62 - HB VAL 112 far 0 97 0 - 6.3-7.6 QG1 VAL 20 - HB2 PRO 81 far 0 66 0 - 8.0-29.3 QG1 VAL 57 - HB VAL 112 far 0 85 0 - 8.4-9.8 QG2 VAL 63 - HB VAL 112 far 0 95 0 - 8.5-9.9 QG2 ILE 37 - HB2 PRO 81 far 0 71 0 - 9.3-10.3 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 4 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 - 3.9-4.4 QD2 LEU 53 - HB VAL 112 far 0 100 0 - 7.9-9.5 QG1 VAL 57 - HB VAL 112 far 0 76 0 - 8.4-9.8 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 2 assignments used, quality = 1.00: * HA VAL 112 + QG2 VAL 112 OK 100 100 100 100 2.5-2.6 3549=84, 3550/2.1=59...(17) HA THR 115 - QG2 VAL 112 far 0 83 0 - 5.3-6.9 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 0 89 0 - 7.4-8.4 HB VAL 57 - QG2 VAL 112 far 0 68 0 - 7.9-8.9 HB3 GLN 61 - QG2 VAL 112 far 0 92 0 - 8.1-9.2 HB2 GLN 61 - QG2 VAL 112 far 0 87 0 - 8.9-10.3 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 4 assignments used, quality = 1.00: * QG1 VAL 112 + QG2 VAL 112 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 119 - QG2 VAL 112 far 0 65 0 - 4.8-5.3 QG1 VAL 57 - QG2 VAL 112 far 0 76 0 - 7.7-8.5 QD2 LEU 53 - QG2 VAL 112 far 0 100 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 3562 from aliabs.peaks (4.42, 0.96, 20.76 ppm; 2.97 A): 2 out of 3 assignments used, quality = 1.00: * HA VAL 112 + QG1 VAL 112 OK 100 100 100 100 2.2-2.3 3550=93, 3557/2.1=61...(19) HA THR 115 + QG1 VAL 112 OK 32 83 40 96 3.4-4.3 3.2/11552=42...(21) HA HIS 5 - QG1 VAL 105 far 0 68 0 - 7.8-41.3 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 5 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 - 7.1-8.5 HB VAL 57 - QG1 VAL 112 far 0 68 0 - 8.4-9.9 HB3 GLN 61 - QG1 VAL 112 far 0 92 0 - 9.2-10.8 HB2 GLU 97 - QG1 VAL 105 far 0 55 0 - 9.5-10.6 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 8 assignments used, quality = 1.00: * QG2 VAL 112 + QG1 VAL 112 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 119 - QG1 VAL 112 far 0 92 0 - 3.9-5.0 QG2 VAL 63 - QG1 VAL 105 far 0 63 0 - 5.3-5.6 QD1 LEU 62 - QG1 VAL 112 far 0 97 0 - 6.5-7.8 QG1 VAL 57 - QG1 VAL 112 far 0 85 0 - 8.0-9.1 QG2 VAL 63 - QG1 VAL 112 far 0 95 0 - 8.7-10.0 QD1 LEU 119 - QG1 VAL 105 far 0 60 0 - 9.4-10.4 QD1 LEU 62 - QG1 VAL 105 far 0 66 0 - 9.7-10.1 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 2 assignments used, quality = 1.00: * HA VAL 112 + HD2 PRO 113 OK 100 100 100 100 2.2-2.2 3567=100, 3569/1.8=71...(27) HA THR 115 - HD2 PRO 113 far 0 83 0 - 5.4-6.0 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 2.2-2.2 3566=100, 1.8/3569=71...(27) 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 5 assignments used, quality = 1.00: * HA VAL 112 + HD3 PRO 113 OK 100 100 100 100 2.3-2.3 3569=100, 3567/1.8=68...(31) HA THR 115 - HD3 PRO 117 far 0 53 0 - 6.5-6.9 HA THR 115 - HD3 PRO 113 far 0 83 0 - 6.7-7.4 HA HIS 5 - HD3 PRO 117 far 0 70 0 - 8.9-58.3 HA ASN 120 - HD3 PRO 117 far 0 72 0 - 9.1-9.3 Violated in 0 structures by 0.00 A. Peak 3569 from aliabs.peaks (3.94, 4.42, 59.83 ppm; 2.91 A): 1 out of 5 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...(31) HA2 GLY 111 - HA VAL 112 far 0 100 0 - 4.3-5.3 HA3 GLY 111 - HA VAL 112 far 0 98 0 - 4.4-4.6 HB2 SER 107 - HA VAL 112 far 0 87 0 - 8.5-11.5 HB3 SER 107 - HA VAL 112 far 0 76 0 - 9.5-12.0 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 2 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 - 9.8-11.4 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 3.9-3.9 3.0=100 HG2 PRO 113 + HD2 PRO 113 OK 78 78 100 100 2.7-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 3572 from aliabs.peaks (2.27, 3.70, 50.81 ppm; 4.15 A increased from 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 113 + HD2 PRO 113 OK 100 100 100 100 4.0-4.0 3.0=100 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 2.7-2.7 2.3=100 HB2 PRO 113 + HD2 PRO 113 OK 78 78 100 100 3.9-3.9 3.0=100 HB2 PRO 58 - HD2 PRO 113 far 0 89 0 - 9.8-11.4 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 1 assignment used, quality = 1.00: * HG3 PRO 113 + HD2 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 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 4 assignments used, quality = 1.00: * HD3 PRO 113 + HD2 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HA2 GLY 111 - HD2 PRO 113 far 0 100 0 - 6.5-7.2 HA3 GLY 111 - HD2 PRO 113 far 0 98 0 - 6.5-6.8 HB2 SER 107 - HD2 PRO 113 far 0 87 0 - 9.9-13.0 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 4 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 4.1-4.1 3.6=100 HA SER 107 - HD3 PRO 117 far 0 46 0 - 5.6-8.5 HA PRO 113 - HD3 PRO 117 far 0 73 0 - 9.7-11.4 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 2 assignments used, quality = 1.00: * HB2 PRO 113 + HD3 PRO 113 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 PRO 113 + HD3 PRO 113 OK 78 78 100 100 2.3-2.3 2.3=100 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 1 assignment used, quality = 1.00: * HB3 PRO 113 + HD3 PRO 113 OK 100 100 100 100 3.9-3.9 3.0=100 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 3 assignments used, quality = 1.00: * HG2 PRO 113 + HD3 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 113 + HD3 PRO 113 OK 78 78 100 100 3.0-3.0 3.0=100 HB2 PRO 58 - HD3 PRO 113 far 0 89 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 3582 from aliabs.peaks (2.06, 3.94, 50.81 ppm; 3.57 A): 3 out of 6 assignments used, quality = 1.00: * HG3 PRO 113 + HD3 PRO 113 OK 100 100 100 100 3.0-3.0 2.3=100 HG2 PRO 117 + HD3 PRO 117 OK 71 71 100 100 2.3-2.3 2.3=100 HG3 PRO 117 + HD3 PRO 117 OK 71 71 100 100 2.7-2.7 2.3=100 HB VAL 118 - HD3 PRO 117 far 0 70 0 - 4.4-4.7 HB2 GLU 102 - HD3 PRO 117 far 0 46 0 - 6.5-9.7 HG3 PRO 113 - HD3 PRO 117 far 0 73 0 - 9.8-12.0 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 1 assignment used, quality = 1.00: * HD2 PRO 113 + HD3 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 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 4 assignments used, quality = 1.00: * HB2 PRO 113 + HA PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 113 + HA PRO 113 OK 65 78 100 83 4.0-4.0 3.8=71, 11495/11563=21...(4) HB2 ARG 90 - HA CYS 73 far 0 54 0 - 7.6-9.4 HG LEU 53 - HA PRO 113 far 0 68 0 - 8.7-11.4 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 3 assignments used, quality = 1.00: * HB3 PRO 113 + HA PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 HB VAL 132 - HA CYS 73 far 0 53 0 - 7.7-8.3 HG2 GLN 61 - HA PRO 113 far 0 99 0 - 9.1-12.9 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 6 assignments used, quality = 0.97: * HG2 PRO 113 + HA PRO 113 OK 85 100 100 85 4.0-4.0 3.8=71, 11568/4.9=24...(4) HB2 PRO 113 + HA PRO 113 OK 78 78 100 100 2.3-2.3 2.3=100 HB2 ARG 90 - HA CYS 73 far 0 40 0 - 7.6-9.4 HB3 ARG 90 - HA CYS 73 far 0 40 0 - 7.8-8.9 HG LEU 53 - HA PRO 113 far 0 100 0 - 8.7-11.4 HB2 PRO 58 - HA PRO 113 far 0 89 0 - 8.9-11.3 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 5 assignments used, quality = 1.00: * HG3 PRO 113 + HA PRO 113 OK 100 100 100 100 3.9-3.9 3.8=100 HB2 LEU 62 - HA PRO 113 far 0 100 0 - 8.2-11.1 HB3 GLU 55 - HA PRO 113 far 0 90 0 - 8.3-10.2 HB VAL 118 - HA PRO 113 far 0 99 0 - 9.2-11.7 HG3 PRO 58 - HA PRO 113 far 0 99 0 - 9.4-11.8 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 5 assignments used, quality = 1.00: * HD3 PRO 113 + HA PRO 113 OK 100 100 100 100 3.6-3.6 3.6=100 HA2 GLY 111 - HA PRO 113 far 0 100 0 - 6.5-6.6 HA3 GLY 111 - HA PRO 113 far 0 98 0 - 6.5-7.6 HD3 PRO 117 - HA PRO 113 far 0 90 0 - 9.7-11.4 HB2 SER 107 - HA PRO 113 far 0 87 0 - 9.8-13.2 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 1 assignment used, quality = 1.00: * HA PRO 113 + HB2 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 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 1 assignment used, quality = 1.00: * HB3 PRO 113 + HB2 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 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 2 assignments used, quality = 1.00: * HG3 PRO 113 + HB2 PRO 113 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 GLU 55 - HB2 PRO 113 far 0 90 0 - 8.3-10.8 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 3.9-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3600 from aliabs.peaks (3.94, 1.91, 31.65 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 113 + HB2 PRO 113 OK 100 100 100 100 3.0-3.0 3.0=100 HA2 GLY 111 - HB2 PRO 113 far 0 100 0 - 7.6-8.3 HA3 GLY 111 - HB2 PRO 113 far 0 98 0 - 7.8-8.4 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 8 assignments used, quality = 1.00: * HA PRO 113 + HB3 PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 HA GLN 134 - HB VAL 132 far 0 77 0 - 7.5-7.7 HA SER 9 - HB VAL 105 far 0 84 0 - 7.6-45.0 HA CYS 73 - HB VAL 132 far 0 77 0 - 7.7-8.3 HA SER 107 - HB VAL 105 far 0 65 0 - 7.8-8.4 HA SER 9 - HB VAL 132 far 0 72 0 - 8.6-50.5 HA CYS 125 - HB VAL 132 far 0 80 0 - 9.1-9.9 HA PRO 117 - HB3 PRO 113 far 0 100 0 - 9.3-11.4 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 7 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 2.7-2.7 2.3=100 HB2 ARG 135 - HB VAL 132 far 0 61 0 - 5.7-7.3 HB2 ARG 90 - HB VAL 132 far 0 84 0 - 8.0-8.9 HB3 ARG 84 - HB VAL 132 far 0 82 0 - 8.6-10.2 HB2 MET 11 - HB VAL 132 far 0 81 0 - 9.9-46.0 HG LEU 53 - HB3 PRO 113 far 0 68 0 - 10.0-13.8 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 9 assignments used, quality = 1.00: * HG2 PRO 113 + HB3 PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 PRO 113 + HB3 PRO 113 OK 78 78 100 100 1.8-1.8 1.8=100 HB3 LYS 86 - HB VAL 132 far 0 53 0 - 7.8-8.4 HB2 ARG 90 - HB VAL 132 far 0 65 0 - 8.0-8.9 HB3 ARG 84 - HB VAL 132 far 0 46 0 - 8.6-10.2 HB3 ARG 90 - HB VAL 132 far 0 65 0 - 9.2-9.9 HB3 PRO 81 - HB VAL 132 far 0 63 0 - 9.7-10.8 HB2 MET 11 - HB VAL 132 far 0 74 0 - 9.9-46.0 HG LEU 53 - HB3 PRO 113 far 0 100 0 - 10.0-13.8 Violated in 0 structures by 0.00 A. Peak 3606 from aliabs.peaks (2.06, 2.27, 31.65 ppm; 3.08 A): 1 out of 11 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 far 0 53 0 - 4.3-5.1 HB2 GLU 102 - HB VAL 105 far 0 65 0 - 6.2-7.4 HG3 GLN 134 - HB VAL 132 far 0 65 0 - 6.3-8.6 HB2 GLU 128 - HB VAL 132 far 0 57 0 - 7.1-8.2 HG3 PRO 81 - HB VAL 132 far 0 81 0 - 7.4-9.7 QE MET 11 - HB VAL 132 far 0 42 0 - 8.6-40.4 HB3 GLU 91 - HB VAL 132 far 0 53 0 - 9.4-10.3 HB3 GLU 55 - HB3 PRO 113 far 0 90 0 - 9.4-12.0 HB VAL 118 - HB VAL 105 far 0 92 0 - 9.5-10.7 HB2 PRO 81 - HB VAL 132 far 0 57 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 3607 from aliabs.peaks (3.70, 2.27, 31.65 ppm; 4.20 A increased from 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HB3 PRO 113 OK 100 100 100 100 4.0-4.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3608 from aliabs.peaks (3.94, 2.27, 31.65 ppm; 4.11 A increased from 3.87 A): 1 out of 6 assignments used, quality = 1.00: * HD3 PRO 113 + HB3 PRO 113 OK 100 100 100 100 3.9-3.9 3.0=100 HB3 SER 107 - HB VAL 105 far 0 68 0 - 6.6-8.5 HB2 SER 107 - HB VAL 105 far 0 79 0 - 6.7-8.8 HA2 GLY 111 - HB3 PRO 113 far 0 100 0 - 8.7-9.0 HA3 GLY 111 - HB3 PRO 113 far 0 98 0 - 8.8-9.6 HA LEU 100 - HB VAL 105 far 0 55 0 - 9.0-9.5 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 1 assignment used, quality = 1.00: * HA PRO 113 + HG2 PRO 113 OK 100 100 100 100 4.0-4.0 3.8=100 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 1 assignment used, quality = 1.00: * HB3 PRO 113 + HG2 PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 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 1 assignment used, quality = 1.00: * HG3 PRO 113 + HG2 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 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 2.7-2.7 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 3 assignments used, quality = 1.00: * HD3 PRO 113 + HG2 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HA3 GLY 111 - HG2 PRO 113 far 0 98 0 - 8.2-8.5 HA2 GLY 111 - HG2 PRO 113 far 0 100 0 - 8.2-9.0 Violated in 0 structures by 0.00 A. Peak 3618 from aliabs.peaks (4.36, 2.06, 27.50 ppm; 5.05 A): 3 out of 12 assignments used, quality = 1.00: * HA PRO 113 + HG3 PRO 113 OK 100 100 100 100 3.9-3.9 3.8=100 HA PRO 117 + HG2 PRO 117 OK 88 88 100 100 3.9-3.9 3.8=100 HA PRO 117 + HG3 PRO 117 OK 88 88 100 100 4.0-4.0 3.8=100 HA ASP 47 - HB2 GLN 127 poor 11 44 25 - 5.4-7.5 HA GLN 134 - HG3 PRO 81 far 4 77 5 - 5.3-7.0 HA CYS 125 - HB2 GLN 127 far 0 77 0 - 6.0-7.3 HA SER 107 - HG2 PRO 117 far 0 58 0 - 7.0-10.1 HA SER 107 - HG3 PRO 117 far 0 58 0 - 8.1-11.1 HA PRO 113 - HG3 PRO 58 far 0 76 0 - 9.4-11.8 HA SER 107 - HG3 PRO 58 far 0 49 0 - 9.5-13.0 HA SER 9 - HB2 GLN 127 far 0 69 0 - 9.6-54.3 HA PRO 117 - HG3 PRO 113 far 0 100 0 - 9.8-11.6 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 7 assignments used, quality = 1.00: * HB2 PRO 113 + HG3 PRO 113 OK 100 100 100 100 3.0-3.0 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 0 61 0 - 5.1-9.0 HB3 LEU 49 - HB2 GLN 127 far 0 80 0 - 7.3-8.7 HG LEU 53 - HB2 GLN 127 far 0 48 0 - 7.9-9.9 HB3 ARG 84 - HG3 PRO 81 far 0 82 0 - 8.6-12.3 HB3 LEU 48 - HB2 GLN 127 far 0 68 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 3620 from aliabs.peaks (2.27, 2.06, 27.50 ppm; 3.43 A): 2 out of 5 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 27 27 100 100 2.3-3.0 2.3=100 HG2 GLN 61 - HG3 PRO 58 far 0 74 0 - 4.8-6.3 HB VAL 132 - HG3 PRO 81 far 0 82 0 - 7.4-9.7 HG2 GLU 40 - HG3 PRO 81 far 0 72 0 - 8.4-14.8 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 8 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 3.0-3.0 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 2.7-2.7 2.3=100 HB3 LYS 86 - HG3 PRO 81 far 0 53 0 - 7.1-10.0 HB3 LEU 49 - HB2 GLN 127 far 0 66 0 - 7.3-8.7 HG LEU 53 - HB2 GLN 127 far 0 81 0 - 7.9-9.9 HB3 ARG 84 - HG3 PRO 81 far 0 46 0 - 8.6-12.3 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 1 assignment used, quality = 1.00: * HD2 PRO 113 + HG3 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 3624 from aliabs.peaks (3.94, 2.06, 27.50 ppm; 4.33 A): 3 out of 18 assignments used, quality = 1.00: * HD3 PRO 113 + HG3 PRO 113 OK 100 100 100 100 3.0-3.0 2.3=100 HD3 PRO 117 + HG2 PRO 117 OK 74 74 100 100 2.3-2.3 2.3=100 HD3 PRO 117 + HG3 PRO 117 OK 74 74 100 100 2.7-2.7 2.3=100 HB2 SER 60 - HG3 PRO 58 poor 18 41 45 - 4.5-6.5 HB3 SER 60 - HG3 PRO 58 poor 12 41 30 - 4.7-6.6 HA2 GLY 111 - HG3 PRO 58 far 7 75 10 - 4.5-6.3 HA3 GLY 111 - HG3 PRO 58 far 0 72 0 - 5.3-6.2 HB2 SER 107 - HG3 PRO 58 far 0 60 0 - 7.7-11.5 HB2 SER 107 - HG2 PRO 117 far 0 70 0 - 7.7-12.0 HB3 SER 107 - HG2 PRO 117 far 0 60 0 - 7.8-10.9 HA2 GLY 111 - HG3 PRO 113 far 0 100 0 - 8.4-8.8 HA3 GLY 111 - HG3 PRO 113 far 0 98 0 - 8.4-8.9 HB3 SER 107 - HG3 PRO 58 far 0 51 0 - 8.8-12.0 HB2 SER 107 - HG3 PRO 117 far 0 70 0 - 9.1-13.3 HB2 SER 51 - HB2 GLN 127 far 0 80 0 - 9.2-11.9 HB3 SER 107 - HG3 PRO 117 far 0 60 0 - 9.2-12.3 HA LEU 100 - HG2 PRO 117 far 0 49 0 - 9.5-10.6 HD3 PRO 117 - HG3 PRO 113 far 0 90 0 - 9.8-12.0 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 - 8.0-9.4 HA CYS 79 - HA3 GLY 75 far 0 57 0 - 8.2-8.7 HA ILE 80 - HA3 GLY 75 far 0 73 0 - 9.5-9.9 HA ALA 52 - HA2 GLY 114 far 0 99 0 - 10.0-12.5 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 - 6.7-8.5 HA2 GLY 2 - HA3 GLY 114 far 0 93 0 - 7.4-72.3 HA3 GLY 2 - HA3 GLY 114 far 0 92 0 - 7.5-71.9 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 2 assignments used, quality = 1.00: * HB THR 115 + HA THR 115 OK 100 100 100 100 2.6-2.7 3.0=96, 2.1/3645=56...(12) HA ALA 109 - HA THR 115 far 0 100 0 - 7.9-10.4 Violated in 0 structures by 0.00 A. Peak 3637 from aliabs.peaks (1.13, 4.40, 61.45 ppm; 3.24 A increased from 2.88 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 115 + HA THR 115 OK 100 100 100 100 3.1-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 3640 from aliabs.peaks (4.40, 4.27, 69.62 ppm; 3.04 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 115 + HB THR 115 OK 100 100 100 100 2.6-2.7 3.0=100 HA VAL 112 - HB THR 115 far 0 83 0 - 4.2-4.9 HA SER 107 - HB THR 115 far 0 97 0 - 7.3-9.2 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; 3.19 A increased from 2.83 A): 1 out of 6 assignments used, quality = 1.00: * HA THR 115 + QG2 THR 115 OK 100 100 100 100 3.1-3.2 3.2=98, 3636/2.1=73...(15) HA VAL 112 - QG2 THR 115 far 0 83 0 - 4.1-4.7 HA SER 107 - QG2 THR 115 far 0 97 0 - 4.1-5.9 HA ASN 120 - QG2 THR 115 far 0 73 0 - 8.8-9.1 HA HIS 5 - QG2 THR 115 far 0 96 0 - 9.7-51.3 HA THR 54 - QG2 THR 115 far 0 71 0 - 9.9-11.5 Violated in 2 structures by 0.00 A. Peak 3646 from aliabs.peaks (4.27, 1.13, 21.32 ppm; 2.66 A): 1 out of 4 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 109 - QG2 THR 115 far 0 100 0 - 3.6-5.6 HA ALA 108 - QG2 THR 115 far 0 100 0 - 6.6-8.4 HA ALA 110 - QG2 THR 115 far 0 96 0 - 6.6-8.4 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 2.6-2.9 3.0=100 HB3 ASN 59 - HA ASN 116 far 0 73 0 - 8.2-9.5 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 1 assignment used, quality = 1.00: * HB3 ASN 116 + HA ASN 116 OK 100 100 100 100 2.3-2.9 3.0=100 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 2.6-2.9 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 1 assignment used, quality = 1.00: * HB3 ASN 116 + HB2 ASN 116 OK 100 100 100 100 1.8-1.8 1.8=100 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 2.3-2.9 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 0 73 0 - 6.0-7.4 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 2.3-2.3 3668=97, 3670/1.8=70...(19) 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 2 assignments used, quality = 1.00: * HD2 PRO 117 + HA ASN 116 OK 100 100 100 100 2.3-2.3 3667=100, 1.8/3670=77...(19) HA2 GLY 114 - HA ASN 116 far 0 68 0 - 5.9-6.6 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 2.1-2.3 3670=100, 3667/1.8=74...(21) HA ASN 116 - HD3 PRO 113 far 0 73 0 - 9.6-10.8 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 6 assignments used, quality = 1.00: * HD3 PRO 117 + HA ASN 116 OK 100 100 100 100 2.1-2.3 3669=100, 1.8/3667=79...(22) HB3 SER 106 - HA ASN 116 far 0 65 0 - 6.1-8.5 HB2 SER 106 - HA ASN 116 far 0 93 0 - 6.4-8.0 HB3 SER 107 - HA ASN 116 far 0 99 0 - 7.3-9.8 HA2 GLY 111 - HA ASN 116 far 0 81 0 - 9.3-12.1 HD3 PRO 113 - HA ASN 116 far 0 90 0 - 9.6-10.8 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 3.6-3.6 3.6=100 HA GLN 134 - HD2 PRO 81 far 0 92 0 - 6.6-7.7 HA SER 107 - HD2 PRO 117 far 0 71 0 - 7.1-9.8 HA ASP 78 - HD2 PRO 81 far 0 78 0 - 8.4-8.8 HA CYS 73 - HD2 PRO 81 far 0 90 0 - 8.9-10.0 HA PRO 113 - HD2 PRO 117 far 0 100 0 - 9.7-11.3 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 3.0-3.0 3.0=100 HG2 GLU 102 - HD2 PRO 117 far 0 57 0 - 7.9-10.6 HB VAL 77 - HD2 PRO 81 far 0 82 0 - 8.1-8.7 HB3 GLN 134 - HD2 PRO 81 far 0 56 0 - 8.5-9.7 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 6 assignments used, quality = 1.00: * HB3 PRO 117 + HD2 PRO 117 OK 100 100 100 100 3.9-3.9 3.0=100 HG2 PRO 81 + HD2 PRO 81 OK 98 98 100 100 2.3-2.7 2.3=100 HB2 PRO 81 + HD2 PRO 81 OK 35 35 100 100 3.9-3.9 3.0=100 HG3 ARG 135 - HD2 PRO 81 far 0 64 0 - 6.5-7.6 HB2 GLN 134 - HD2 PRO 81 far 0 89 0 - 9.0-10.0 HG2 ARG 90 - HD2 PRO 81 far 0 86 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 3674 from aliabs.peaks (2.05, 3.86, 50.85 ppm; 3.86 A): 4 out of 11 assignments used, quality = 1.00: HG3 PRO 117 + HD2 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 * HG2 PRO 117 + HD2 PRO 117 OK 100 100 100 100 3.0-3.0 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 3.9-3.9 3.0=100 HB VAL 118 - HD2 PRO 117 far 0 93 0 - 5.9-6.2 HB3 LYS 39 - HD2 PRO 81 far 0 61 0 - 6.0-8.3 HG3 ARG 135 - HD2 PRO 81 far 0 80 0 - 6.5-7.6 HB2 GLU 102 - HD2 PRO 117 far 0 57 0 - 8.2-11.3 HG3 GLN 134 - HD2 PRO 81 far 0 66 0 - 8.6-10.0 HG3 PRO 113 - HD2 PRO 117 far 0 99 0 - 9.4-11.4 HG2 ARG 90 - HD2 PRO 81 far 0 56 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 3675 from aliabs.peaks (2.05, 3.86, 50.85 ppm; 3.86 A): 4 out of 11 assignments used, quality = 1.00: * HG3 PRO 117 + HD2 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 117 + HD2 PRO 117 OK 100 100 100 100 3.0-3.0 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 3.9-3.9 3.0=100 HB VAL 118 - HD2 PRO 117 far 0 93 0 - 5.9-6.2 HB3 LYS 39 - HD2 PRO 81 far 0 61 0 - 6.0-8.3 HG3 ARG 135 - HD2 PRO 81 far 0 80 0 - 6.5-7.6 HB2 GLU 102 - HD2 PRO 117 far 0 57 0 - 8.2-11.3 HG3 GLN 134 - HD2 PRO 81 far 0 66 0 - 8.6-10.0 HG3 PRO 113 - HD2 PRO 117 far 0 99 0 - 9.4-11.4 HG2 ARG 90 - HD2 PRO 81 far 0 56 0 - 9.4-10.4 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 4 assignments used, quality = 1.00: * HD3 PRO 117 + HD2 PRO 117 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 SER 106 - HD2 PRO 117 far 0 65 0 - 6.9-8.6 HB2 SER 106 - HD2 PRO 117 far 0 93 0 - 7.2-8.2 HB3 SER 107 - HD2 PRO 117 far 0 99 0 - 8.5-11.4 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 4 assignments used, quality = 1.00: * HA PRO 117 + HD3 PRO 117 OK 100 100 100 100 4.1-4.1 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 18 71 25 - 5.6-8.5 HA PRO 113 - HD3 PRO 117 far 0 100 0 - 9.7-11.4 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 2 assignments used, quality = 1.00: * HB2 PRO 117 + HD3 PRO 117 OK 100 100 100 100 3.9-3.9 3.0=100 HG2 GLU 102 - HD3 PRO 117 far 0 57 0 - 6.4-9.0 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 5 assignments used, quality = 1.00: * HB3 PRO 117 + HD3 PRO 117 OK 100 100 100 100 4.0-4.0 3.0=100 HB3 PRO 56 - HD3 PRO 113 poor 18 71 25 - 4.8-6.5 HG3 PRO 56 - HD3 PRO 113 far 0 72 0 - 7.0-8.7 HG2 PRO 56 - HD3 PRO 113 far 0 73 0 - 7.5-9.3 HB2 GLU 55 - HD3 PRO 113 far 0 60 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 3682 from aliabs.peaks (2.05, 3.95, 50.85 ppm; 3.84 A): 3 out of 6 assignments used, quality = 1.00: * HG2 PRO 117 + HD3 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 117 + HD3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HG3 PRO 113 + HD3 PRO 113 OK 71 71 100 100 3.0-3.0 2.3=100 HB VAL 118 - HD3 PRO 117 far 0 93 0 - 4.4-4.7 HB2 GLU 102 - HD3 PRO 117 far 0 57 0 - 6.5-9.7 HG3 PRO 113 - HD3 PRO 117 far 0 99 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 3683 from aliabs.peaks (2.05, 3.95, 50.85 ppm; 3.84 A): 3 out of 6 assignments used, quality = 1.00: HG2 PRO 117 + HD3 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 * HG3 PRO 117 + HD3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HG3 PRO 113 + HD3 PRO 113 OK 71 71 100 100 3.0-3.0 2.3=100 HB VAL 118 - HD3 PRO 117 far 0 93 0 - 4.4-4.7 HB2 GLU 102 - HD3 PRO 117 far 0 57 0 - 6.5-9.7 HG3 PRO 113 - HD3 PRO 117 far 0 99 0 - 9.8-12.0 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 3 assignments used, quality = 1.00: * HD2 PRO 117 + HD3 PRO 117 OK 100 100 100 100 1.8-1.8 1.8=100 HA2 GLY 114 - HD3 PRO 113 far 0 42 0 - 7.1-7.4 HA2 GLY 114 - HD3 PRO 117 far 0 68 0 - 7.5-8.2 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): 1 out of 4 assignments used, quality = 0.95: * HB2 PRO 117 + HA PRO 117 OK 95 95 100 100 2.3-2.3 2.3=100 HB VAL 77 - HA CYS 73 far 0 42 0 - 4.0-4.4 HG2 GLU 102 - HA PRO 117 far 0 50 0 - 8.6-10.4 HG2 GLU 128 - HA CYS 73 far 0 44 0 - 9.6-11.1 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 4 assignments used, quality = 0.95: * HB3 PRO 117 + HA PRO 117 OK 95 95 100 100 2.7-2.7 2.3=100 HG2 ARG 90 - HA CYS 73 far 0 45 0 - 5.4-7.7 HB ILE 129 - HA CYS 73 far 0 55 0 - 5.6-6.7 HB3 LEU 53 - HA PRO 117 far 0 86 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 3690 from aliabs.peaks (2.05, 4.36, 64.64 ppm; 4.06 A increased from 3.82 A): 2 out of 6 assignments used, quality = 1.00: * HG2 PRO 117 + HA PRO 117 OK 95 95 100 100 3.9-3.9 3.8=100 HG3 PRO 117 + HA PRO 117 OK 95 95 100 100 4.0-4.0 3.8=100 HG2 ARG 90 - HA CYS 73 far 0 27 0 - 5.4-7.7 HB VAL 118 - HA PRO 117 far 0 85 0 - 5.6-5.8 HB2 GLU 102 - HA PRO 117 far 0 50 0 - 8.5-11.7 HG3 PRO 113 - HA PRO 117 far 0 93 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 3691 from aliabs.peaks (2.05, 4.36, 64.64 ppm; 4.06 A increased from 3.82 A): 2 out of 6 assignments used, quality = 1.00: HG2 PRO 117 + HA PRO 117 OK 95 95 100 100 3.9-3.9 3.8=100 * HG3 PRO 117 + HA PRO 117 OK 95 95 100 100 4.0-4.0 3.8=100 HG2 ARG 90 - HA CYS 73 far 0 27 0 - 5.4-7.7 HB VAL 118 - HA PRO 117 far 0 85 0 - 5.6-5.8 HB2 GLU 102 - HA PRO 117 far 0 50 0 - 8.5-11.7 HG3 PRO 113 - HA PRO 117 far 0 93 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 3692 from aliabs.peaks (3.86, 4.36, 64.64 ppm; 4.25 A): 1 out of 5 assignments used, quality = 0.95: * HD2 PRO 117 + HA PRO 117 OK 95 95 100 100 3.6-3.6 3.6=100 HA LEU 70 - HA CYS 73 poor 8 33 25 - 4.8-5.5 HA2 GLY 114 - HA PRO 117 far 0 60 0 - 5.8-6.4 HD2 PRO 81 - HA CYS 73 far 0 55 0 - 8.9-10.0 HB3 SER 33 - HA CYS 73 far 0 40 0 - 9.6-10.6 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 4 assignments used, quality = 0.95: * HD3 PRO 117 + HA PRO 117 OK 95 95 100 100 4.1-4.1 3.6=100 HB2 SER 106 - HA PRO 117 far 0 85 0 - 9.1-10.6 HB3 SER 106 - HA PRO 117 far 0 57 0 - 9.2-10.9 HB3 SER 107 - HA PRO 117 far 0 92 0 - 9.4-12.1 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 6 assignments used, quality = 1.00: * HA PRO 117 + HB2 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HA CYS 73 - HB VAL 77 far 0 35 0 - 4.0-4.4 HA ASP 78 - HB VAL 77 far 0 28 0 - 5.4-5.5 HA SER 107 - HB2 PRO 117 far 0 71 0 - 9.2-11.9 HA LEU 69 - HB VAL 77 far 0 32 0 - 9.6-9.9 HA SER 9 - HB2 PRO 117 far 0 90 0 - 9.7-52.4 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 poor 8 32 25 - 2.4-4.2 HB VAL 20 - HB VAL 77 far 0 39 0 - 7.9-31.4 HB ILE 129 - HB VAL 77 far 0 40 0 - 8.3-8.9 HB3 MET 11 - HB VAL 77 far 0 39 0 - 8.7-37.7 QE MET 11 - HB VAL 77 far 0 27 0 - 9.0-33.9 HB2 GLU 91 - HB VAL 77 far 0 36 0 - 9.2-9.9 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 5 assignments used, quality = 1.00: HG3 PRO 117 + HB2 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 * HG2 PRO 117 + HB2 PRO 117 OK 100 100 100 100 3.0-3.0 2.3=100 HB VAL 118 - HB2 PRO 117 far 0 93 0 - 6.7-6.9 HB2 GLU 102 - HB2 PRO 117 far 0 57 0 - 8.6-11.5 QE MET 11 - HB VAL 77 far 0 24 0 - 9.0-33.9 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 5 assignments used, quality = 1.00: * HG3 PRO 117 + HB2 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 117 + HB2 PRO 117 OK 100 100 100 100 3.0-3.0 2.3=100 HB VAL 118 - HB2 PRO 117 far 0 93 0 - 6.7-6.9 HB2 GLU 102 - HB2 PRO 117 far 0 57 0 - 8.6-11.5 QE MET 11 - HB VAL 77 far 0 24 0 - 9.0-33.9 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 4 assignments used, quality = 1.00: * HD2 PRO 117 + HB2 PRO 117 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 70 - HB VAL 77 far 0 23 0 - 7.5-7.9 HA2 GLY 114 - HB2 PRO 117 far 0 68 0 - 7.6-8.4 HD2 PRO 81 - HB VAL 77 far 0 40 0 - 8.1-8.7 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 7 assignments used, quality = 1.00: * HD3 PRO 117 + HB2 PRO 117 OK 100 100 100 100 3.9-3.9 3.0=100 HA GLU 91 - HB VAL 77 far 0 27 0 - 8.9-9.6 HB2 SER 106 - HB2 PRO 117 far 0 93 0 - 9.1-10.6 HA3 GLY 17 - HB VAL 77 far 0 40 0 - 9.1-35.5 HB3 SER 106 - HB2 PRO 117 far 0 65 0 - 9.2-10.4 HB3 SER 94 - HB VAL 77 far 0 28 0 - 9.3-10.5 HA2 GLY 17 - HB VAL 77 far 0 40 0 - 9.7-36.5 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 4 assignments used, quality = 1.00: * HA PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HA SER 107 - HB VAL 63 far 0 28 0 - 7.2-10.2 HA SER 9 - HB3 PRO 117 far 0 90 0 - 8.8-50.9 HA SER 107 - HB3 PRO 117 far 0 71 0 - 8.9-11.7 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 3 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 far 0 30 0 - 4.5-6.5 HG2 GLU 102 - HB3 PRO 117 far 0 57 0 - 6.9-9.1 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): 2 out of 8 assignments used, quality = 1.00: * HG2 PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 LEU 62 - HB VAL 63 poor 12 48 25 - 5.3-6.0 HB VAL 118 - HB3 PRO 117 far 0 93 0 - 5.8-6.0 HB2 GLU 102 - HB3 PRO 117 far 0 57 0 - 7.3-10.1 HG2 PRO 58 - HB VAL 63 far 0 28 0 - 7.3-7.8 HG3 PRO 58 - HB VAL 63 far 0 43 0 - 8.9-9.4 HB VAL 118 - HB VAL 63 far 0 41 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 3707 from aliabs.peaks (2.05, 2.01, 31.74 ppm; 4.74 A): 2 out of 8 assignments used, quality = 1.00: HG2 PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 * HG3 PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 LEU 62 - HB VAL 63 poor 12 48 25 - 5.3-6.0 HB VAL 118 - HB3 PRO 117 far 0 93 0 - 5.8-6.0 HB2 GLU 102 - HB3 PRO 117 far 0 57 0 - 7.3-10.1 HG2 PRO 58 - HB VAL 63 far 0 28 0 - 7.3-7.8 HG3 PRO 58 - HB VAL 63 far 0 43 0 - 8.9-9.4 HB VAL 118 - HB VAL 63 far 0 41 0 - 9.1-10.1 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 3 assignments used, quality = 1.00: * HD2 PRO 117 + HB3 PRO 117 OK 100 100 100 100 3.9-3.9 3.0=100 HA LEU 62 - HB VAL 63 far 0 33 0 - 5.7-5.9 HA2 GLY 114 - HB3 PRO 117 far 0 68 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 3709 from aliabs.peaks (3.95, 2.01, 31.74 ppm; 4.16 A): 1 out of 8 assignments used, quality = 1.00: * HD3 PRO 117 + HB3 PRO 117 OK 100 100 100 100 4.0-4.0 3.0=100 HB3 SER 107 - HB VAL 63 far 0 47 0 - 5.0-7.7 HA LEU 100 - HB VAL 63 far 0 43 0 - 6.1-7.1 HA THR 65 - HB VAL 63 far 0 37 0 - 7.3-7.4 HB2 SER 106 - HB3 PRO 117 far 0 93 0 - 8.6-10.4 HB3 SER 106 - HB3 PRO 117 far 0 65 0 - 8.9-9.9 HA2 GLY 111 - HB VAL 63 far 0 33 0 - 9.5-11.7 HB3 SER 107 - HB3 PRO 117 far 0 99 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 3711 from aliabs.peaks (4.36, 2.05, 27.30 ppm; 4.05 A increased from 3.82 A): 3 out of 9 assignments used, quality = 1.00: * HA PRO 117 + HG2 PRO 117 OK 100 100 100 100 3.9-3.9 3.8=100 HA PRO 117 + HG3 PRO 117 OK 100 100 100 100 4.0-4.0 3.8=100 HA PRO 113 + HG3 PRO 113 OK 88 88 100 100 3.9-3.9 3.8=100 HA GLN 134 - HG3 ARG 135 far 0 56 0 - 5.3-6.7 HA GLN 134 - HG3 PRO 81 far 0 96 0 - 5.3-7.0 HA SER 107 - HG2 PRO 117 far 0 71 0 - 7.0-10.1 HA SER 107 - HG3 PRO 117 far 0 71 0 - 8.1-11.1 HA SER 9 - HG3 ARG 135 far 0 50 0 - 8.3-55.0 HA PRO 117 - HG3 PRO 113 far 0 88 0 - 9.8-11.6 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 7 assignments used, quality = 1.00: HB2 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 * HB2 PRO 117 + HG2 PRO 117 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 GLN 134 - HG3 ARG 135 far 0 30 0 - 4.7-8.1 HG2 GLU 102 - HG2 PRO 117 far 0 57 0 - 5.4-8.1 HG2 GLU 102 - HG3 PRO 117 far 0 57 0 - 6.8-9.8 HG2 GLU 128 - HG3 ARG 135 far 0 48 0 - 7.6-9.9 HB3 GLN 134 - HG3 PRO 81 far 0 60 0 - 7.8-9.4 Violated in 0 structures by 0.00 A. Peak 3713 from aliabs.peaks (2.01, 2.05, 27.30 ppm; 4.74 A): 4 out of 15 assignments used, quality = 1.00: * HB3 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 81 + HG3 PRO 81 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PRO 81 + HG3 PRO 81 OK 38 38 100 100 2.3-3.0 2.3=100 HG3 ARG 135 - HG3 PRO 81 far 0 68 0 - 5.8-8.8 HG2 PRO 81 - HG3 ARG 135 far 0 61 0 - 5.9-9.0 HB2 GLN 134 - HG3 ARG 135 far 0 52 0 - 6.1-7.6 HB3 PRO 56 - HG3 PRO 113 far 0 86 0 - 6.4-8.6 QE MET 11 - HG3 ARG 135 far 0 43 0 - 7.5-43.3 HB2 GLN 134 - HG3 PRO 81 far 0 93 0 - 7.6-9.7 HG3 PRO 56 - HG3 PRO 113 far 0 87 0 - 8.6-10.8 HB3 MET 11 - HG3 ARG 135 far 0 60 0 - 8.9-48.8 HB ILE 129 - HG3 ARG 135 far 0 61 0 - 9.2-10.5 HG2 PRO 56 - HG3 PRO 113 far 0 88 0 - 9.3-11.6 HB VAL 20 - HG3 PRO 81 far 0 99 0 - 10.0-35.9 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 9 assignments used, quality = 1.00: HD2 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 * HD2 PRO 117 + HG2 PRO 117 OK 100 100 100 100 3.0-3.0 2.3=100 HD2 PRO 81 + HG3 PRO 81 OK 100 100 100 100 2.3-2.7 2.3=100 HA2 GLY 114 - HG3 PRO 113 far 0 53 0 - 4.8-6.3 HD2 PRO 81 - HG3 ARG 135 far 0 61 0 - 6.5-7.6 HA2 GLY 114 - HG2 PRO 117 far 0 68 0 - 8.8-9.3 HA2 GLY 114 - HG3 PRO 117 far 0 68 0 - 8.9-9.6 HA GLU 40 - HG3 PRO 81 far 0 68 0 - 9.3-11.8 HD2 PRO 117 - HG3 PRO 113 far 0 88 0 - 9.4-11.4 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 13 assignments used, quality = 1.00: * HD3 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HD3 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HD3 PRO 113 + HG3 PRO 113 OK 74 74 100 100 3.0-3.0 2.3=100 HB2 SER 106 - HG2 PRO 117 far 0 93 0 - 6.4-8.1 HB3 SER 106 - HG2 PRO 117 far 0 65 0 - 6.6-7.6 HB3 SER 106 - HG3 PRO 117 far 0 65 0 - 7.3-8.4 HB2 SER 106 - HG3 PRO 117 far 0 93 0 - 7.5-8.8 HB3 SER 107 - HG2 PRO 117 far 0 99 0 - 7.8-10.9 HA2 GLY 111 - HG3 PRO 113 far 0 64 0 - 8.4-8.8 HA3 GLY 111 - HG3 PRO 113 far 0 85 0 - 8.4-8.9 HB3 SER 107 - HG3 PRO 117 far 0 99 0 - 9.2-12.3 HA LEU 100 - HG2 PRO 117 far 0 96 0 - 9.5-10.6 HD3 PRO 117 - HG3 PRO 113 far 0 88 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 3719 from aliabs.peaks (4.36, 2.05, 27.30 ppm; 4.05 A increased from 3.82 A): 3 out of 9 assignments used, quality = 1.00: HA PRO 117 + HG2 PRO 117 OK 100 100 100 100 3.9-3.9 3.8=100 * HA PRO 117 + HG3 PRO 117 OK 100 100 100 100 4.0-4.0 3.8=100 HA PRO 113 + HG3 PRO 113 OK 88 88 100 100 3.9-3.9 3.8=100 HA GLN 134 - HG3 ARG 135 far 0 56 0 - 5.3-6.7 HA GLN 134 - HG3 PRO 81 far 0 96 0 - 5.3-7.0 HA SER 107 - HG2 PRO 117 far 0 71 0 - 7.0-10.1 HA SER 107 - HG3 PRO 117 far 0 71 0 - 8.1-11.1 HA SER 9 - HG3 ARG 135 far 0 50 0 - 8.3-55.0 HA PRO 117 - HG3 PRO 113 far 0 88 0 - 9.8-11.6 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 7 assignments used, quality = 1.00: * HB2 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 117 + HG2 PRO 117 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 GLN 134 - HG3 ARG 135 far 0 30 0 - 4.7-8.1 HG2 GLU 102 - HG2 PRO 117 far 0 57 0 - 5.4-8.1 HG2 GLU 102 - HG3 PRO 117 far 0 57 0 - 6.8-9.8 HG2 GLU 128 - HG3 ARG 135 far 0 48 0 - 7.6-9.9 HB3 GLN 134 - HG3 PRO 81 far 0 60 0 - 7.8-9.4 Violated in 0 structures by 0.00 A. Peak 3721 from aliabs.peaks (2.01, 2.05, 27.30 ppm; 4.74 A): 4 out of 15 assignments used, quality = 1.00: HB3 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 * HB3 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 81 + HG3 PRO 81 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PRO 81 + HG3 PRO 81 OK 38 38 100 100 2.3-3.0 2.3=100 HG3 ARG 135 - HG3 PRO 81 far 0 68 0 - 5.8-8.8 HG2 PRO 81 - HG3 ARG 135 far 0 61 0 - 5.9-9.0 HB2 GLN 134 - HG3 ARG 135 far 0 52 0 - 6.1-7.6 HB3 PRO 56 - HG3 PRO 113 far 0 86 0 - 6.4-8.6 QE MET 11 - HG3 ARG 135 far 0 43 0 - 7.5-43.3 HB2 GLN 134 - HG3 PRO 81 far 0 93 0 - 7.6-9.7 HG3 PRO 56 - HG3 PRO 113 far 0 87 0 - 8.6-10.8 HB3 MET 11 - HG3 ARG 135 far 0 60 0 - 8.9-48.8 HB ILE 129 - HG3 ARG 135 far 0 61 0 - 9.2-10.5 HG2 PRO 56 - HG3 PRO 113 far 0 88 0 - 9.3-11.6 HB VAL 20 - HG3 PRO 81 far 0 99 0 - 10.0-35.9 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 9 assignments used, quality = 1.00: * HD2 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 HD2 PRO 117 + HG2 PRO 117 OK 100 100 100 100 3.0-3.0 2.3=100 HD2 PRO 81 + HG3 PRO 81 OK 100 100 100 100 2.3-2.7 2.3=100 HA2 GLY 114 - HG3 PRO 113 far 0 53 0 - 4.8-6.3 HD2 PRO 81 - HG3 ARG 135 far 0 61 0 - 6.5-7.6 HA2 GLY 114 - HG2 PRO 117 far 0 68 0 - 8.8-9.3 HA2 GLY 114 - HG3 PRO 117 far 0 68 0 - 8.9-9.6 HA GLU 40 - HG3 PRO 81 far 0 68 0 - 9.3-11.8 HD2 PRO 117 - HG3 PRO 113 far 0 88 0 - 9.4-11.4 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 13 assignments used, quality = 1.00: HD3 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-2.3 2.3=100 * HD3 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.7-2.7 2.3=100 HD3 PRO 113 + HG3 PRO 113 OK 74 74 100 100 3.0-3.0 2.3=100 HB2 SER 106 - HG2 PRO 117 far 0 93 0 - 6.4-8.1 HB3 SER 106 - HG2 PRO 117 far 0 65 0 - 6.6-7.6 HB3 SER 106 - HG3 PRO 117 far 0 65 0 - 7.3-8.4 HB2 SER 106 - HG3 PRO 117 far 0 93 0 - 7.5-8.8 HB3 SER 107 - HG2 PRO 117 far 0 99 0 - 7.8-10.9 HA2 GLY 111 - HG3 PRO 113 far 0 64 0 - 8.4-8.8 HA3 GLY 111 - HG3 PRO 113 far 0 85 0 - 8.4-8.9 HB3 SER 107 - HG3 PRO 117 far 0 99 0 - 9.2-12.3 HA LEU 100 - HG2 PRO 117 far 0 96 0 - 9.5-10.6 HD3 PRO 117 - HG3 PRO 113 far 0 88 0 - 9.8-12.0 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): 2 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 90 93 100 97 4.1-4.3 3750/3749=27, ~7638=25...(21) HB2 GLU 102 - HA VAL 118 far 0 90 0 - 4.7-7.7 HG3 PRO 117 - HA VAL 118 far 0 93 0 - 5.7-5.9 HB2 LEU 62 - HA VAL 118 far 0 99 0 - 8.1-9.5 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 5 assignments used, quality = 1.00: * QG1 VAL 118 + HA VAL 118 OK 100 100 100 100 2.3-2.5 3.2=100 QD1 LEU 62 - HA VAL 118 far 0 83 0 - 6.1-7.4 QD2 LEU 98 - HA VAL 118 far 0 97 0 - 7.4-9.5 QG2 VAL 63 - HA VAL 118 far 0 89 0 - 7.4-8.2 QD2 LEU 123 - HA VAL 118 far 0 97 0 - 8.1-8.6 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 2 assignments used, quality = 1.00: * QG2 VAL 118 + HA VAL 118 OK 100 100 100 100 2.3-2.5 3749=100, 3748/2.8=54...(17) QG2 VAL 105 - HA VAL 118 far 0 100 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 3734 from aliabs.peaks (2.80, 3.81, 64.89 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + HA VAL 118 OK 100 100 100 100 1.9-3.5 3839=92, 1.8/3735=75...(33) HB3 ASN 120 - HA VAL 118 far 0 100 0 - 5.2-5.6 HB2 ASN 120 - HA VAL 118 far 0 100 0 - 6.2-7.0 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 1 assignment used, quality = 1.00: * HB3 ASN 121 + HA VAL 118 OK 100 100 100 100 1.8-3.2 3847=89, 1.8/3734=74...(29) 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 - 8.9-10.1 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): 1 out of 5 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 far 0 83 0 - 4.9-6.2 QG2 VAL 63 - HB VAL 118 far 0 89 0 - 5.6-6.4 QD2 LEU 123 - HB VAL 118 far 0 97 0 - 8.7-9.4 QD2 LEU 98 - HB VAL 118 far 0 97 0 - 9.1-10.5 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 2 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 - 6.0-7.2 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 2 assignments used, quality = 1.00: * HA VAL 118 + QG1 VAL 118 OK 100 100 100 100 2.3-2.5 3.2=100 HA LEU 62 - QG1 VAL 118 far 0 57 0 - 6.8-7.9 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 6 assignments used, quality = 1.00: * HB VAL 118 + QG1 VAL 118 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLU 102 - QG1 VAL 118 far 14 90 15 - 2.7-5.3 HB2 LEU 62 - QG1 VAL 118 far 0 99 0 - 4.9-6.2 HG2 PRO 117 - QG1 VAL 118 far 0 93 0 - 5.2-5.4 HG3 PRO 117 - QG1 VAL 118 far 0 93 0 - 6.6-6.8 HB VAL 57 - QG1 VAL 118 far 0 73 0 - 9.3-10.6 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 2.0-2.1 2.1=100 QG2 VAL 105 - QG1 VAL 118 far 0 100 0 - 4.7-5.4 QD1 LEU 69 - QG1 VAL 118 far 0 100 0 - 9.7-10.2 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 3 assignments used, quality = 0.99: * HA VAL 118 + QG2 VAL 118 OK 99 100 100 99 2.3-2.5 3731=88, 2.8/3748=50...(16) HA LEU 62 - QG2 VAL 118 far 0 57 0 - 9.1-10.2 HB3 SER 9 - QG2 VAL 118 far 0 99 0 - 9.9-38.7 Violated in 0 structures by 0.00 A. Peak 3750 from aliabs.peaks (2.06, 1.00, 22.19 ppm; 2.66 A): 2 out of 5 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 53 93 100 57 2.6-2.9 2.3/11590=24...(9) HB2 GLU 102 - QG2 VAL 118 far 14 90 15 - 1.9-4.7 HG3 PRO 117 - QG2 VAL 118 far 0 93 0 - 4.2-4.5 HB2 LEU 62 - QG2 VAL 118 far 0 99 0 - 7.0-8.2 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 6 assignments used, quality = 1.00: * QG1 VAL 118 + QG2 VAL 118 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 VAL 63 - QG2 VAL 118 far 0 89 0 - 5.4-6.3 QD1 LEU 62 - QG2 VAL 118 far 0 83 0 - 5.8-6.8 QD2 LEU 98 - QG2 VAL 118 far 0 97 0 - 6.2-7.7 QD2 LEU 123 - QG2 VAL 118 far 0 97 0 - 8.5-9.0 QD1 LEU 49 - QG2 VAL 118 far 0 85 0 - 9.7-10.5 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): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 119 + HA LEU 119 OK 100 100 100 100 2.4-2.4 2.9=100 HB2 LEU 53 + HA LEU 119 OK 28 73 40 97 4.5-7.1 3.1/11845=78...(19) HG LEU 103 - HA LEU 119 far 0 93 0 - 5.8-6.4 HG LEU 123 - HA LEU 119 far 0 81 0 - 7.5-8.3 HG LEU 49 - HA LEU 119 far 0 65 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 3757 from aliabs.peaks (1.87, 4.03, 57.80 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + HA LEU 119 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 LEU 123 - HA LEU 119 far 0 99 0 - 5.0-6.2 Violated in 0 structures by 0.00 A. Peak 3758 from aliabs.peaks (1.62, 4.03, 57.80 ppm; 4.64 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 119 + HA LEU 119 OK 100 100 100 100 2.7-2.9 3.7=100 HG LEU 122 + HA LEU 119 OK 71 89 85 95 3.0-5.8 3.0/3764=68, 4.6/3762=43...(13) HG LEU 62 - HA LEU 119 poor 15 76 20 - 4.8-6.2 HB2 LEU 122 - HA LEU 119 far 5 95 5 - 5.2-5.9 HB2 LEU 123 - HA LEU 119 far 0 65 0 - 5.2-6.3 Violated in 0 structures by 0.00 A. Peak 3759 from aliabs.peaks (0.79, 4.03, 57.80 ppm; 3.27 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 119 + HA LEU 119 OK 100 100 100 100 2.9-3.3 3790=100, 2.1/3798=49...(13) QD1 LEU 103 + HA LEU 119 OK 69 99 95 73 3.0-4.0 3397=32, 11426/2.8=19...(11) QD2 LEU 122 - HA LEU 119 far 15 100 15 - 2.4-5.7 QD1 LEU 122 - HA LEU 119 far 9 89 10 - 3.7-6.2 QD1 LEU 53 - HA LEU 119 far 5 100 5 - 3.8-5.1 QD2 LEU 49 - HA LEU 119 far 0 99 0 - 5.6-6.0 QD1 LEU 96 - HA LEU 119 far 0 90 0 - 6.9-8.0 QG1 VAL 63 - HA LEU 119 far 0 99 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 3760 from aliabs.peaks (0.94, 4.03, 57.80 ppm; 3.76 A): 3 out of 11 assignments used, quality = 1.00: * QD1 LEU 119 + HA LEU 119 OK 100 100 100 100 3.8-3.9 3798=88, 2.1/3790=83...(10) QD1 LEU 62 + HA LEU 119 OK 61 71 100 86 2.1-3.2 10954=34, 3795/3790=24...(12) QD2 LEU 53 + HA LEU 119 OK 53 63 100 85 2.3-3.2 11845=49, 3771/2.9=15...(15) QG2 VAL 63 - HA LEU 119 far 0 63 0 - 5.9-6.3 QD1 LEU 123 - HA LEU 119 far 0 95 0 - 6.7-7.6 QG2 VAL 126 - HA LEU 119 far 0 73 0 - 6.8-7.4 QD1 LEU 49 - HA LEU 119 far 0 68 0 - 8.1-8.4 QG1 VAL 57 - HA LEU 119 far 0 100 0 - 8.3-9.5 QG1 VAL 126 - HA LEU 119 far 0 87 0 - 8.4-8.9 QG1 VAL 112 - HA LEU 119 far 0 65 0 - 8.4-9.7 QG2 VAL 112 - HA LEU 119 far 0 92 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 3763 from aliabs.peaks (1.61, 4.03, 57.80 ppm; 4.69 A): 2 out of 3 assignments used, quality = 0.99: HG LEU 119 + HA LEU 119 OK 95 95 100 100 2.7-2.9 3.7=100 HG LEU 122 + HA LEU 119 OK 81 100 85 95 3.0-5.8 3.0/3764=69, 4.6/3762=44...(14) ! HB2 LEU 122 - HA LEU 119 far 5 100 5 - 5.2-5.9 Violated in 0 structures by 0.00 A. Peak 3764 from aliabs.peaks (1.79, 4.03, 57.80 ppm; 4.47 A increased from 4.20 A): 1 out of 3 assignments used, quality = 0.86: * HB3 LEU 122 + HA LEU 119 OK 86 100 100 86 3.6-5.0 3.5/3762=48, 3.0/3763=28...(12) HB3 LEU 103 - HA LEU 119 far 0 100 0 - 5.7-6.8 HG LEU 100 - HA LEU 119 far 0 89 0 - 6.1-7.7 Violated in 1 structures by 0.03 A. Peak 3766 from aliabs.peaks (4.03, 1.54, 40.68 ppm; 4.47 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 119 + HB2 LEU 119 OK 100 100 100 100 2.4-2.4 2.9=100 HA LEU 103 - HB2 LEU 119 far 0 97 0 - 7.7-8.9 HB3 SER 99 - HB2 LEU 119 far 0 63 0 - 7.9-9.3 HA SER 50 - HB2 LEU 119 far 0 60 0 - 7.9-8.6 HA LEU 122 - HB2 LEU 119 far 0 93 0 - 8.1-8.7 HB3 SER 124 - HB2 LEU 119 far 0 95 0 - 8.8-9.9 HA SER 60 - HB2 LEU 119 far 0 90 0 - 9.2-10.6 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): 1 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 far 0 99 0 - 4.9-6.1 Violated in 0 structures by 0.00 A. Peak 3769 from aliabs.peaks (1.62, 1.54, 40.68 ppm; 4.74 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 119 + HB2 LEU 119 OK 100 100 100 100 2.8-2.9 2.9=100 HG LEU 62 + HB2 LEU 119 OK 72 76 95 100 4.4-5.4 ~10954=46, 3.0/10951=45...(26) HG LEU 122 - HB2 LEU 119 far 4 89 5 - 4.8-8.0 HB2 LEU 123 - HB2 LEU 119 far 0 65 0 - 5.5-6.5 HB2 LEU 122 - HB2 LEU 119 far 0 95 0 - 7.0-7.8 Violated in 0 structures by 0.00 A. Peak 3770 from aliabs.peaks (0.79, 1.54, 40.68 ppm; 3.93 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 119 + HB2 LEU 119 OK 100 100 100 100 1.9-2.1 3.1=100 QD1 LEU 53 + HB2 LEU 119 OK 26 100 30 88 3.6-5.4 ~11845=37, ~11725=22...(18) QD1 LEU 103 - HB2 LEU 119 poor 19 99 25 75 4.0-5.2 3759/2.9=29...(8) QD2 LEU 122 - HB2 LEU 119 far 5 100 5 - 4.4-7.6 QD1 LEU 122 - HB2 LEU 119 far 0 89 0 - 4.6-8.1 QD2 LEU 49 - HB2 LEU 119 far 0 99 0 - 6.6-7.2 QD1 LEU 96 - HB2 LEU 119 far 0 90 0 - 8.5-9.7 QG1 VAL 63 - HB2 LEU 119 far 0 99 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 3771 from aliabs.peaks (0.94, 1.54, 40.68 ppm; 3.91 A): 3 out of 11 assignments used, quality = 1.00: * QD1 LEU 119 + HB2 LEU 119 OK 100 100 100 100 2.8-3.0 3.0=100 QD1 LEU 62 + HB2 LEU 119 OK 68 71 100 95 2.1-2.6 10954/2.9=29...(20) QD2 LEU 53 + HB2 LEU 119 OK 50 63 100 79 1.9-2.8 11845/2.9=32...(12) QD1 LEU 123 - HB2 LEU 119 far 0 95 0 - 6.5-7.5 QG2 VAL 63 - HB2 LEU 119 far 0 63 0 - 6.7-7.5 QG1 VAL 112 - HB2 LEU 119 far 0 65 0 - 7.1-8.3 QG1 VAL 57 - HB2 LEU 119 far 0 100 0 - 7.3-8.3 QG2 VAL 112 - HB2 LEU 119 far 0 92 0 - 7.9-8.5 QG2 VAL 126 - HB2 LEU 119 far 0 73 0 - 8.1-8.8 QD1 LEU 49 - HB2 LEU 119 far 0 68 0 - 8.8-9.3 QG1 VAL 126 - HB2 LEU 119 far 0 87 0 - 9.1-9.7 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 6 assignments used, quality = 1.00: * HA LEU 119 + HB3 LEU 119 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 SER 99 - HB3 LEU 119 far 0 63 0 - 7.6-9.0 HA LEU 103 - HB3 LEU 119 far 0 97 0 - 7.6-8.8 HB3 SER 124 - HB3 LEU 119 far 0 95 0 - 8.4-9.4 HA LEU 122 - HB3 LEU 119 far 0 93 0 - 8.5-8.9 HA SER 50 - HB3 LEU 119 far 0 60 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 3775 from aliabs.peaks (1.54, 1.87, 40.68 ppm; 3.76 A): 1 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 far 0 73 0 - 4.8-7.2 HG LEU 123 - HB3 LEU 119 far 0 81 0 - 7.5-8.4 HG LEU 103 - HB3 LEU 119 far 0 93 0 - 7.6-8.4 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): 1 out of 5 assignments used, quality = 1.00: * HG LEU 119 + HB3 LEU 119 OK 100 100 100 100 2.7-2.9 2.9=100 HG LEU 122 - HB3 LEU 119 far 0 89 0 - 5.5-8.7 HB2 LEU 123 - HB3 LEU 119 far 0 65 0 - 5.6-6.6 HG LEU 62 - HB3 LEU 119 far 0 76 0 - 6.1-7.0 HB2 LEU 122 - HB3 LEU 119 far 0 95 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 3778 from aliabs.peaks (0.79, 1.87, 40.68 ppm; 3.94 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 119 + HB3 LEU 119 OK 100 100 100 100 2.9-3.0 3.1=100 QD1 LEU 103 - HB3 LEU 119 far 5 99 5 - 4.4-5.3 QD1 LEU 53 - HB3 LEU 119 far 0 100 0 - 5.0-6.3 QD2 LEU 122 - HB3 LEU 119 far 0 100 0 - 5.1-7.9 QD1 LEU 122 - HB3 LEU 119 far 0 89 0 - 5.6-8.4 QD2 LEU 49 - HB3 LEU 119 far 0 99 0 - 7.8-8.2 QD1 LEU 96 - HB3 LEU 119 far 0 90 0 - 9.2-10.3 QG1 VAL 63 - HB3 LEU 119 far 0 99 0 - 9.6-10.6 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 9 assignments used, quality = 1.00: * QD1 LEU 119 + HB3 LEU 119 OK 100 100 100 100 1.9-2.1 3.0=100 QD1 LEU 62 + HB3 LEU 119 OK 68 71 100 96 3.4-3.9 10954/2.9=30, ~10992=28...(21) QD2 LEU 53 + HB3 LEU 119 OK 50 63 100 79 2.8-4.1 11845/2.9=33...(12) QG1 VAL 112 - HB3 LEU 119 far 0 65 0 - 6.7-7.9 QD1 LEU 123 - HB3 LEU 119 far 0 95 0 - 7.1-8.0 QG2 VAL 63 - HB3 LEU 119 far 0 63 0 - 7.6-8.3 QG2 VAL 112 - HB3 LEU 119 far 0 92 0 - 7.9-8.5 QG1 VAL 57 - HB3 LEU 119 far 0 100 0 - 8.6-9.5 QG2 VAL 126 - HB3 LEU 119 far 0 73 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 3782 from aliabs.peaks (4.03, 1.62, 27.00 ppm; 4.16 A): 4 out of 26 assignments used, quality = 1.00: * HA LEU 119 + HG LEU 119 OK 100 100 100 100 2.7-2.9 3.7=100 HA LEU 122 + HG LEU 122 OK 60 60 100 100 3.2-3.7 4.3=94, 3901/2.1=43...(16) HA LEU 119 + HG LEU 122 OK 54 70 85 91 3.0-5.8 3764/3.0=56, 3762/4.6=34...(12) HB3 SER 99 + HG LEU 122 OK 36 36 100 99 2.5-4.7 11702/2.1=49, ~11481=34...(24) HA LEU 96 - HG LEU 122 poor 15 36 40 - 4.3-5.4 HA LEU 103 - HG LEU 119 far 0 97 0 - 5.1-6.3 HB2 SER 74 - HG LEU 70 far 0 48 0 - 6.0-7.7 HA LEU 103 - HG LEU 122 far 0 63 0 - 6.2-7.9 HA GLN 68 - HG LEU 70 far 0 64 0 - 6.7-7.5 HB3 SER 99 - HG LEU 119 far 0 63 0 - 6.9-8.4 HB3 SER 124 - HG LEU 122 far 0 61 0 - 7.0-9.8 HA LEU 96 - HG LEU 70 far 0 52 0 - 7.1-7.5 HA ARG 135 - HG2 ARG 84 far 0 61 0 - 7.7-12.3 HA SER 60 - HG LEU 119 far 0 90 0 - 7.8-9.3 HA SER 50 - HG LEU 122 far 0 35 0 - 7.9-9.2 HA ARG 135 - HG3 ARG 84 far 0 51 0 - 8.1-11.0 HA LYS 95 - HG LEU 122 far 0 69 0 - 8.3-9.5 HD3 PRO 81 - HG2 ARG 84 far 0 58 0 - 8.7-12.4 HA LEU 122 - HG LEU 119 far 0 93 0 - 8.7-9.1 HA LYS 95 - HG LEU 70 far 0 92 0 - 8.7-9.5 HA LEU 122 - HG LEU 70 far 0 82 0 - 8.7-9.4 HA GLU 102 - HG LEU 122 far 0 45 0 - 8.8-10.5 HA SER 60 - HG LEU 122 far 0 57 0 - 8.9-10.9 HB2 SER 74 - HG3 ARG 23 far 0 57 0 - 9.1-23.7 HB3 SER 99 - HG LEU 70 far 0 52 0 - 9.1-10.4 HA GLU 102 - HG LEU 119 far 0 76 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 3783 from aliabs.peaks (1.54, 1.62, 27.00 ppm; 4.74 A): 3 out of 16 assignments used, quality = 1.00: * HB2 LEU 119 + HG LEU 119 OK 100 100 100 100 2.8-2.9 2.9=100 HB2 LEU 22 + HG LEU 22 OK 95 95 100 100 2.4-2.9 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 far 10 100 10 - 4.7-7.9 HG LEU 103 - HG LEU 119 poor 10 93 25 43 4.9-6.0 2.1/3786=18, ~3770=12...(5) HB2 LEU 119 - HG LEU 122 far 3 70 5 - 4.8-8.0 HG LEU 49 - HG LEU 122 far 0 38 0 - 5.5-7.5 HG LEU 103 - HG LEU 122 far 0 60 0 - 5.7-7.6 HG LEU 123 - HG LEU 122 far 0 49 0 - 6.2-9.5 HB2 LEU 53 - HG LEU 122 far 0 44 0 - 6.4-10.2 HG2 ARG 23 - HG LEU 22 far 0 78 0 - 6.4-9.5 HB2 LEU 53 - HG LEU 119 far 0 73 0 - 6.5-8.9 HG13 ILE 37 - HG3 ARG 23 far 0 98 0 - 8.8-23.1 HG LEU 49 - HG LEU 70 far 0 55 0 - 9.5-10.5 HG LEU 123 - HG LEU 119 far 0 81 0 - 9.7-10.5 HG2 ARG 23 - HG LEU 70 far 0 75 0 - 9.7-29.2 Violated in 0 structures by 0.00 A. Peak 3784 from aliabs.peaks (1.87, 1.62, 27.00 ppm; 5.06 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 119 + HG LEU 119 OK 100 100 100 100 2.7-2.9 2.9=100 HB2 ARG 135 - HG2 ARG 84 far 5 52 10 - 5.5-9.9 HB3 LEU 119 - HG LEU 122 far 3 70 5 - 5.5-8.7 HB3 LEU 123 - HG LEU 122 far 3 67 5 - 4.0-7.4 HB2 ARG 135 - HG3 ARG 84 far 0 43 0 - 5.7-8.6 HB3 LEU 123 - HG LEU 119 far 0 99 0 - 7.3-8.5 HB3 LEU 48 - HG LEU 122 far 0 49 0 - 9.8-12.1 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): 5 out of 33 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 103 + HG LEU 119 OK 65 99 100 66 2.0-3.1 11548/10258=24...(10) QD1 LEU 70 + HG LEU 70 OK 64 64 100 100 2.1-2.1 2.1=100 QD1 LEU 122 + HG LEU 122 OK 55 55 100 100 2.1-2.1 2.1=100 QD2 LEU 49 - HG LEU 122 far 10 66 15 - 2.9-4.5 QD1 LEU 96 - HG LEU 122 far 9 57 15 - 2.6-4.7 QD1 LEU 53 - HG LEU 122 far 0 69 0 - 4.2-5.8 QD2 LEU 122 - HG LEU 119 far 0 100 0 - 4.3-7.5 QD1 LEU 103 - HG LEU 122 far 0 66 0 - 4.3-6.1 QD1 LEU 96 - HG LEU 70 far 0 78 0 - 4.3-4.9 QG2 ILE 80 - HG2 ARG 84 far 0 36 0 - 5.0-7.2 QD1 ILE 32 - HG3 ARG 23 far 0 80 0 - 5.3-15.0 QD2 LEU 119 - HG LEU 122 far 0 70 0 - 5.4-7.1 QD1 LEU 122 - HG LEU 70 far 0 77 0 - 5.5-7.8 QD1 LEU 122 - HG LEU 119 far 0 89 0 - 5.6-8.1 QG1 VAL 63 - HG LEU 122 far 0 67 0 - 5.6-7.7 QD1 LEU 53 - HG LEU 119 far 0 100 0 - 5.7-7.3 QD2 LEU 122 - HG LEU 70 far 0 91 0 - 5.9-7.9 QG2 ILE 80 - HG3 ARG 84 far 0 30 0 - 6.1-7.5 QD1 ILE 32 - HG LEU 22 far 0 72 0 - 6.3-15.8 QD2 LEU 49 - HG LEU 70 far 0 89 0 - 6.6-7.4 QG1 VAL 63 - HG LEU 70 far 0 89 0 - 6.7-7.2 QD1 ILE 37 - HG3 ARG 23 far 0 80 0 - 6.9-19.5 QD1 LEU 70 - HG LEU 122 far 0 45 0 - 7.4-9.6 QD2 LEU 49 - HG LEU 119 far 0 99 0 - 7.6-8.0 QG1 VAL 63 - HG LEU 119 far 0 99 0 - 7.7-8.7 QD1 LEU 70 - HG3 ARG 23 far 0 75 0 - 8.3-24.0 QD1 LEU 96 - HG LEU 119 far 0 90 0 - 8.9-10.0 HG13 ILE 80 - HG2 ARG 84 far 0 41 0 - 9.0-11.9 QG2 ILE 80 - HG3 ARG 23 far 0 68 0 - 9.1-23.9 QD1 LEU 53 - HG LEU 70 far 0 91 0 - 9.8-11.6 QD1 ILE 37 - HG LEU 70 far 0 69 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 3787 from aliabs.peaks (0.94, 1.62, 27.00 ppm; 3.42 A): 2 out of 28 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 64 71 100 91 2.8-3.6 3795/2.1=28, ~10992=27...(18) QD2 LEU 53 - HG LEU 122 poor 9 36 25 - 3.4-6.6 QG2 VAL 126 - HG LEU 122 far 7 44 15 - 3.8-5.2 QD2 LEU 53 - HG LEU 119 far 0 63 0 - 4.2-5.0 QD1 LEU 62 - HG LEU 122 far 0 42 0 - 4.3-6.4 QG1 VAL 20 - HG3 ARG 23 far 0 57 0 - 4.4-7.5 QG2 VAL 63 - HG LEU 122 far 0 36 0 - 4.9-6.8 QD1 LEU 49 - HG LEU 122 far 0 40 0 - 5.2-6.9 QD1 LEU 123 - HG LEU 122 far 0 61 0 - 5.4-7.9 QG2 VAL 63 - HG LEU 119 far 0 63 0 - 5.7-6.3 QG1 VAL 126 - HG LEU 122 far 0 54 0 - 6.1-7.4 QD1 LEU 119 - HG LEU 122 far 0 70 0 - 6.2-8.5 QG1 VAL 112 - HG LEU 119 far 0 65 0 - 6.3-7.7 QG2 VAL 126 - HG LEU 70 far 0 62 0 - 6.4-7.2 QG2 VAL 112 - HG LEU 119 far 0 92 0 - 6.7-7.6 QD1 LEU 49 - HG LEU 70 far 0 57 0 - 6.9-8.1 QG1 VAL 20 - HG LEU 22 far 0 50 0 - 7.8-9.2 QG1 VAL 126 - HG LEU 70 far 0 75 0 - 8.3-9.0 QG1 VAL 57 - HG LEU 119 far 0 100 0 - 8.4-9.5 QG2 VAL 63 - HG LEU 70 far 0 52 0 - 8.6-9.1 QD1 LEU 123 - HG LEU 119 far 0 95 0 - 8.6-9.6 QG2 VAL 126 - HG LEU 119 far 0 73 0 - 9.1-9.6 QG2 ILE 37 - HG3 ARG 23 far 0 100 0 - 9.4-21.5 QG1 VAL 105 - HG LEU 122 far 0 58 0 - 9.5-11.0 QG1 VAL 105 - HG LEU 70 far 0 80 0 - 9.5-10.5 QD1 LEU 48 - HG LEU 122 far 0 35 0 - 9.6-11.7 QG1 VAL 105 - HG LEU 119 far 0 92 0 - 9.9-10.9 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 9 assignments used, quality = 0.96: * HA LEU 119 + QD2 LEU 119 OK 96 100 100 96 2.9-3.3 3759=55, 3798/2.1=45...(13) HA LEU 103 - QD2 LEU 119 far 0 97 0 - 5.4-6.7 HA SER 60 - QD2 LEU 119 far 0 90 0 - 5.9-7.1 HB3 SER 99 - QD2 LEU 119 far 0 63 0 - 7.2-8.6 HA LEU 122 - QD2 LEU 119 far 0 93 0 - 8.1-8.8 HA SER 50 - QD2 LEU 119 far 0 60 0 - 8.2-8.6 HA GLU 102 - QD2 LEU 119 far 0 76 0 - 9.3-10.7 HB3 SER 124 - QD2 LEU 119 far 0 95 0 - 9.4-10.3 HA LEU 96 - QD2 LEU 119 far 0 63 0 - 9.8-10.4 Violated in 3 structures by 0.02 A. Peak 3791 from aliabs.peaks (1.54, 0.79, 23.00 ppm; 3.35 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 119 + QD2 LEU 119 OK 100 100 100 100 1.9-2.1 3.1=100 HG LEU 103 - QD2 LEU 119 far 0 93 0 - 4.3-5.4 HB2 LEU 53 - QD2 LEU 119 far 0 73 0 - 4.8-6.5 HG LEU 49 - QD2 LEU 119 far 0 65 0 - 7.7-8.5 HG LEU 123 - QD2 LEU 119 far 0 81 0 - 8.2-8.9 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 2 assignments used, quality = 1.00: * HB3 LEU 119 + QD2 LEU 119 OK 100 100 100 100 2.9-3.0 3.1=100 HB3 LEU 123 - QD2 LEU 119 far 0 99 0 - 6.0-6.9 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 5 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 56 76 85 86 3.0-3.7 10992=28, 2.1/3795=23...(23) HG LEU 122 - QD2 LEU 119 far 0 89 0 - 5.4-7.1 HB2 LEU 123 - QD2 LEU 119 far 0 65 0 - 6.5-7.5 HB2 LEU 122 - QD2 LEU 119 far 0 95 0 - 6.7-7.9 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 13 assignments used, quality = 1.00: * QD1 LEU 119 + QD2 LEU 119 OK 100 100 100 100 1.9-2.0 2.1=100 QD1 LEU 62 + QD2 LEU 119 OK 46 71 100 66 1.6-1.7 2.1/10992=23...(14) QD2 LEU 53 - QD2 LEU 119 poor 19 63 30 - 2.7-3.5 QG1 VAL 112 - QD2 LEU 119 far 0 65 0 - 4.3-5.8 QG2 VAL 63 - QD2 LEU 119 far 0 63 0 - 4.4-5.3 QG2 VAL 112 - QD2 LEU 119 far 0 92 0 - 4.8-5.5 QG1 VAL 57 - QD2 LEU 119 far 0 100 0 - 5.5-6.3 QD1 LEU 123 - QD2 LEU 119 far 0 95 0 - 7.0-7.8 QG2 VAL 126 - QD2 LEU 119 far 0 73 0 - 7.7-8.2 QD1 LEU 49 - QD2 LEU 119 far 0 68 0 - 8.0-8.5 QG1 VAL 126 - QD2 LEU 119 far 0 87 0 - 8.6-9.1 QG1 VAL 105 - QD2 LEU 119 far 0 92 0 - 9.0-10.1 QD1 LEU 48 - QD2 LEU 119 far 0 60 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 3798 from aliabs.peaks (4.03, 0.94, 25.07 ppm; 4.12 A increased from 3.66 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 119 + QD1 LEU 119 OK 100 100 100 100 3.8-3.9 4.1=100 HA LEU 103 - QD1 LEU 119 far 0 97 0 - 5.6-6.8 HB3 SER 99 - QD1 LEU 119 far 0 63 0 - 7.2-8.4 HA SER 60 - QD1 LEU 119 far 0 90 0 - 7.9-9.1 HA LEU 122 - QD1 LEU 119 far 0 93 0 - 8.8-9.2 HB3 SER 124 - QD1 LEU 119 far 0 95 0 - 9.0-9.8 HA GLU 102 - QD1 LEU 119 far 0 76 0 - 9.1-10.5 HA SER 50 - QD1 LEU 119 far 0 60 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 3799 from aliabs.peaks (1.54, 0.94, 25.07 ppm; 3.25 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 119 + QD1 LEU 119 OK 100 100 100 100 2.8-3.0 3.0=100 HG LEU 103 - QD1 LEU 119 far 0 93 0 - 5.7-6.8 HB2 LEU 53 - QD1 LEU 119 far 0 73 0 - 5.9-7.7 HG LEU 123 - QD1 LEU 119 far 0 81 0 - 8.3-9.0 HG LEU 49 - QD1 LEU 119 far 0 65 0 - 10.0-10.4 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 1.9-2.1 3.0=100 HB3 LEU 123 - QD1 LEU 119 far 0 99 0 - 6.7-7.9 Violated in 0 structures by 0.00 A. Peak 3801 from aliabs.peaks (1.62, 0.94, 25.07 ppm; 2.96 A): 1 out of 5 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 far 0 76 0 - 5.5-6.3 HG LEU 122 - QD1 LEU 119 far 0 89 0 - 6.2-8.5 HB2 LEU 123 - QD1 LEU 119 far 0 65 0 - 6.8-7.6 HB2 LEU 122 - QD1 LEU 119 far 0 95 0 - 8.2-8.7 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 8 assignments used, quality = 1.00: * QD2 LEU 119 + QD1 LEU 119 OK 100 100 100 100 1.9-2.0 2.1=100 QD1 LEU 103 - QD1 LEU 119 far 5 99 5 - 3.1-4.1 QD2 LEU 122 - QD1 LEU 119 far 0 100 0 - 5.2-7.8 QD1 LEU 53 - QD1 LEU 119 far 0 100 0 - 5.4-6.8 QD1 LEU 122 - QD1 LEU 119 far 0 89 0 - 6.2-8.3 QD2 LEU 49 - QD1 LEU 119 far 0 99 0 - 7.8-8.1 QG1 VAL 63 - QD1 LEU 119 far 0 99 0 - 8.0-8.8 QD1 LEU 96 - QD1 LEU 119 far 0 90 0 - 8.9-9.9 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 2.2-2.7 3.0=100 HB3 ASN 120 + HA ASN 120 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 ASN 121 - HA ASN 120 far 0 100 0 - 5.5-6.4 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 2.8-3.0 3.0=100 HB2 ASN 120 + HA ASN 120 OK 100 100 100 100 2.2-2.7 3.0=100 HB2 ASN 121 - HA ASN 120 far 0 100 0 - 5.5-6.4 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 2.1-2.6 3918=84, 1.8/3927=67...(15) HG LEU 119 - HA ASN 120 far 0 65 0 - 6.4-6.5 HG LEU 62 - HA ASN 120 far 0 100 0 - 8.2-9.3 Violated in 0 structures by 0.00 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 3.0-4.2 3927=76, 1.8/3813=74...(16) HB3 LEU 119 + HA ASN 120 OK 97 99 100 98 4.1-4.3 7665/2.9=62...(15) 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 8 assignments used, quality = 1.00: * HA ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.2-2.7 3.0=100 HA ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.8-3.0 3.0=100 HA HIS 5 - HB2 ASN 120 far 0 96 0 - 7.0-60.6 HA HIS 5 - HB3 ASN 120 far 0 95 0 - 7.0-60.1 HA THR 115 - HB3 ASN 120 far 0 73 0 - 8.0-9.4 HA THR 54 - HB2 ASN 120 far 0 100 0 - 8.4-10.3 HA THR 54 - HB3 ASN 120 far 0 100 0 - 8.6-10.5 HA THR 115 - HB2 ASN 120 far 0 73 0 - 9.5-11.0 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 2.2-3.5 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 8 assignments used, quality = 1.00: * HA ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.8-3.0 3.0=100 HA ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.2-2.7 3.0=100 HA HIS 5 - HB2 ASN 120 far 0 95 0 - 7.0-60.6 HA HIS 5 - HB3 ASN 120 far 0 96 0 - 7.0-60.1 HA THR 115 - HB3 ASN 120 far 0 73 0 - 8.0-9.4 HA THR 54 - HB2 ASN 120 far 0 100 0 - 8.4-10.3 HA THR 54 - HB3 ASN 120 far 0 100 0 - 8.6-10.5 HA THR 115 - HB2 ASN 120 far 0 73 0 - 9.5-11.0 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 2.2-3.5 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 2.8-2.8 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): 2 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + HA ASN 121 OK 100 100 100 100 2.7-2.9 3.0=100 HB2 ASN 120 + HA ASN 121 OK 89 100 95 94 4.1-5.4 11626=35, 10355/3974=32...(13) HB3 ASN 120 - HA ASN 121 far 0 100 0 - 4.6-5.2 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 2.8-3.0 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 3.6-4.1 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 4.0-4.3 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): 1 out of 2 assignments used, quality = 1.00: * H LEU 122 + HA ASN 121 OK 100 100 100 100 3.6-3.6 3.6=100 H GLN 127 - HA ASN 121 far 0 97 0 - 7.6-8.5 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 3.8-4.2 7758=100, 7769/3968=98...(9) 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 5 assignments used, quality = 1.00: * HB2 SER 124 + HA ASN 121 OK 100 100 100 100 3.7-4.6 3968=100, 1.8/3974=96...(4) HB3 SER 124 + HA ASN 121 OK 76 76 100 100 3.9-4.4 1.8/3968=96, 4.0/7758=67...(6) HB3 SER 99 + HA ASN 121 OK 43 99 60 73 4.7-5.8 11475/10324=39...(7) HA LEU 100 - HA ASN 121 far 0 71 0 - 8.7-9.6 HA SER 50 - HA ASN 121 far 0 99 0 - 9.2-10.6 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 3.9-4.4 3974=100, 1.8/3968=96...(6) HB2 SER 124 + HA ASN 121 OK 76 76 100 100 3.7-4.6 1.8/3974=96, 4.0/7758=67...(4) 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 42 92 60 76 4.7-5.8 11475/10324=35...(7) HA LEU 119 - HA ASN 121 far 0 95 0 - 6.6-6.9 HA LYS 95 - HA ASN 121 far 0 96 0 - 7.7-8.6 HA SER 50 - HA ASN 121 far 0 90 0 - 9.2-10.6 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 2 assignments used, quality = 1.00: * HA VAL 118 + HB2 ASN 121 OK 100 100 100 100 1.9-3.5 3734=100, 3735/1.8=79...(33) HB3 SER 9 - HB2 ASN 121 far 0 99 0 - 9.4-46.3 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 2.7-2.9 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 1 assignment used, quality = 1.00: * HB3 ASN 121 + HB2 ASN 121 OK 100 100 100 100 1.8-1.8 1.8=100 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 2.1-3.2 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 1.8-3.2 3735=100, 3734/1.8=79...(29) HB3 SER 9 - HB3 ASN 121 far 0 99 0 - 9.5-47.5 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 2.1-3.2 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 2.8-3.0 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 HB3 ASN 120 - HB3 ASN 121 far 0 100 0 - 4.8-6.6 HB2 ASN 120 - HB3 ASN 121 far 0 100 0 - 5.2-7.3 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 2.1-3.3 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 3.4-4.0 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 2.2-3.1 4.3=100 H GLN 127 - HB3 ASN 121 far 0 97 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 3855 from aliabs.peaks (8.18, 4.04, 58.49 ppm; 5.29 A): 3 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 GLN 127 + HA LEU 122 OK 84 97 95 92 5.6-6.3 4026/10397=40...(10) H LEU 122 + HA LEU 96 OK 72 73 100 98 4.5-5.1 3.5/3868=35, 5.1/3901=28...(30) H GLN 127 - HA LEU 96 far 0 67 0 - 7.1-7.8 H LEU 122 - HA GLU 102 far 0 91 0 - 9.9-11.1 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): 4 out of 9 assignments used, quality = 1.00: * HB2 LEU 122 + HA LEU 122 OK 100 100 100 100 2.3-2.6 3.0=100 HG LEU 122 + HA LEU 122 OK 100 100 100 100 3.2-3.7 4.3=100 HB2 LEU 122 + HA LEU 96 OK 73 73 100 100 3.2-5.0 3868=48, 3.1/3901=41...(45) HG LEU 122 + HA LEU 96 OK 72 73 100 99 4.3-5.4 2.1/3901=42, 3.0/3868=41...(25) HG LEU 70 - HA LEU 96 far 0 73 0 - 7.1-7.5 HG LEU 119 - HA LEU 122 far 0 95 0 - 8.7-9.1 HG LEU 70 - HA LEU 122 far 0 100 0 - 8.7-9.4 HG LEU 122 - HA GLU 102 far 0 90 0 - 8.8-10.5 HG LEU 119 - HA GLU 102 far 0 82 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 3858 from aliabs.peaks (1.79, 4.04, 58.49 ppm; 4.41 A): 2 out of 14 assignments used, quality = 1.00: * HB3 LEU 122 + HA LEU 122 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 100 + HA LEU 96 OK 42 59 80 89 4.3-5.4 7399/7388=40...(15) HG LEU 100 - HA LEU 122 poor 19 89 25 88 4.6-5.7 3895/3.8=27, 3887/4.3=26...(15) HB3 LEU 122 - HA LEU 96 far 4 73 5 - 3.3-5.7 HB3 LEU 103 - HA GLU 102 far 0 91 0 - 5.6-5.8 HB3 LEU 98 - HA LEU 96 far 0 71 0 - 6.4-7.5 HB3 LEU 98 - HA GLU 102 far 0 89 0 - 7.0-8.4 HB3 LEU 98 - HA LEU 122 far 0 99 0 - 7.4-9.8 HB2 LEU 48 - HA GLU 44 far 0 54 0 - 7.5-8.0 HB3 LEU 103 - HA LEU 122 far 0 100 0 - 7.8-8.9 HB3 LEU 103 - HA LEU 96 far 0 73 0 - 8.2-9.1 HB2 LYS 39 - HA GLU 44 far 0 30 0 - 8.3-10.7 HG LEU 100 - HA GLU 102 far 0 76 0 - 8.6-8.8 HB3 LEU 122 - HA GLU 102 far 0 91 0 - 9.2-12.1 Violated in 0 structures by 0.00 A. Peak 3859 from aliabs.peaks (1.60, 4.04, 58.49 ppm; 5.63 A): 5 out of 12 assignments used, quality = 1.00: * HG LEU 122 + HA LEU 122 OK 100 100 100 100 3.2-3.7 4.3=100 HB2 LEU 122 + HA LEU 122 OK 100 100 100 100 2.3-2.6 3.0=100 HG LEU 122 + HA LEU 96 OK 73 73 100 99 4.3-5.4 2.1/3901=42, 3.0/3868=41...(25) HB2 LEU 122 + HA LEU 96 OK 72 73 100 100 3.2-5.0 3868=48, 3.1/3901=41...(45) HB2 LEU 103 + HA GLU 102 OK 53 54 100 97 5.7-5.9 10066/2.9=67...(9) HB2 LEU 103 - HA LEU 122 far 0 65 0 - 7.1-8.1 HG LEU 70 - HA LEU 96 far 0 71 0 - 7.1-7.5 HB2 LEU 103 - HA LEU 96 far 0 41 0 - 7.8-8.6 HG LEU 119 - HA LEU 122 far 0 89 0 - 8.7-9.1 HG LEU 70 - HA LEU 122 far 0 99 0 - 8.7-9.4 HG LEU 122 - HA GLU 102 far 0 91 0 - 8.8-10.5 HG LEU 119 - HA GLU 102 far 0 76 0 - 9.4-10.8 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 25 assignments used, quality = 1.00: * QD1 LEU 122 + HA LEU 122 OK 100 100 100 100 1.8-3.8 3.8=100 QD2 LEU 122 + HA LEU 122 OK 83 83 100 100 1.8-4.0 3.9=100 QD1 LEU 122 + HA LEU 96 OK 72 73 100 99 1.8-4.8 2.1/3901=39, 3.1/3868=28...(28) QD2 LEU 49 + HA LEU 122 OK 69 98 95 74 3.8-5.3 11681/10397=31...(10) QD2 LEU 122 + HA LEU 96 OK 52 54 100 97 1.8-4.8 3901=31, 3.1/3868=28...(28) QD1 LEU 53 + HA LEU 122 OK 48 95 65 77 4.3-7.1 3907/3.6=27...(12) QD2 LEU 49 - HA LEU 96 far 0 69 0 - 5.3-5.9 QD1 LEU 103 - HA GLU 102 far 0 59 0 - 6.1-6.4 QD1 LEU 70 - HA LEU 96 far 0 71 0 - 6.2-6.5 QD1 LEU 53 - HA LEU 96 far 0 65 0 - 6.4-8.4 QD2 LEU 122 - HA GLU 102 far 0 70 0 - 6.7-7.9 QG1 VAL 63 - HA GLU 102 far 0 61 0 - 6.8-7.7 QD1 LEU 103 - HA LEU 122 far 0 71 0 - 7.1-8.0 QG2 ILE 129 - HA LEU 96 far 0 57 0 - 7.3-7.8 QD1 LEU 122 - HA GLU 102 far 0 91 0 - 7.3-10.0 QD1 LEU 70 - HA LEU 122 far 0 99 0 - 7.8-8.5 QG2 ILE 129 - HA LEU 122 far 0 87 0 - 7.8-8.4 QD1 LEU 103 - HA LEU 96 far 0 45 0 - 8.0-9.0 QD2 LEU 119 - HA LEU 122 far 0 89 0 - 8.1-8.8 QG1 VAL 63 - HA LEU 122 far 0 73 0 - 8.4-9.2 QG1 VAL 63 - HA LEU 96 far 0 46 0 - 8.6-9.3 QG2 ILE 129 - HA GLU 44 far 0 46 0 - 9.2-10.3 QD2 LEU 119 - HA GLU 102 far 0 76 0 - 9.3-10.7 QD2 LEU 49 - HA GLU 44 far 0 56 0 - 9.4-10.0 QD2 LEU 119 - HA LEU 96 far 0 59 0 - 9.8-10.4 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 25 assignments used, quality = 1.00: * QD2 LEU 122 + HA LEU 122 OK 100 100 100 100 1.8-4.0 3.9=100 QD1 LEU 96 + HA LEU 122 OK 91 95 100 96 2.8-3.5 3100=35, 9987/3994=27...(22) QD1 LEU 122 + HA LEU 122 OK 83 83 100 100 1.8-3.8 3.8=100 QD2 LEU 122 + HA LEU 96 OK 72 73 100 98 1.8-4.8 3901=42, 10337/3.0=36...(28) QD1 LEU 96 + HA LEU 96 OK 65 65 100 100 2.8-3.5 4.0=100 QD2 LEU 49 + HA LEU 122 OK 61 97 95 66 3.8-5.3 11681/10397=22...(10) QD1 LEU 122 + HA LEU 96 OK 52 54 100 97 1.8-4.8 2.1/3901=39, 3.1/3868=28...(28) QD1 LEU 53 + HA LEU 122 OK 49 99 60 82 4.3-7.1 3907/3.6=35, 3900/2.9=23...(12) QD2 LEU 49 - HA LEU 96 far 0 67 0 - 5.3-5.9 QD1 LEU 103 - HA GLU 102 far 0 90 0 - 6.1-6.4 QD1 LEU 70 - HA LEU 96 far 0 43 0 - 6.2-6.5 QD1 LEU 53 - HA LEU 96 far 0 71 0 - 6.4-8.4 QD2 LEU 122 - HA GLU 102 far 0 91 0 - 6.7-7.9 QG1 VAL 63 - HA GLU 102 far 0 90 0 - 6.8-7.7 QD1 LEU 103 - HA LEU 122 far 0 100 0 - 7.1-8.0 QD1 LEU 122 - HA GLU 102 far 0 70 0 - 7.3-10.0 QD1 LEU 70 - HA LEU 122 far 0 68 0 - 7.8-8.5 QD1 LEU 103 - HA LEU 96 far 0 72 0 - 8.0-9.0 QD2 LEU 119 - HA LEU 122 far 0 100 0 - 8.1-8.8 QG1 VAL 63 - HA LEU 122 far 0 100 0 - 8.4-9.2 QG1 VAL 63 - HA LEU 96 far 0 73 0 - 8.6-9.3 QD2 LEU 119 - HA GLU 102 far 0 91 0 - 9.3-10.7 QD2 LEU 49 - HA GLU 44 far 0 54 0 - 9.4-10.0 QD1 LEU 96 - HA GLU 102 far 0 82 0 - 9.7-10.4 QD2 LEU 119 - HA LEU 96 far 0 73 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 3862 from aliabs.peaks (8.27, 4.04, 58.49 ppm; 5.04 A): 8 out of 11 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 96 99 100 97 4.7-5.5 3.8/3067=27, 4.6/3100=27...(25) H VAL 126 + HA LEU 122 OK 95 96 100 100 3.1-3.8 10405/3.0=66...(22) H LEU 96 + HA LEU 96 OK 70 70 100 100 2.8-2.9 2.9=100 H VAL 126 + HA LEU 96 OK 65 66 100 99 4.4-5.0 4021/10397=64...(19) H SER 99 + HA LEU 96 OK 46 46 100 98 3.6-4.0 3.4/7388=59, 3.7/3208=34...(19) H LEU 43 + HA GLU 44 OK 41 43 100 96 5.5-5.5 6535/3.6=55...(8) H SER 99 + HA LEU 122 OK 20 73 35 79 4.6-5.9 3.7/3208=37, 3.7/3214=31...(9) H LEU 123 - HA LEU 96 far 4 73 5 - 5.4-6.5 H SER 99 - HA GLU 102 far 0 61 0 - 7.3-7.8 H GLU 40 - HA GLU 44 far 0 43 0 - 7.7-8.3 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 6 assignments used, quality = 1.00: * H CYS 125 + HA LEU 122 OK 100 100 100 100 3.3-3.7 10366/3.9=77...(19) H CYS 125 + HA LEU 96 OK 71 73 100 97 4.4-5.4 11603/10397=58...(11) H LEU 48 + HA GLU 44 OK 57 57 100 100 4.6-4.9 6575=98, 6582/1477=82...(6) H SER 130 - HA GLU 44 far 0 58 0 - 8.9-10.1 H SER 130 - HA LEU 122 far 0 99 0 - 9.2-10.4 H SER 130 - HA LEU 96 far 0 71 0 - 9.8-10.6 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 4 assignments used, quality = 1.00: * HB2 CYS 125 + HA LEU 122 OK 100 100 100 100 2.2-3.6 3988=51, 1.8/3994=50...(21) HB2 CYS 125 + HA LEU 96 OK 73 73 100 100 2.4-3.4 11655/3.0=70...(25) HB2 ASP 47 + HA GLU 44 OK 51 51 100 100 3.3-4.2 1.8/1477=97, 1471=90...(6) HB2 CYS 73 - HA LEU 96 far 0 70 0 - 8.5-9.2 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 2.2-3.8 9498/3.8=52, 3994=51...(20) HB3 CYS 125 + HA LEU 96 OK 73 73 100 100 2.6-3.5 11659/3.0=77...(24) HB3 HIS 8 - HA GLU 102 far 0 84 0 - 8.2-46.1 Violated in 0 structures by 0.00 A. Peak 3866 from aliabs.peaks (4.03, 1.61, 41.93 ppm; 4.25 A): 2 out of 9 assignments used, quality = 0.97: HA LEU 122 + HB2 LEU 122 OK 93 93 100 100 2.3-2.6 3.0=100 HA LEU 96 + HB2 LEU 122 OK 54 63 90 96 3.2-5.0 3901/3.1=26...(44) HB3 SER 99 - HB2 LEU 122 far 0 63 0 - 5.1-6.4 ! HA LEU 119 - HB2 LEU 122 far 0 100 0 - 5.2-5.9 HA SER 50 - HB2 LEU 122 far 0 60 0 - 6.6-8.6 HB3 SER 124 - HB2 LEU 122 far 0 95 0 - 7.6-8.4 HA LYS 95 - HB2 LEU 122 far 0 100 0 - 7.8-9.8 HA LEU 103 - HB2 LEU 122 far 0 97 0 - 8.9-10.1 HA ALA 92 - HB2 LEU 122 far 0 60 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 3868 from aliabs.peaks (4.04, 1.61, 41.93 ppm; 4.72 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 122 + HB2 LEU 122 OK 100 100 100 100 2.3-2.6 3.0=100 HA LEU 96 + HB2 LEU 122 OK 92 93 100 99 3.2-5.0 3901/3.1=35...(45) HA LEU 119 - HB2 LEU 122 far 5 93 5 - 5.2-5.9 HB THR 65 - HB2 LEU 122 far 0 71 0 - 5.7-7.8 HB3 SER 124 - HB2 LEU 122 far 0 65 0 - 7.6-8.4 HA LYS 95 - HB2 LEU 122 far 0 92 0 - 7.8-9.8 HA LEU 103 - HB2 LEU 122 far 0 71 0 - 8.9-10.1 HA ALA 92 - HB2 LEU 122 far 0 92 0 - 9.2-10.8 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): 1 out of 9 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 far 13 89 15 - 3.2-4.8 HB3 LYS 19 - HB3 LEU 22 far 0 79 0 - 5.5-8.1 HB3 LYS 31 - HB3 LEU 22 far 0 68 0 - 5.5-21.9 HB3 ARG 23 - HB3 LEU 22 far 0 54 0 - 6.2-7.6 HB3 LYS 24 - HB3 LEU 22 far 0 64 0 - 6.4-9.5 HB3 LEU 103 - HB2 LEU 122 far 0 100 0 - 6.9-8.2 HB3 LEU 98 - HB2 LEU 122 far 0 99 0 - 8.4-11.6 HB2 LEU 48 - HB2 LEU 122 far 0 97 0 - 8.8-10.5 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): 4 out of 10 assignments used, quality = 1.00: * QD1 LEU 122 + HB2 LEU 122 OK 100 100 100 100 1.9-2.8 3.1=100 QD2 LEU 122 + HB2 LEU 122 OK 83 83 100 100 2.4-3.2 3.1=100 QD1 LEU 53 + HB2 LEU 122 OK 55 95 95 61 2.9-5.9 3907/4.3=19, ~11749=13...(9) QD2 LEU 49 + HB2 LEU 122 OK 50 98 100 51 2.0-3.6 11681/11677=20...(9) QD1 LEU 103 - HB2 LEU 122 far 0 71 0 - 6.4-7.2 QD2 LEU 119 - HB2 LEU 122 far 0 89 0 - 6.7-7.9 QG1 VAL 63 - HB2 LEU 122 far 0 73 0 - 7.1-7.8 QD1 LEU 70 - HB2 LEU 122 far 0 99 0 - 7.3-8.7 QG2 ILE 129 - HB2 LEU 122 far 0 87 0 - 8.0-8.8 QG2 ILE 80 - HB3 LEU 22 far 0 90 0 - 9.4-24.3 Violated in 0 structures by 0.00 A. Peak 3873 from aliabs.peaks (0.79, 1.61, 41.93 ppm; 4.23 A): 5 out of 11 assignments used, quality = 1.00: * QD2 LEU 122 + HB2 LEU 122 OK 100 100 100 100 2.4-3.2 3.1=100 QD1 LEU 96 + HB2 LEU 122 OK 93 95 100 98 2.1-3.5 3100/3.0=30, 4.0/3868=21...(42) QD1 LEU 122 + HB2 LEU 122 OK 83 83 100 100 1.9-2.8 3.1=100 QD1 LEU 53 + HB2 LEU 122 OK 66 99 95 70 2.9-5.9 3907/4.3=27, 3900/3.5=18...(8) QD2 LEU 49 + HB2 LEU 122 OK 46 97 100 47 2.0-3.6 11681/11677=15...(10) QD1 LEU 103 - HB2 LEU 122 far 0 100 0 - 6.4-7.2 QD2 LEU 119 - HB2 LEU 122 far 0 100 0 - 6.7-7.9 QG1 VAL 63 - HB2 LEU 122 far 0 100 0 - 7.1-7.8 QD1 LEU 70 - HB2 LEU 122 far 0 68 0 - 7.3-8.7 QD1 ILE 32 - HB3 LEU 22 far 0 77 0 - 7.4-15.5 QG2 ILE 80 - HB3 LEU 22 far 0 51 0 - 9.4-24.3 Violated in 0 structures by 0.00 A. Peak 3875 from aliabs.peaks (4.03, 1.79, 41.93 ppm; 4.18 A): 5 out of 28 assignments used, quality = 1.00: HA LYS 95 + HB3 LEU 98 OK 96 96 100 100 4.1-4.6 3158/1.8=85, 2963=80...(23) HA LEU 122 + HB3 LEU 122 OK 93 93 100 100 2.4-3.0 3.0=100 * HA LEU 119 + HB3 LEU 122 OK 91 100 95 96 3.6-5.0 3764=82, 3762/3.5=42...(11) HA LEU 103 + HB3 LEU 103 OK 88 88 100 100 3.0-3.0 3.0=100 HB3 SER 99 + HB3 LEU 122 OK 25 63 40 98 3.5-6.2 11702/3.1=40, ~11481=26...(21) HA LEU 96 - HB3 LEU 122 far 3 63 5 - 3.3-5.7 HB3 SER 99 - HB3 LEU 103 far 0 55 0 - 4.8-6.5 HB3 SER 99 - HB3 LEU 98 far 0 56 0 - 5.1-7.2 HA GLU 102 - HB3 LEU 103 far 0 67 0 - 5.6-5.8 HA SER 60 - HB3 LEU 103 far 0 81 0 - 5.6-7.0 HA LEU 119 - HB3 LEU 103 far 0 94 0 - 5.7-6.8 HA SER 50 - HB3 LEU 122 far 0 60 0 - 6.1-9.8 HA LEU 96 - HB3 LEU 98 far 0 56 0 - 6.4-7.5 HA GLU 102 - HB3 LEU 98 far 0 69 0 - 7.0-8.4 HB3 SER 124 - HB3 LEU 122 far 0 95 0 - 7.0-8.0 HA LYS 95 - HB3 LEU 122 far 0 100 0 - 7.3-10.2 HA LEU 122 - HB3 LEU 98 far 0 86 0 - 7.4-9.8 HA SER 50 - HB2 LEU 48 far 0 33 0 - 7.5-7.9 HA GLU 44 - HB2 LEU 48 far 0 54 0 - 7.5-8.0 HA LEU 122 - HB3 LEU 103 far 0 84 0 - 7.8-8.9 HA LEU 103 - HB3 LEU 122 far 0 97 0 - 7.8-9.2 HA LEU 96 - HB3 LEU 103 far 0 55 0 - 8.2-9.1 HA LEU 103 - HB3 LEU 98 far 0 90 0 - 8.9-11.4 HA GLU 102 - HB3 LEU 122 far 0 76 0 - 9.2-12.1 HA GLN 68 - HB2 LEU 48 far 0 43 0 - 9.3-10.3 HA ALA 92 - HB3 LEU 122 far 0 60 0 - 9.6-11.7 HA ALA 92 - HB3 LEU 98 far 0 54 0 - 9.7-10.2 HA SER 60 - HB3 LEU 122 far 0 90 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 3876 from aliabs.peaks (8.18, 1.79, 41.93 ppm; 5.91 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.2-2.8 3.5=100 H GLN 127 - HB3 LEU 122 poor 19 97 20 - 6.3-7.9 H LEU 122 - HB3 LEU 103 far 0 94 0 - 6.7-7.7 H LEU 122 - HB3 LEU 98 far 0 96 0 - 7.8-10.4 H GLN 127 - HB2 LEU 48 far 0 60 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 3877 from aliabs.peaks (4.04, 1.79, 41.93 ppm; 4.32 A): 5 out of 25 assignments used, quality = 1.00: * HA LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 95 + HB3 LEU 98 OK 85 85 100 100 4.1-4.6 3158/1.8=78, 2963=77...(23) HA LEU 119 + HB3 LEU 122 OK 85 93 95 95 3.6-5.0 3764=81, 3762/3.5=40...(11) HA LEU 103 + HB3 LEU 103 OK 62 62 100 100 3.0-3.0 3.0=100 HB THR 65 + HB2 LEU 48 OK 39 39 100 100 4.2-4.9 2.1/10991=63, ~9441=41...(31) HA LEU 96 - HB3 LEU 122 far 5 93 5 - 3.3-5.7 HA GLU 102 - HB3 LEU 103 far 0 90 0 - 5.6-5.8 HA SER 60 - HB3 LEU 103 far 0 50 0 - 5.6-7.0 HA LEU 119 - HB3 LEU 103 far 0 84 0 - 5.7-6.8 HA LEU 96 - HB3 LEU 98 far 0 86 0 - 6.4-7.5 HB THR 65 - HB3 LEU 122 far 0 71 0 - 6.6-8.9 HA GLU 102 - HB3 LEU 98 far 0 92 0 - 7.0-8.4 HB3 SER 124 - HB3 LEU 122 far 0 65 0 - 7.0-8.0 HA LYS 95 - HB3 LEU 122 far 0 92 0 - 7.3-10.2 HA LEU 122 - HB3 LEU 98 far 0 96 0 - 7.4-9.8 HA GLU 44 - HB2 LEU 48 far 0 66 0 - 7.5-8.0 HA LEU 122 - HB3 LEU 103 far 0 94 0 - 7.8-8.9 HA LEU 103 - HB3 LEU 122 far 0 71 0 - 7.8-9.2 HA LEU 96 - HB3 LEU 103 far 0 84 0 - 8.2-9.1 HB THR 65 - HB3 LEU 103 far 0 62 0 - 8.7-9.4 HA LEU 103 - HB3 LEU 98 far 0 64 0 - 8.9-11.4 HA GLU 102 - HB3 LEU 122 far 0 98 0 - 9.2-12.1 HA ALA 92 - HB3 LEU 122 far 0 92 0 - 9.6-11.7 HA ALA 92 - HB3 LEU 98 far 0 85 0 - 9.7-10.2 HA SER 60 - HB3 LEU 122 far 0 57 0 - 9.8-11.4 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 13 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 2.2-2.8 3.0=100 HG LEU 122 - HB3 LEU 103 far 0 94 0 - 4.8-6.5 HG LEU 119 - HB3 LEU 103 far 0 86 0 - 5.7-7.1 HG LEU 119 - HB3 LEU 122 far 0 95 0 - 6.1-7.3 HB2 LEU 122 - HB3 LEU 103 far 0 94 0 - 6.9-8.2 HG LEU 122 - HB3 LEU 98 far 0 95 0 - 8.0-10.2 HG LEU 70 - HB3 LEU 122 far 0 100 0 - 8.1-10.4 HB2 LEU 122 - HB3 LEU 98 far 0 96 0 - 8.4-11.6 HB2 LEU 122 - HB2 LEU 48 far 0 66 0 - 8.8-10.5 HG LEU 70 - HB3 LEU 98 far 0 96 0 - 8.9-9.9 HG LEU 70 - HB3 LEU 103 far 0 94 0 - 9.1-9.8 HG LEU 122 - HB2 LEU 48 far 0 65 0 - 9.5-11.9 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 16 assignments used, quality = 1.00: * HG LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.2-2.8 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 far 0 94 0 - 4.8-6.5 HB2 LEU 103 - HB3 LEU 122 far 0 65 0 - 5.6-6.9 HG LEU 119 - HB3 LEU 103 far 0 79 0 - 5.7-7.1 HG LEU 119 - HB3 LEU 122 far 0 89 0 - 6.1-7.3 HB2 LEU 122 - HB3 LEU 103 far 0 94 0 - 6.9-8.2 HG LEU 122 - HB3 LEU 98 far 0 96 0 - 8.0-10.2 HG LEU 70 - HB3 LEU 122 far 0 99 0 - 8.1-10.4 HB2 LEU 103 - HB3 LEU 98 far 0 59 0 - 8.2-10.6 HB2 LEU 122 - HB3 LEU 98 far 0 95 0 - 8.4-11.6 HB2 LEU 122 - HB2 LEU 48 far 0 65 0 - 8.8-10.5 HG LEU 70 - HB3 LEU 98 far 0 94 0 - 8.9-9.9 HG LEU 70 - HB3 LEU 103 far 0 92 0 - 9.1-9.8 HG LEU 122 - HB2 LEU 48 far 0 66 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 3881 from aliabs.peaks (0.81, 1.79, 41.93 ppm; 3.72 A): 7 out of 28 assignments used, quality = 1.00: * QD1 LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.4-3.2 3.1=100 QD2 LEU 122 + HB3 LEU 122 OK 83 83 100 100 2.0-3.2 3.1=100 QG1 VAL 63 + HB3 LEU 103 OK 63 64 100 98 3.2-4.2 10965/3.0=25...(32) QD1 LEU 103 + HB3 LEU 103 OK 62 62 100 100 3.2-3.2 3.2=100 QD1 LEU 53 + HB3 LEU 122 OK 46 95 95 51 2.3-6.4 3907/4.3=15, 3903=12...(7) QD2 LEU 49 + HB3 LEU 122 OK 39 98 95 42 2.7-4.8 11681/11678=17...(9) QD1 LEU 122 + HB3 LEU 103 OK 39 94 65 64 3.3-6.1 3895=17, ~3376=8...(22) QD2 LEU 122 - HB3 LEU 103 poor 18 73 25 - 3.0-5.5 QD1 LEU 103 - HB3 LEU 122 far 0 71 0 - 5.3-6.3 QD2 LEU 49 - HB2 LEU 48 far 0 62 0 - 5.3-5.9 QD2 LEU 119 - HB3 LEU 103 far 0 79 0 - 5.5-6.9 QD2 LEU 122 - HB3 LEU 98 far 0 75 0 - 5.6-8.3 QD2 LEU 119 - HB3 LEU 122 far 0 89 0 - 5.6-7.1 QD1 LEU 122 - HB3 LEU 98 far 0 96 0 - 5.6-9.0 QD1 LEU 53 - HB2 LEU 48 far 0 58 0 - 5.9-6.7 QD2 LEU 49 - HB3 LEU 103 far 0 90 0 - 6.4-7.1 QD1 LEU 70 - HB3 LEU 98 far 0 94 0 - 7.1-7.9 QD1 LEU 122 - HB2 LEU 48 far 0 66 0 - 7.1-10.5 QG1 VAL 63 - HB3 LEU 122 far 0 73 0 - 7.2-8.0 QD1 LEU 53 - HB3 LEU 103 far 0 86 0 - 7.5-9.3 QD1 LEU 70 - HB3 LEU 122 far 0 99 0 - 7.7-9.8 QD2 LEU 122 - HB2 LEU 48 far 0 48 0 - 8.7-10.5 QD1 LEU 103 - HB3 LEU 98 far 0 64 0 - 8.8-11.2 QD1 LEU 70 - HB3 LEU 103 far 0 93 0 - 9.1-9.8 QG2 ILE 129 - HB3 LEU 122 far 0 87 0 - 9.3-10.1 QG1 VAL 63 - HB3 LEU 98 far 0 66 0 - 9.5-10.6 QG1 VAL 63 - HB2 LEU 48 far 0 41 0 - 9.7-10.3 QD2 LEU 119 - HB2 LEU 48 far 0 53 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 3882 from aliabs.peaks (0.79, 1.79, 41.93 ppm; 3.68 A): 8 out of 31 assignments used, quality = 1.00: * QD2 LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 103 + HB3 LEU 103 OK 93 93 100 100 3.2-3.2 3.2=100 QG1 VAL 63 + HB3 LEU 103 OK 93 94 100 99 3.2-4.2 10965/3.0=39, 10963=31...(33) QD1 LEU 122 + HB3 LEU 122 OK 83 83 100 100 2.4-3.2 3.1=100 QD1 LEU 96 + HB3 LEU 122 OK 75 95 85 94 3.4-4.7 3100/3.0=24...(40) QD1 LEU 53 + HB3 LEU 122 OK 54 99 95 58 2.3-6.4 3907/4.3=20, 3903=17...(7) QD2 LEU 49 + HB3 LEU 122 OK 32 97 95 35 2.7-4.8 11681/11678=12...(9) QD1 LEU 122 + HB3 LEU 103 OK 28 73 60 62 3.3-6.1 3895=13, 3376/1.8=12...(20) QD2 LEU 122 - HB3 LEU 103 poor 14 94 25 61 3.0-5.5 3376/1.8=13, 2.1/3895=12...(19) QD1 LEU 103 - HB3 LEU 122 far 0 100 0 - 5.3-6.3 QD2 LEU 49 - HB2 LEU 48 far 0 60 0 - 5.3-5.9 QD2 LEU 119 - HB3 LEU 103 far 0 94 0 - 5.5-6.9 QD2 LEU 122 - HB3 LEU 98 far 0 96 0 - 5.6-8.3 QD2 LEU 119 - HB3 LEU 122 far 0 100 0 - 5.6-7.1 QD1 LEU 122 - HB3 LEU 98 far 0 75 0 - 5.6-9.0 QD1 LEU 53 - HB2 LEU 48 far 0 64 0 - 5.9-6.7 QD2 LEU 49 - HB3 LEU 103 far 0 88 0 - 6.4-7.1 QD1 LEU 96 - HB3 LEU 103 far 0 86 0 - 6.4-7.5 QD1 LEU 70 - HB3 LEU 98 far 0 61 0 - 7.1-7.9 QD1 LEU 122 - HB2 LEU 48 far 0 48 0 - 7.1-10.5 QG1 VAL 63 - HB3 LEU 122 far 0 100 0 - 7.2-8.0 QD1 LEU 53 - HB3 LEU 103 far 0 92 0 - 7.5-9.3 QD1 LEU 96 - HB3 LEU 98 far 0 88 0 - 7.6-8.5 QD1 LEU 70 - HB3 LEU 122 far 0 68 0 - 7.7-9.8 QD1 LEU 96 - HB2 LEU 48 far 0 58 0 - 8.1-8.5 QD2 LEU 122 - HB2 LEU 48 far 0 66 0 - 8.7-10.5 QD1 LEU 103 - HB3 LEU 98 far 0 95 0 - 8.8-11.2 QD1 LEU 70 - HB3 LEU 103 far 0 60 0 - 9.1-9.8 QG1 VAL 63 - HB3 LEU 98 far 0 95 0 - 9.5-10.6 QG1 VAL 63 - HB2 LEU 48 far 0 65 0 - 9.7-10.3 QD2 LEU 119 - HB2 LEU 48 far 0 66 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 3883 from aliabs.peaks (8.27, 1.79, 41.93 ppm; 4.92 A): 3 out of 8 assignments used, quality = 1.00: * H LEU 123 + HB3 LEU 122 OK 100 100 100 100 2.2-3.9 4.3=100 H VAL 126 + HB3 LEU 122 OK 88 96 95 97 4.7-5.5 10405/1.8=77...(13) H SER 99 + HB3 LEU 98 OK 66 66 100 100 3.0-4.2 4.6=100 H SER 99 - HB3 LEU 122 far 4 73 5 - 3.9-7.5 H LEU 96 - HB3 LEU 122 far 0 99 0 - 6.0-8.4 H LEU 96 - HB3 LEU 98 far 0 93 0 - 6.6-7.1 H SER 99 - HB3 LEU 103 far 0 64 0 - 6.8-7.4 H LEU 123 - HB3 LEU 103 far 0 94 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 3885 from aliabs.peaks (4.04, 1.60, 27.00 ppm; 4.36 A): 4 out of 22 assignments used, quality = 1.00: * HA LEU 122 + HG LEU 122 OK 100 100 100 100 3.2-3.7 4.3=100 HA LEU 119 + HG LEU 122 OK 72 93 85 91 3.0-5.8 3764/3.0=54, 3763=34...(14) HA LEU 96 + HG LEU 122 OK 66 93 75 95 4.3-5.4 3901/2.1=38, 3868/3.0=27...(24) HA LEU 119 + HG LEU 119 OK 60 60 100 100 2.7-2.9 3.7=100 HA LEU 103 - HG LEU 119 far 0 42 0 - 5.1-6.3 HB2 SER 74 - HG LEU 70 far 0 85 0 - 6.0-7.7 HB THR 65 - HG LEU 122 far 0 71 0 - 6.1-8.4 HA LEU 103 - HG LEU 122 far 0 71 0 - 6.2-7.9 HB3 SER 74 - HG LEU 70 far 0 77 0 - 6.2-8.2 HB3 SER 124 - HG LEU 122 far 0 65 0 - 7.0-9.8 HA LEU 96 - HG LEU 70 far 0 88 0 - 7.1-7.5 HA SER 60 - HG LEU 119 far 0 33 0 - 7.8-9.3 HB3 SER 74 - HG3 ARG 23 far 0 57 0 - 7.9-24.4 HA LYS 95 - HG LEU 122 far 0 92 0 - 8.3-9.5 HA LEU 122 - HG LEU 119 far 0 70 0 - 8.7-9.1 HA LYS 95 - HG LEU 70 far 0 86 0 - 8.7-9.5 HA LEU 122 - HG LEU 70 far 0 97 0 - 8.7-9.4 HA GLU 102 - HG LEU 122 far 0 98 0 - 8.8-10.5 HA SER 60 - HG LEU 122 far 0 57 0 - 8.9-10.9 HB2 SER 74 - HG3 ARG 23 far 0 64 0 - 9.1-23.7 HA GLU 102 - HG LEU 119 far 0 65 0 - 9.4-10.8 HB THR 65 - HG LEU 70 far 0 65 0 - 9.6-10.6 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): 3 out of 26 assignments used, quality = 1.00: * HB3 LEU 122 + HG LEU 122 OK 100 100 100 100 2.2-2.8 3.0=100 HG LEU 100 + HG LEU 122 OK 82 89 95 98 1.9-4.6 ~9487=44, ~9487=31...(31) HB3 ARG 23 + HG3 ARG 23 OK 41 41 100 100 2.3-3.0 3.0=100 HB3 LEU 103 - HG LEU 122 far 0 100 0 - 4.8-6.5 HG LEU 100 - HG LEU 70 far 0 83 0 - 5.2-6.2 HB3 LYS 19 - HG3 ARG 23 far 0 62 0 - 5.6-11.1 HB3 LEU 103 - HG LEU 119 far 0 69 0 - 5.7-7.1 HB3 LYS 24 - HG LEU 22 far 0 41 0 - 5.9-10.7 HB3 LEU 122 - HG LEU 119 far 0 70 0 - 6.1-7.3 HB3 LYS 26 - HG3 ARG 23 far 0 47 0 - 6.2-12.8 HB3 LYS 24 - HG3 ARG 23 far 0 49 0 - 6.3-8.1 HB3 LYS 31 - HG3 ARG 23 far 0 53 0 - 6.8-19.8 HB3 ARG 23 - HG LEU 22 far 0 34 0 - 6.9-8.7 HB3 LYS 19 - HG LEU 22 far 0 52 0 - 7.2-10.1 HB ILE 32 - HG3 ARG 23 far 0 55 0 - 7.7-18.1 HB3 LYS 31 - HG LEU 22 far 0 44 0 - 7.8-23.2 HG LEU 100 - HG LEU 119 far 0 55 0 - 7.9-9.4 HB3 LEU 98 - HG LEU 122 far 0 99 0 - 8.0-10.2 HB3 LEU 122 - HG LEU 70 far 0 97 0 - 8.1-10.4 HB3 LYS 26 - HG LEU 22 far 0 39 0 - 8.5-15.1 HB2 LYS 36 - HG3 ARG 23 far 0 43 0 - 8.7-21.9 HB2 LYS 86 - HG3 ARG 23 far 0 76 0 - 8.8-27.6 HB3 LEU 98 - HG LEU 70 far 0 95 0 - 8.9-9.9 HB3 LEU 103 - HG LEU 70 far 0 97 0 - 9.1-9.8 HB3 LYS 24 - HG LEU 70 far 0 68 0 - 9.3-30.2 HB2 LEU 48 - HG LEU 122 far 0 97 0 - 9.5-11.9 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): 5 out of 25 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 103 + HG LEU 119 OK 23 42 100 54 2.0-3.1 11548/10258=13...(9) QD2 LEU 49 - HG LEU 122 far 15 98 15 - 2.9-4.5 QD1 LEU 53 - HG LEU 122 far 0 95 0 - 4.2-5.8 QD2 LEU 122 - HG LEU 119 far 0 51 0 - 4.3-7.5 QD1 LEU 103 - HG LEU 122 far 0 71 0 - 4.3-6.1 QD2 LEU 119 - HG LEU 122 far 0 89 0 - 5.4-7.1 QD1 LEU 122 - HG LEU 70 far 0 97 0 - 5.5-7.8 QD1 LEU 122 - HG LEU 119 far 0 70 0 - 5.6-8.1 QG1 VAL 63 - HG LEU 122 far 0 73 0 - 5.6-7.7 QD1 LEU 53 - HG LEU 119 far 0 61 0 - 5.7-7.3 QD2 LEU 122 - HG LEU 70 far 0 77 0 - 5.9-7.9 QD2 LEU 49 - HG LEU 70 far 0 94 0 - 6.6-7.4 QG1 VAL 63 - HG LEU 70 far 0 68 0 - 6.7-7.2 QD1 LEU 70 - HG LEU 122 far 0 99 0 - 7.4-9.6 QD2 LEU 49 - HG LEU 119 far 0 65 0 - 7.6-8.0 QG1 VAL 63 - HG LEU 119 far 0 44 0 - 7.7-8.7 QG2 ILE 129 - HG LEU 70 far 0 81 0 - 8.0-8.8 QD1 LEU 70 - HG3 ARG 23 far 0 75 0 - 8.3-24.0 QG2 ILE 80 - HG3 ARG 23 far 0 73 0 - 9.1-23.9 QG2 ILE 129 - HG LEU 122 far 0 87 0 - 9.2-10.8 QD1 LEU 53 - HG LEU 70 far 0 89 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 3890 from aliabs.peaks (0.79, 1.60, 27.00 ppm; 3.97 A): 9 out of 30 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 122 OK 79 95 95 88 2.6-4.7 3100/4.3=20, ~10337=18...(23) QD2 LEU 119 + HG LEU 119 OK 69 69 100 100 2.1-2.1 2.1=100 QD1 LEU 70 + HG LEU 70 OK 63 63 100 100 2.1-2.1 2.1=100 QD1 LEU 103 + HG LEU 119 OK 59 68 100 87 2.0-3.1 11548/10258=40...(10) QD1 LEU 96 + HG LEU 70 OK 53 89 60 99 4.3-4.9 ~11106=51, ~11114=48...(17) QD1 LEU 103 + HG LEU 122 OK 27 100 40 68 4.3-6.1 11548/10258=13...(24) QD2 LEU 49 + HG LEU 122 OK 27 97 100 28 2.9-4.5 3872/3.0=8, 3881/3.0=4...(9) QD1 LEU 53 - HG LEU 122 poor 20 99 20 - 4.2-5.8 QD2 LEU 122 - HG LEU 119 far 3 70 5 - 4.3-7.5 QD1 ILE 32 - HG3 ARG 23 far 0 60 0 - 5.3-15.0 QD2 LEU 119 - HG LEU 122 far 0 100 0 - 5.4-7.1 QD1 LEU 122 - HG LEU 70 far 0 77 0 - 5.5-7.8 QD1 LEU 122 - HG LEU 119 far 0 51 0 - 5.6-8.1 QG1 VAL 63 - HG LEU 122 far 0 100 0 - 5.6-7.7 QD1 LEU 53 - HG LEU 119 far 0 67 0 - 5.7-7.3 QD2 LEU 122 - HG LEU 70 far 0 97 0 - 5.9-7.9 QD1 ILE 32 - HG LEU 22 far 0 50 0 - 6.3-15.8 QD2 LEU 49 - HG LEU 70 far 0 92 0 - 6.6-7.4 QG1 VAL 63 - HG LEU 70 far 0 96 0 - 6.7-7.2 QD1 ILE 37 - HG3 ARG 23 far 0 60 0 - 6.9-19.5 QD1 LEU 70 - HG LEU 122 far 0 68 0 - 7.4-9.6 QD2 LEU 49 - HG LEU 119 far 0 63 0 - 7.6-8.0 QG1 VAL 63 - HG LEU 119 far 0 69 0 - 7.7-8.7 QD1 LEU 70 - HG3 ARG 23 far 0 45 0 - 8.3-24.0 QD1 LEU 96 - HG LEU 119 far 0 61 0 - 8.9-10.0 QG2 ILE 80 - HG3 ARG 23 far 0 39 0 - 9.1-23.9 QD1 LEU 53 - HG LEU 70 far 0 95 0 - 9.8-11.6 QD1 ILE 37 - HG LEU 70 far 0 81 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 3892 from aliabs.peaks (8.18, 0.81, 25.60 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 122 + QD1 LEU 122 OK 100 100 100 100 2.3-4.1 4.3=100 H GLN 127 + QD1 LEU 122 OK 64 97 90 74 5.0-7.5 7741/3899=34...(4) H LEU 122 - QD1 LEU 70 far 0 95 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 3893 from aliabs.peaks (4.04, 0.81, 25.60 ppm; 3.91 A): 4 out of 18 assignments used, quality = 1.00: * HA LEU 122 + QD1 LEU 122 OK 100 100 100 100 1.8-3.8 3.8=100 HA LEU 96 + QD1 LEU 122 OK 61 93 70 93 1.8-4.8 3868/3.1=21...(28) HA LEU 119 + QD1 LEU 122 OK 30 93 40 80 3.7-6.2 3764/3.1=42, 3762/4.3=28...(11) HB2 SER 74 + QD1 LEU 70 OK 27 82 90 36 3.1-4.7 ~9842=17, 2282/11115=10...(5) HB3 SER 74 - QD1 LEU 70 poor 19 74 75 35 3.5-5.1 ~9842=17, 3.9/11123=8...(5) HB THR 65 - QD1 LEU 122 far 0 71 0 - 4.7-7.4 HA LYS 95 - QD1 LEU 122 far 0 92 0 - 5.4-8.6 HA LEU 103 - QD1 LEU 122 far 0 71 0 - 5.4-7.8 HA LEU 96 - QD1 LEU 70 far 0 85 0 - 6.2-6.5 HB3 SER 124 - QD1 LEU 122 far 0 65 0 - 6.5-8.9 HA SER 60 - QD1 LEU 122 far 0 57 0 - 6.5-10.0 HA LYS 95 - QD1 LEU 70 far 0 83 0 - 6.6-7.1 HA GLU 102 - QD1 LEU 122 far 0 98 0 - 7.3-10.0 HA ALA 92 - QD1 LEU 122 far 0 92 0 - 7.3-10.5 HA LEU 122 - QD1 LEU 70 far 0 95 0 - 7.8-8.5 HA ALA 92 - QD1 LEU 70 far 0 83 0 - 8.3-9.2 HB2 SER 74 - QD1 LEU 122 far 0 90 0 - 9.8-12.9 HB THR 65 - QD1 LEU 70 far 0 62 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 3894 from aliabs.peaks (1.61, 0.81, 25.60 ppm; 3.90 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LEU 122 + QD1 LEU 122 OK 100 100 100 100 1.9-2.8 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 70 - QD1 LEU 122 far 0 100 0 - 5.5-7.8 HG LEU 119 - QD1 LEU 122 far 0 95 0 - 5.6-8.1 HB2 LEU 122 - QD1 LEU 70 far 0 95 0 - 7.3-8.7 HG LEU 122 - QD1 LEU 70 far 0 94 0 - 7.4-9.6 HG3 ARG 23 - QD1 LEU 70 far 0 89 0 - 8.3-24.0 Violated in 0 structures by 0.00 A. Peak 3895 from aliabs.peaks (1.79, 0.81, 25.60 ppm; 3.78 A): 3 out of 12 assignments used, quality = 1.00: * HB3 LEU 122 + QD1 LEU 122 OK 100 100 100 100 2.4-3.2 3.1=100 HG LEU 100 + QD1 LEU 122 OK 87 89 100 98 1.7-3.5 2.1/9487=51, 3887/2.1=33...(32) HB3 LEU 103 + QD1 LEU 122 OK 42 100 65 64 3.3-6.1 3881=9, ~3376=8, ~3376=8...(24) HB3 LEU 98 - QD1 LEU 122 far 0 99 0 - 5.6-9.0 HG LEU 100 - QD1 LEU 70 far 0 80 0 - 5.7-6.7 HB3 LYS 24 - QD1 LEU 70 far 0 65 0 - 6.0-23.9 HB3 LEU 98 - QD1 LEU 70 far 0 92 0 - 7.1-7.9 HB2 LEU 48 - QD1 LEU 122 far 0 97 0 - 7.1-10.5 HB3 LEU 122 - QD1 LEU 70 far 0 95 0 - 7.7-9.8 HB3 LYS 19 - QD1 LEU 70 far 0 80 0 - 8.0-30.7 HB3 LEU 103 - QD1 LEU 70 far 0 94 0 - 9.1-9.8 HB3 ARG 23 - QD1 LEU 70 far 0 55 0 - 9.3-24.2 Violated in 0 structures by 0.00 A. Peak 3896 from aliabs.peaks (1.60, 0.81, 25.60 ppm; 3.13 A): 3 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 100 100 100 100 1.9-2.8 3.1=98, 4.3/3899=20...(21) HG LEU 70 + QD1 LEU 70 OK 92 92 100 100 2.1-2.1 2.1=100 HB2 LEU 103 - QD1 LEU 122 poor 16 65 25 - 3.4-5.8 HG LEU 70 - QD1 LEU 122 far 0 99 0 - 5.5-7.8 HG LEU 119 - QD1 LEU 122 far 0 89 0 - 5.6-8.1 HB2 LEU 122 - QD1 LEU 70 far 0 94 0 - 7.3-8.7 HG LEU 122 - QD1 LEU 70 far 0 95 0 - 7.4-9.6 HG3 ARG 23 - QD1 LEU 70 far 0 83 0 - 8.3-24.0 HB2 LEU 103 - QD1 LEU 70 far 0 58 0 - 9.9-10.5 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): 5 out of 8 assignments used, quality = 1.00: * H LEU 123 + QD1 LEU 122 OK 99 100 100 99 2.5-4.9 7744/3.1=59, 3891/2.1=39...(14) H VAL 126 + QD1 LEU 122 OK 73 96 80 96 3.7-5.7 10405/3.1=63...(13) H LEU 96 + QD1 LEU 70 OK 72 92 80 98 5.2-5.8 11083/2.1=79...(13) H SER 99 + QD1 LEU 122 OK 69 73 95 99 3.1-6.3 3.7/11702=62, ~11481=51...(22) H LEU 96 + QD1 LEU 122 OK 29 99 30 98 4.2-7.0 2.9/3893=28, ~3901=26...(31) H SER 99 - QD1 LEU 70 far 0 65 0 - 6.4-7.1 H VAL 126 - QD1 LEU 70 far 0 88 0 - 8.4-9.0 H ARG 23 - QD1 LEU 70 far 0 93 0 - 8.9-24.1 Violated in 0 structures by 0.00 A. Peak 3901 from aliabs.peaks (4.04, 0.79, 25.94 ppm; 3.49 A): 2 out of 18 assignments used, quality = 0.99: * HA LEU 122 + QD2 LEU 122 OK 96 100 100 96 1.8-4.0 3.9=69, 3860/2.1=21...(24) HA LEU 96 + QD2 LEU 122 OK 69 93 85 87 1.8-4.8 3.0/10337=24...(27) HA LEU 119 - QD2 LEU 122 poor 19 93 20 - 2.4-5.7 HA LEU 119 - QD1 LEU 53 poor 15 73 20 - 3.8-5.1 HA LEU 122 - QD1 LEU 53 far 0 84 0 - 4.3-7.1 HA LEU 103 - QD2 LEU 122 far 0 71 0 - 4.7-6.8 HB THR 65 - QD1 LEU 53 far 0 53 0 - 5.0-5.7 HA LYS 95 - QD2 LEU 122 far 0 92 0 - 5.3-8.1 HB THR 65 - QD2 LEU 122 far 0 71 0 - 5.7-7.6 HB3 SER 124 - QD1 LEU 53 far 0 48 0 - 6.0-8.0 HA LEU 96 - QD1 LEU 53 far 0 73 0 - 6.4-8.4 HA GLU 102 - QD2 LEU 122 far 0 98 0 - 6.7-7.9 HB3 SER 124 - QD2 LEU 122 far 0 65 0 - 6.7-7.8 HA SER 60 - QD2 LEU 122 far 0 57 0 - 7.0-10.1 HA ALA 92 - QD2 LEU 122 far 0 92 0 - 7.1-10.2 HA SER 60 - QD1 LEU 53 far 0 42 0 - 8.6-10.7 HA LEU 103 - QD1 LEU 53 far 0 53 0 - 8.8-10.5 HA ALA 92 - QD1 LEU 53 far 0 72 0 - 10.0-12.6 Violated in 1 structures by 0.02 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 2.4-3.2 3.1=100 HG LEU 122 + QD2 LEU 122 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 122 + QD1 LEU 53 OK 40 84 85 56 2.9-5.9 4.3/3907=19, 3.5/3900=13...(8) HG LEU 122 - QD1 LEU 53 far 4 83 5 - 4.2-5.8 HG LEU 119 - QD2 LEU 122 far 0 95 0 - 4.3-7.5 HG LEU 119 - QD1 LEU 53 far 0 75 0 - 5.7-7.3 HG LEU 70 - QD2 LEU 122 far 0 100 0 - 5.9-7.9 HG LEU 70 - QD1 LEU 53 far 0 83 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 3903 from aliabs.peaks (1.79, 0.79, 25.94 ppm; 3.43 A): 3 out of 9 assignments used, quality = 1.00: * HB3 LEU 122 + QD2 LEU 122 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 100 + QD2 LEU 122 OK 87 89 100 98 1.9-3.1 ~9487=39, 3887/2.1=28...(32) HB3 LEU 122 + QD1 LEU 53 OK 37 84 90 49 2.3-6.4 4.3/3907=17, 1.8/3902=12...(7) HB3 LEU 103 - QD2 LEU 122 far 15 100 15 - 3.0-5.5 HB3 LEU 98 - QD2 LEU 122 far 0 99 0 - 5.6-8.3 HB2 LEU 48 - QD1 LEU 53 far 0 77 0 - 5.9-6.7 HG LEU 100 - QD1 LEU 53 far 0 69 0 - 6.2-7.6 HB3 LEU 103 - QD1 LEU 53 far 0 83 0 - 7.5-9.3 HB2 LEU 48 - QD2 LEU 122 far 0 97 0 - 8.7-10.5 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 2.4-3.2 3.1=100 HB2 LEU 122 + QD1 LEU 53 OK 39 83 85 56 2.9-5.9 4.3/3907=19, 3.5/3900=13...(8) HB2 LEU 103 - QD2 LEU 122 poor 16 65 40 60 2.7-4.9 3376=9, ~3895=8...(24) HG LEU 122 - QD1 LEU 53 far 4 84 5 - 4.2-5.8 HG LEU 119 - QD2 LEU 122 far 0 89 0 - 4.3-7.5 HG LEU 119 - QD1 LEU 53 far 0 69 0 - 5.7-7.3 HG LEU 70 - QD2 LEU 122 far 0 99 0 - 5.9-7.9 HB2 LEU 103 - QD1 LEU 53 far 0 48 0 - 7.0-8.8 HG LEU 70 - QD1 LEU 53 far 0 81 0 - 9.8-11.6 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 7 assignments used, quality = 1.00: * H LEU 123 + HA LEU 123 OK 100 100 100 100 2.7-2.8 2.9=100 H VAL 126 + HA LEU 123 OK 95 96 100 99 3.5-3.9 3.7/3917=69, 7772/3.6=62...(15) H LEU 123 - HA LEU 62 far 0 59 0 - 7.6-8.7 H LEU 96 - HA LEU 123 far 0 99 0 - 8.7-9.6 H SER 99 - HA LEU 123 far 0 73 0 - 9.2-10.7 H ASP 131 - HA LEU 123 far 0 100 0 - 9.7-10.5 H VAL 126 - HA LEU 62 far 0 52 0 - 9.9-10.7 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 8 assignments used, quality = 1.00: * HB2 LEU 123 + HA LEU 123 OK 100 100 100 100 2.9-3.0 3.0=100 HG LEU 62 + HA LEU 62 OK 58 58 100 100 2.9-3.2 3.7=100 HG LEU 119 - HA LEU 62 far 0 32 0 - 7.5-8.2 HG LEU 62 - HA LEU 123 far 0 100 0 - 8.4-9.5 HB2 LEU 69 - HA LEU 123 far 0 100 0 - 8.5-9.3 HB2 LEU 123 - HA LEU 62 far 0 59 0 - 8.5-10.2 HG LEU 119 - HA LEU 123 far 0 65 0 - 8.8-9.7 HB2 LEU 69 - HA LEU 62 far 0 59 0 - 9.8-10.7 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 2.2-2.4 3.0=100 HB3 LEU 48 - HA LEU 62 far 0 50 0 - 6.9-7.8 HB3 LEU 119 - HA LEU 123 far 0 99 0 - 7.6-8.5 HB3 LEU 123 - HA LEU 62 far 0 59 0 - 7.7-8.7 HB3 LEU 48 - HA LEU 123 far 0 93 0 - 8.0-9.4 HB3 LEU 119 - HA LEU 62 far 0 57 0 - 8.5-8.9 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 8 assignments used, quality = 1.00: * HG LEU 123 + HA LEU 123 OK 100 100 100 100 3.6-3.7 3.7=100 HG LEU 49 + HA LEU 62 OK 51 57 100 89 4.0-4.6 11025/11027=51, 3937=43...(7) HG LEU 49 - HA LEU 123 far 0 99 0 - 5.7-6.6 HG LEU 103 - HA LEU 62 far 0 57 0 - 6.6-7.7 HB2 LEU 119 - HA LEU 62 far 0 41 0 - 6.8-7.2 HB2 LEU 119 - HA LEU 123 far 0 81 0 - 6.8-7.7 HB2 LEU 103 - HA LEU 62 far 0 53 0 - 7.9-8.7 HB2 LEU 103 - HA LEU 123 far 0 97 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 3913 from aliabs.peaks (0.88, 3.85, 58.17 ppm; 3.93 A): 2 out of 16 assignments used, quality = 1.00: * QD2 LEU 123 + HA LEU 123 OK 100 100 100 100 3.5-4.0 3.9=100 QG2 VAL 57 + HA LEU 62 OK 26 35 85 87 4.0-4.6 9319/3.9=34, 9316/3.7=33...(10) QG2 VAL 63 - HA LEU 62 far 0 30 0 - 4.8-5.0 QD2 LEU 48 - HA LEU 62 far 0 51 0 - 6.2-7.9 QD2 LEU 69 - HA LEU 123 far 0 90 0 - 6.5-7.3 QD1 LEU 48 - HA LEU 62 far 0 32 0 - 6.7-7.3 QG1 VAL 118 - HA LEU 62 far 0 53 0 - 6.8-7.9 QD2 LEU 69 - HA LEU 62 far 0 48 0 - 7.2-7.6 QG1 VAL 118 - HA LEU 123 far 0 97 0 - 7.3-8.1 QD2 LEU 123 - HA LEU 62 far 0 59 0 - 7.8-8.5 QG2 VAL 57 - HA LEU 123 far 0 71 0 - 8.1-8.7 QD2 LEU 70 - HA LEU 123 far 0 71 0 - 8.2-9.1 QD2 LEU 48 - HA LEU 123 far 0 95 0 - 9.1-9.8 QD1 LEU 48 - HA LEU 123 far 0 65 0 - 9.1-10.0 QD2 LEU 70 - HA LEU 62 far 0 35 0 - 9.2-9.8 QG2 VAL 63 - HA LEU 123 far 0 63 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 3914 from aliabs.peaks (0.93, 3.85, 58.17 ppm; 3.72 A): 2 out of 14 assignments used, quality = 1.00: * QD1 LEU 123 + HA LEU 123 OK 100 100 100 100 1.9-2.3 4.0=78, 3952/2.9=50...(22) QD1 LEU 62 + HA LEU 62 OK 52 52 100 99 3.7-3.9 4.1=75, 2.1/1998=69...(11) QG2 VAL 63 - HA LEU 62 far 0 49 0 - 4.8-5.0 QD1 LEU 49 - HA LEU 123 far 0 95 0 - 4.9-5.8 QG1 VAL 57 - HA LEU 62 far 0 46 0 - 5.2-5.8 QD1 LEU 49 - HA LEU 62 far 0 51 0 - 5.3-5.8 QD1 LEU 62 - HA LEU 123 far 0 96 0 - 5.5-6.7 QD1 LEU 48 - HA LEU 62 far 0 48 0 - 6.7-7.3 QD1 LEU 123 - HA LEU 62 far 0 59 0 - 7.7-8.8 QD1 LEU 119 - HA LEU 62 far 0 51 0 - 7.8-8.2 QD1 LEU 119 - HA LEU 123 far 0 95 0 - 8.4-9.1 QD1 LEU 48 - HA LEU 123 far 0 90 0 - 9.1-10.0 QG2 VAL 63 - HA LEU 123 far 0 92 0 - 9.3-10.3 QG1 VAL 57 - HA LEU 123 far 0 89 0 - 9.9-10.8 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 11 assignments used, quality = 1.00: * H VAL 126 + HA LEU 123 OK 100 100 100 100 3.5-3.9 7797/3917=75...(15) H LEU 123 + HA LEU 123 OK 96 96 100 100 2.7-2.8 2.9=100 H LEU 49 - HA LEU 123 far 0 81 0 - 6.0-7.0 H LEU 49 - HA LEU 62 far 0 41 0 - 6.1-6.7 H LEU 123 - HA LEU 62 far 0 52 0 - 7.6-8.7 H LEU 69 - HA LEU 62 far 0 44 0 - 8.6-9.1 H LEU 96 - HA LEU 123 far 0 100 0 - 8.7-9.6 H SER 99 - HA LEU 123 far 0 96 0 - 9.2-10.7 H ASP 131 - HA LEU 123 far 0 99 0 - 9.7-10.5 H LEU 69 - HA LEU 123 far 0 85 0 - 9.9-10.8 H VAL 126 - HA LEU 62 far 0 59 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 3917 from aliabs.peaks (2.11, 3.85, 58.17 ppm; 4.35 A): 2 out of 6 assignments used, quality = 0.99: * HB VAL 126 + HA LEU 123 OK 99 100 100 99 2.7-3.0 4008=74, 7797/3916=48...(16) HB3 GLN 61 + HA LEU 62 OK 46 56 100 83 4.4-4.8 ~6787=27, 6786/2.9=23...(10) HB VAL 57 - HA LEU 62 far 2 44 5 - 4.9-5.5 HB2 GLN 61 - HA LEU 62 far 0 53 0 - 5.5-5.6 HB2 GLU 128 - HA LEU 123 far 0 63 0 - 7.3-7.7 HB VAL 126 - HA LEU 62 far 0 59 0 - 8.3-9.1 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 2.1-2.6 3813=100, 3927/1.8=75...(15) HA THR 54 - HB2 LEU 123 far 0 100 0 - 6.8-8.8 Violated in 0 structures by 0.00 A. Peak 3920 from aliabs.peaks (3.85, 1.65, 41.13 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 SER 50 - HB2 LEU 123 far 0 65 0 - 5.6-7.7 HB3 SER 50 - HB2 LEU 123 far 0 63 0 - 5.6-8.0 HA LEU 62 - HB2 LEU 123 far 0 90 0 - 8.5-10.2 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): 1 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 far 0 99 0 - 5.6-6.6 Violated in 0 structures by 0.00 A. Peak 3923 from aliabs.peaks (1.57, 1.65, 41.13 ppm; 4.74 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.3-2.4 3.0=100 HB2 LEU 119 - HB2 LEU 123 far 0 81 0 - 5.5-6.5 HG LEU 49 - HB2 LEU 123 far 0 99 0 - 7.7-9.0 HB2 LEU 103 - HB2 LEU 123 far 0 97 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 3924 from aliabs.peaks (0.88, 1.65, 41.13 ppm; 3.56 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.3-2.7 3.2=100 QG1 VAL 118 - HB2 LEU 123 far 0 97 0 - 6.7-7.4 QG2 VAL 57 - HB2 LEU 123 far 0 71 0 - 7.5-9.0 QD2 LEU 69 - HB2 LEU 123 far 0 90 0 - 8.8-9.8 QG2 VAL 63 - HB2 LEU 123 far 0 63 0 - 9.6-10.8 QD2 LEU 70 - HB2 LEU 123 far 0 71 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 3925 from aliabs.peaks (0.93, 1.65, 41.13 ppm; 3.91 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 123 + HB2 LEU 123 OK 100 100 100 100 3.1-3.2 3.2=100 QD1 LEU 62 - HB2 LEU 123 far 0 96 0 - 4.7-6.5 QD1 LEU 119 - HB2 LEU 123 far 0 95 0 - 6.8-7.6 QD1 LEU 49 - HB2 LEU 123 far 0 95 0 - 7.0-8.2 QG2 VAL 63 - HB2 LEU 123 far 0 92 0 - 9.6-10.8 QG1 VAL 57 - HB2 LEU 123 far 0 89 0 - 9.7-11.3 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 3.0-4.2 3813/1.8=85...(16) HA THR 54 - HB3 LEU 123 far 0 100 0 - 6.0-7.9 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 4 assignments used, quality = 1.00: * HA LEU 123 + HB3 LEU 123 OK 100 100 100 100 2.2-2.4 3.0=100 HB2 SER 50 - HB3 LEU 123 poor 16 65 25 - 4.3-6.6 HB3 SER 50 - HB3 LEU 123 far 3 63 5 - 4.5-6.9 HA LEU 62 - HB3 LEU 123 far 0 90 0 - 7.7-8.7 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 3 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 119 - HB3 LEU 123 far 0 65 0 - 7.3-8.5 HG LEU 62 - HB3 LEU 123 far 0 100 0 - 7.4-8.4 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): 1 out of 4 assignments used, quality = 1.00: * HG LEU 123 + HB3 LEU 123 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 LEU 119 - HB3 LEU 123 far 0 81 0 - 4.9-6.1 HG LEU 49 - HB3 LEU 123 far 0 99 0 - 6.6-7.7 HB2 LEU 103 - HB3 LEU 123 far 0 97 0 - 9.0-10.8 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 8 assignments used, quality = 1.00: * QD2 LEU 123 + HB3 LEU 123 OK 100 100 100 100 2.1-2.4 3.2=100 QG2 VAL 57 - HB3 LEU 123 far 0 71 0 - 6.8-7.7 QG1 VAL 118 - HB3 LEU 123 far 0 97 0 - 6.9-8.1 QD2 LEU 69 - HB3 LEU 123 far 0 90 0 - 7.9-9.0 QG2 VAL 63 - HB3 LEU 123 far 0 63 0 - 9.0-10.0 QD2 LEU 48 - HB3 LEU 123 far 0 95 0 - 9.2-10.5 QD1 LEU 48 - HB3 LEU 123 far 0 65 0 - 9.6-11.0 QD2 LEU 70 - HB3 LEU 123 far 0 71 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 3934 from aliabs.peaks (0.93, 1.88, 41.13 ppm; 3.78 A): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 123 + HB3 LEU 123 OK 100 100 100 100 2.4-2.7 3.2=100 QD1 LEU 62 - HB3 LEU 123 far 0 96 0 - 4.4-5.5 QD1 LEU 49 - HB3 LEU 123 far 0 95 0 - 6.0-7.2 QD1 LEU 119 - HB3 LEU 123 far 0 95 0 - 6.7-7.9 QG1 VAL 57 - HB3 LEU 123 far 0 89 0 - 8.8-10.0 QG2 VAL 63 - HB3 LEU 123 far 0 92 0 - 9.0-10.0 QD1 LEU 48 - HB3 LEU 123 far 0 90 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 3937 from aliabs.peaks (3.85, 1.57, 26.88 ppm; 4.54 A): 2 out of 11 assignments used, quality = 1.00: * HA LEU 123 + HG LEU 123 OK 100 100 100 100 3.6-3.7 3.7=100 HA LEU 62 + HG LEU 49 OK 79 86 100 92 4.0-4.6 11027/11025=52...(7) HB2 SER 50 - HG LEU 123 poor 20 65 30 - 4.7-7.0 HB3 SER 50 - HG LEU 123 far 6 63 10 - 4.6-7.1 HB3 SER 33 - HG2 ARG 23 far 4 88 5 - 5.0-19.8 HA LEU 123 - HG LEU 49 far 0 98 0 - 5.7-6.6 HA LEU 62 - HG LEU 103 far 0 83 0 - 6.6-7.7 HB3 SER 50 - HG LEU 49 far 0 59 0 - 6.7-8.0 HB2 SER 50 - HG LEU 49 far 0 61 0 - 6.7-8.0 HA LEU 70 - HG LEU 49 far 0 54 0 - 9.8-10.3 HD2 PRO 117 - HG LEU 103 far 0 95 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 3938 from aliabs.peaks (1.65, 1.57, 26.88 ppm; 4.74 A): 2 out of 21 assignments used, quality = 1.00: * HB2 LEU 123 + HG LEU 123 OK 100 100 100 100 2.3-2.4 3.0=100 HG3 ARG 23 + HG2 ARG 23 OK 57 57 100 100 1.8-1.8 1.8=100 HD3 LYS 24 - HG2 ARG 23 poor 17 98 40 44 3.2-9.1 5.9/6215=37, 843/6205=4...(4) HG LEU 119 - HG LEU 103 poor 15 59 25 - 4.9-6.0 HD2 LYS 24 - HG2 ARG 23 poor 10 92 25 44 4.2-9.3 5.9/6215=37, 854/6205=3...(4) HD3 LYS 31 - HG2 ARG 23 far 0 95 0 - 5.6-20.5 HD2 LYS 31 - HG2 ARG 23 far 0 97 0 - 5.8-21.8 HG LEU 62 - HG LEU 103 far 0 95 0 - 6.2-7.4 HD3 LYS 26 - HG2 ARG 23 far 0 91 0 - 6.3-13.4 HB2 LEU 69 - HG LEU 49 far 0 98 0 - 6.4-6.9 HG LEU 22 - HG2 ARG 23 far 0 59 0 - 6.4-9.5 HG LEU 62 - HG LEU 49 far 0 97 0 - 6.5-7.2 HD2 LYS 26 - HG2 ARG 23 far 0 94 0 - 7.2-13.0 HD2 LYS 36 - HG2 ARG 23 far 0 91 0 - 7.5-20.9 HB2 LEU 123 - HG LEU 49 far 0 98 0 - 7.7-9.0 HD2 LYS 86 - HG2 ARG 23 far 0 97 0 - 7.9-24.7 HD3 LYS 86 - HG2 ARG 23 far 0 98 0 - 8.2-25.7 HD3 LYS 36 - HG2 ARG 23 far 0 92 0 - 8.7-22.6 HD3 LYS 19 - HG2 ARG 23 far 0 98 0 - 9.0-13.6 HD2 LYS 19 - HG2 ARG 23 far 0 98 0 - 9.4-12.6 HG LEU 119 - HG LEU 123 far 0 65 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 3939 from aliabs.peaks (1.88, 1.57, 26.88 ppm; 3.74 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 123 + HG LEU 123 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 LEU 48 + HG LEU 49 OK 43 89 55 87 3.9-5.0 4.6/6606=31...(15) HB3 LEU 123 - HG LEU 49 far 0 98 0 - 6.6-7.7 HB3 LEU 119 - HG LEU 123 far 0 99 0 - 7.5-8.4 HB3 LEU 119 - HG LEU 103 far 0 94 0 - 7.6-8.4 HB3 LYS 36 - HG2 ARG 23 far 0 98 0 - 9.6-21.0 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): 2 out of 21 assignments used, quality = 1.00: * QD2 LEU 123 + HG LEU 123 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 63 + HG LEU 103 OK 47 57 100 84 1.8-2.7 11822/2.1=17, ~11832=15...(27) QG2 VAL 20 - HG2 ARG 23 poor 19 93 20 - 2.5-5.1 QD1 LEU 22 - HG2 ARG 23 far 0 97 0 - 3.6-7.6 QD2 LEU 69 - HG LEU 49 far 0 86 0 - 3.7-4.0 QG1 VAL 118 - HG LEU 103 far 0 91 0 - 3.7-4.3 QD1 LEU 48 - HG LEU 49 far 0 61 0 - 4.9-5.7 QG1 VAL 20 - HG2 ARG 23 far 0 64 0 - 5.1-7.3 QD2 LEU 48 - HG LEU 49 far 0 91 0 - 5.4-6.3 QG2 VAL 57 - HG LEU 49 far 0 67 0 - 6.7-7.2 QD2 LEU 70 - HG LEU 49 far 0 67 0 - 7.0-7.5 QG2 VAL 63 - HG LEU 49 far 0 59 0 - 7.0-7.6 QD2 LEU 123 - HG LEU 49 far 0 98 0 - 7.3-8.0 QG2 VAL 57 - HG LEU 103 far 0 64 0 - 8.0-8.7 QG1 VAL 118 - HG LEU 49 far 0 93 0 - 8.1-8.9 QG1 VAL 118 - HG LEU 123 far 0 97 0 - 8.4-9.3 QG2 VAL 57 - HG LEU 123 far 0 71 0 - 9.0-9.7 QD1 LEU 98 - HG LEU 103 far 0 69 0 - 9.2-11.3 QD2 LEU 70 - HG LEU 103 far 0 64 0 - 9.4-10.3 QD2 LEU 69 - HG LEU 123 far 0 90 0 - 9.4-10.2 QD2 LEU 70 - HG2 ARG 23 far 0 67 0 - 9.8-25.2 Violated in 0 structures by 0.00 A. Peak 3942 from aliabs.peaks (0.93, 1.57, 26.88 ppm; 3.43 A): 3 out of 20 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 82 85 100 97 1.8-2.7 1584=28, 11722/2.1=23...(32) QD1 LEU 62 - HG LEU 103 far 0 89 0 - 4.9-5.5 QD1 LEU 48 - HG LEU 49 far 0 86 0 - 4.9-5.7 QG1 VAL 20 - HG2 ARG 23 far 0 85 0 - 5.1-7.3 QD1 LEU 62 - HG LEU 49 far 0 92 0 - 5.5-6.1 QD1 LEU 119 - HG LEU 103 far 0 88 0 - 5.7-6.8 QD1 LEU 123 - HG LEU 49 far 0 98 0 - 6.1-7.0 QG1 VAL 105 - HG LEU 103 far 0 57 0 - 6.4-6.8 QD1 LEU 62 - HG LEU 123 far 0 96 0 - 6.7-7.8 QG2 VAL 63 - HG LEU 49 far 0 88 0 - 7.0-7.6 QG1 VAL 57 - HG LEU 49 far 0 84 0 - 7.5-8.5 QD1 LEU 49 - HG LEU 123 far 0 95 0 - 7.9-8.8 QG2 VAL 112 - HG LEU 103 far 0 96 0 - 7.9-9.6 QD1 LEU 119 - HG LEU 123 far 0 95 0 - 8.3-9.0 QD1 LEU 49 - HG LEU 103 far 0 88 0 - 9.0-10.3 QG1 VAL 57 - HG LEU 103 far 0 82 0 - 9.3-10.3 QG2 ILE 37 - HG2 ARG 23 far 0 95 0 - 9.9-21.3 QD1 LEU 119 - HG LEU 49 far 0 91 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 3944 from aliabs.peaks (8.27, 0.88, 25.15 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 123 + QD2 LEU 123 OK 100 100 100 100 4.1-4.3 7752=100, 3952/2.1=85...(14) H VAL 126 - QD2 LEU 123 far 0 96 0 - 6.4-6.7 Violated in 0 structures by 0.00 A. Peak 3945 from aliabs.peaks (3.85, 0.88, 25.15 ppm; 3.99 A increased from 3.55 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 123 + QD2 LEU 123 OK 100 100 100 100 3.5-4.0 3.9=100 HB2 SER 50 + QD2 LEU 123 OK 32 65 50 99 3.9-5.6 3.0/11636=67, ~11339=45...(22) HB3 SER 50 - QD2 LEU 123 poor 16 63 25 - 3.6-5.5 HA LEU 62 - QD2 LEU 123 far 0 90 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 3946 from aliabs.peaks (1.65, 0.88, 25.15 ppm; 3.43 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 123 + QD2 LEU 123 OK 100 100 100 100 2.3-2.7 3.2=100 HG LEU 119 - QD2 LEU 123 far 0 65 0 - 7.1-8.0 HG LEU 62 - QD2 LEU 123 far 0 100 0 - 7.4-8.0 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 2.1-2.4 3.2=98, 3.9/3944=26...(15) HB3 LEU 119 - QD2 LEU 123 far 0 99 0 - 5.1-6.1 HB3 LEU 48 - QD2 LEU 123 far 0 93 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 3948 from aliabs.peaks (1.57, 0.88, 25.15 ppm; 2.87 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 123 + QD2 LEU 123 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 119 - QD2 LEU 123 far 0 81 0 - 4.8-5.8 HG LEU 49 - QD2 LEU 123 far 0 99 0 - 7.3-8.0 HB2 LEU 103 - QD2 LEU 123 far 0 97 0 - 9.3-10.7 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): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 123 + QD2 LEU 123 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 62 - QD2 LEU 123 far 0 96 0 - 4.6-5.6 QD1 LEU 119 - QD2 LEU 123 far 0 95 0 - 5.9-6.7 QD1 LEU 49 - QD2 LEU 123 far 0 95 0 - 6.6-7.4 QG1 VAL 57 - QD2 LEU 123 far 0 89 0 - 8.0-8.4 QG2 VAL 63 - QD2 LEU 123 far 0 92 0 - 8.9-9.8 QD1 LEU 48 - QD2 LEU 123 far 0 90 0 - 9.4-10.0 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 9 assignments used, quality = 0.99: * HA LEU 123 + QD1 LEU 123 OK 96 100 100 96 1.9-2.3 4.0=44, 2.9/3952=33...(21) HB2 SER 50 + QD1 LEU 123 OK 58 65 95 93 2.0-3.8 3.0/11874=46...(22) HB3 SER 50 + QD1 LEU 123 OK 45 63 80 90 1.9-3.9 3.0/11874=46...(20) HA LEU 62 - QD1 LEU 48 far 0 42 0 - 6.7-7.3 HB3 SER 50 - QD1 LEU 48 far 0 26 0 - 7.5-9.4 HB2 SER 50 - QD1 LEU 48 far 0 28 0 - 7.7-9.0 HA LEU 62 - QD1 LEU 123 far 0 90 0 - 7.7-8.8 HA GLU 40 - QD1 LEU 48 far 0 36 0 - 8.7-10.0 HA LEU 123 - QD1 LEU 48 far 0 52 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 3954 from aliabs.peaks (1.65, 0.93, 23.87 ppm; 3.35 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 123 + QD1 LEU 123 OK 100 100 100 100 3.1-3.2 3.2=100 HB2 LEU 69 - QD1 LEU 48 far 0 52 0 - 7.6-8.2 HG LEU 62 - QD1 LEU 123 far 0 100 0 - 8.2-9.0 HG LEU 119 - QD1 LEU 123 far 0 65 0 - 8.6-9.6 HB2 LEU 69 - QD1 LEU 123 far 0 100 0 - 8.7-9.4 HG LEU 62 - QD1 LEU 48 far 0 51 0 - 8.8-9.5 HG LEU 43 - QD1 LEU 48 far 0 51 0 - 9.4-10.5 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 6 assignments used, quality = 1.00: * HB3 LEU 123 + QD1 LEU 123 OK 100 100 100 100 2.4-2.7 3.2=100 HB3 LEU 48 + QD1 LEU 48 OK 44 44 100 100 2.1-2.4 3.1=100 HB3 LEU 119 - QD1 LEU 123 far 0 99 0 - 7.1-8.0 HB3 LEU 48 - QD1 LEU 123 far 0 93 0 - 7.8-8.5 HB2 GLU 40 - QD1 LEU 48 far 0 38 0 - 9.3-11.2 HB3 LEU 123 - QD1 LEU 48 far 0 52 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 3956 from aliabs.peaks (1.57, 0.93, 23.87 ppm; 3.00 A): 1 out of 6 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 48 far 0 51 0 - 4.9-5.7 HG LEU 49 - QD1 LEU 123 far 0 99 0 - 6.1-7.0 HB2 LEU 119 - QD1 LEU 123 far 0 81 0 - 6.5-7.5 HB3 LEU 42 - QD1 LEU 48 far 0 34 0 - 8.7-9.5 HB2 LEU 103 - QD1 LEU 123 far 0 97 0 - 9.9-11.2 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 14 assignments used, quality = 1.00: * QD2 LEU 123 + QD1 LEU 123 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 48 + QD1 LEU 48 OK 45 45 100 100 1.9-2.0 2.1=100 QD2 LEU 69 - QD1 LEU 48 far 0 42 0 - 3.9-4.5 QD2 LEU 69 - QD1 LEU 123 far 0 90 0 - 6.5-7.1 QG2 VAL 57 - QD1 LEU 123 far 0 71 0 - 7.0-7.8 QG2 VAL 57 - QD1 LEU 48 far 0 30 0 - 7.5-8.1 QG1 VAL 118 - QD1 LEU 123 far 0 97 0 - 7.8-8.5 QD2 LEU 48 - QD1 LEU 123 far 0 95 0 - 7.9-8.4 QD1 LEU 48 - QD1 LEU 123 far 0 65 0 - 8.3-9.0 QD2 LEU 70 - QD1 LEU 48 far 0 30 0 - 8.4-9.1 QD2 LEU 70 - QD1 LEU 123 far 0 71 0 - 8.5-9.3 QG2 VAL 63 - QD1 LEU 48 far 0 26 0 - 9.0-9.5 QG2 VAL 63 - QD1 LEU 123 far 0 63 0 - 9.2-10.2 QD2 LEU 123 - QD1 LEU 48 far 0 52 0 - 9.4-10.0 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 2.8-2.8 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 2.6-3.0 3.0=100 HB3 SER 94 + HA SER 94 OK 78 78 100 100 2.4-3.0 3.0=100 HB3 SER 124 + HA SER 124 OK 76 76 100 100 2.3-2.7 3.0=100 HA GLN 127 - HA SER 124 far 0 81 0 - 5.7-6.0 HA SER 50 - HA SER 124 far 0 99 0 - 6.1-7.2 HA GLU 91 - HA SER 94 far 0 80 0 - 6.1-6.4 HB3 SER 99 - HA SER 94 far 0 90 0 - 9.5-10.5 HB3 SER 99 - HA SER 124 far 0 99 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 3963 from aliabs.peaks (4.01, 4.24, 61.34 ppm; 3.47 A): 2 out of 9 assignments used, quality = 1.00: * HB3 SER 124 + HA SER 124 OK 100 100 100 100 2.3-2.7 3.0=100 HB2 SER 124 + HA SER 124 OK 76 76 100 100 2.6-3.0 3.0=100 HA LYS 95 - HA SER 94 far 0 86 0 - 4.7-4.7 HA SER 50 - HA SER 124 far 0 90 0 - 6.1-7.2 HA LEU 122 - HA SER 124 far 0 65 0 - 6.7-6.9 HA LEU 122 - HA SER 94 far 0 56 0 - 8.6-9.6 HB3 SER 99 - HA SER 94 far 0 82 0 - 9.5-10.5 HA LEU 119 - HA SER 124 far 0 95 0 - 9.6-10.2 HB3 SER 99 - HA SER 124 far 0 92 0 - 9.9-10.8 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 2 assignments used, quality = 1.00: * H CYS 125 + HA SER 124 OK 100 100 100 100 3.5-3.5 3.6=100 H SER 130 - HA SER 124 far 0 99 0 - 8.0-8.9 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 2 assignments used, quality = 1.00: * H GLN 127 + HA SER 124 OK 100 100 100 100 3.9-4.2 7804=98, 7814/4049=78...(10) H LEU 122 - HA SER 124 far 0 97 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 3966 from aliabs.peaks (2.05, 4.24, 61.34 ppm; 4.90 A increased from 3.92 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 127 + HA SER 124 OK 100 100 100 100 3.8-4.7 4039=97, 1.8/4049=94...(10) QE MET 11 - HA SER 124 far 0 81 0 - 5.8-43.9 QE MET 11 - HA SER 94 far 0 70 0 - 6.2-33.0 HG2 ARG 90 - HA SER 94 far 0 59 0 - 7.4-8.3 HB3 GLU 91 - HA SER 94 far 0 80 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. Peak 3967 from aliabs.peaks (2.22, 4.24, 61.34 ppm; 3.86 A): 2 out of 8 assignments used, quality = 1.00: * HB3 GLN 127 + HA SER 124 OK 99 100 100 99 2.9-4.0 4049=81, 1.8/3966=48...(12) HG2 GLU 97 + HA SER 94 OK 71 73 100 98 2.3-3.7 11457=73, 1.8/11456=48...(14) HB3 GLU 97 - HA SER 94 far 0 93 0 - 4.5-4.9 HB3 GLU 128 - HA SER 124 far 0 98 0 - 5.1-6.1 HB3 LEU 96 - HA SER 94 far 0 73 0 - 5.5-5.7 HB3 LEU 96 - HA SER 124 far 0 83 0 - 8.3-9.4 HG2 GLU 91 - HA SER 94 far 0 86 0 - 8.4-10.0 HB2 GLN 101 - HA SER 94 far 0 78 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 3968 from aliabs.peaks (4.48, 3.99, 62.31 ppm; 4.26 A increased from 3.78 A): 1 out of 4 assignments used, quality = 0.94: * HA ASN 121 + HB2 SER 124 OK 94 100 100 94 3.7-4.6 3837=69, 7758/7769=52...(4) HB THR 54 - HA SER 50 far 0 62 0 - 5.3-7.4 HB THR 54 - HB3 SER 51 far 0 42 0 - 6.8-7.4 HA ASN 121 - HA SER 50 far 0 85 0 - 9.2-10.6 Violated in 2 structures by 0.02 A. Peak 3970 from aliabs.peaks (4.24, 3.99, 62.31 ppm; 3.38 A): 2 out of 12 assignments used, quality = 1.00: * HA SER 124 + HB2 SER 124 OK 100 100 100 100 2.6-3.0 3.0=100 HA SER 51 + HB3 SER 51 OK 35 35 100 100 2.4-2.7 2.9=100 HA LYS 19 - HA VAL 20 far 0 61 0 - 4.6-4.8 HA SER 51 - HA SER 50 far 0 51 0 - 4.7-4.8 HA LYS 31 - HA VAL 20 far 0 63 0 - 4.8-21.4 HA LEU 22 - HA VAL 20 far 0 76 0 - 5.7-6.5 HA SER 124 - HA SER 50 far 0 85 0 - 6.1-7.2 HA LYS 26 - HA VAL 20 far 0 69 0 - 7.4-12.6 HA GLN 27 - HA VAL 20 far 0 99 0 - 7.5-15.9 HA GLU 30 - HA VAL 20 far 0 61 0 - 9.0-22.5 HA ALA 28 - HA VAL 20 far 0 99 0 - 9.9-18.7 HA PHE 87 - HA VAL 20 far 0 63 0 - 9.9-35.0 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; 4.27 A increased from 3.79 A): 1 out of 4 assignments used, quality = 0.95: * HA ASN 121 + HB3 SER 124 OK 95 100 100 95 3.9-4.4 3837/1.8=59, 3838=56...(6) HB THR 54 - HA SER 50 far 0 42 0 - 5.3-7.4 HA ASN 121 - HA SER 50 far 0 61 0 - 9.2-10.6 HB THR 54 - HB3 SER 124 far 0 81 0 - 9.6-12.8 Violated in 2 structures by 0.01 A. Peak 3976 from aliabs.peaks (4.24, 4.01, 62.31 ppm; 3.16 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 124 + HB3 SER 124 OK 100 100 100 100 2.3-2.7 3.0=100 HA SER 51 - HA SER 50 far 0 34 0 - 4.7-4.8 HA SER 124 - HA SER 50 far 0 61 0 - 6.1-7.2 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): 4 out of 5 assignments used, quality = 1.00: * H CYS 125 + HB3 SER 124 OK 100 100 100 100 3.6-4.1 4.5=100 H LEU 48 + HA SER 50 OK 59 59 100 100 7.1-7.3 6590/2.9=97, 6640/3.6=40...(10) H ALA 52 + HA SER 50 OK 51 51 100 100 4.5-5.1 6645/2.9=84, 3.3/6657=83...(12) H CYS 125 + HA SER 50 OK 23 61 75 50 6.8-7.8 11728/10373=18...(5) H SER 130 - HA SER 50 far 0 59 0 - 8.8-9.5 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 2.9-2.9 2.9=100 H SER 130 - HA CYS 125 far 0 99 0 - 6.3-7.5 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 1 assignment used, quality = 1.00: * HB2 CYS 125 + HA CYS 125 OK 100 100 100 100 2.6-3.0 3.0=100 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 2 assignments used, quality = 1.00: * HB3 CYS 125 + HA CYS 125 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 HIS 8 - HA CYS 125 far 0 96 0 - 7.6-50.6 Violated in 0 structures by 0.00 A. Peak 3984 from aliabs.peaks (8.28, 4.36, 62.46 ppm; 4.61 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 126 + HA CYS 125 OK 100 100 100 100 3.6-3.6 3.6=100 H LEU 96 - HA CYS 125 far 10 100 10 - 5.2-5.8 H LEU 123 - HA CYS 125 far 0 96 0 - 6.6-6.9 H ASP 131 - HA CYS 125 far 0 99 0 - 7.6-8.3 H SER 99 - HA CYS 125 far 0 96 0 - 8.5-9.2 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 1 assignment used, quality = 1.00: * H GLU 128 + HA CYS 125 OK 100 100 100 100 3.4-3.7 7839=100, 3.6/3986=71...(21) 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 2.5-3.2 4087=78, 1.8/3987=60...(14) HB VAL 126 - HA CYS 125 far 0 63 0 - 5.7-5.8 HG3 GLU 91 - HA CYS 125 far 0 97 0 - 7.0-9.9 Violated in 0 structures by 0.00 A. Peak 3987 from aliabs.peaks (2.23, 4.36, 62.46 ppm; 4.34 A increased from 3.86 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 128 + HA CYS 125 OK 100 100 100 100 4.1-4.6 4095=90, 1.8/3986=90...(17) HB3 LEU 96 + HA CYS 125 OK 39 97 40 100 4.5-5.5 11655/3.0=56...(40) HB3 GLN 127 - HA CYS 125 far 0 98 0 - 5.3-6.6 HG2 GLU 91 - HA CYS 125 far 0 81 0 - 7.7-10.1 HG2 GLU 97 - HA CYS 125 far 0 97 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 3988 from aliabs.peaks (4.04, 2.73, 26.80 ppm; 3.78 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 122 + HB2 CYS 125 OK 95 100 100 95 2.2-3.6 3994/1.8=38, 3864=23...(20) HA LEU 96 + HB2 CYS 125 OK 92 93 100 99 2.4-3.4 3.0/11655=43...(25) HA ALA 92 - HB2 CYS 125 far 0 92 0 - 5.1-5.8 HB3 SER 124 - HB2 CYS 125 far 0 65 0 - 5.3-7.0 HA LYS 95 - HB2 CYS 125 far 0 92 0 - 5.4-6.7 HA LEU 119 - HB2 CYS 125 far 0 93 0 - 8.5-10.1 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 2.6-3.0 3.0=100 HA CYS 73 - HB2 CYS 125 far 0 81 0 - 9.2-12.1 HA LEU 69 - HB2 CYS 125 far 0 99 0 - 9.3-11.0 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 7 assignments used, quality = 1.00: * H VAL 126 + HB2 CYS 125 OK 100 100 100 100 2.4-3.2 4.7=82, 7795/1.8=71...(21) H LEU 96 + HB2 CYS 125 OK 99 100 100 99 2.9-4.6 3.8/11655=50...(17) H LEU 123 + HB2 CYS 125 OK 49 96 60 85 4.6-6.4 7776/7783=45...(8) H SER 99 - HB2 CYS 125 far 0 96 0 - 6.1-6.9 H ASP 131 - HB2 CYS 125 far 0 99 0 - 8.9-10.5 H LEU 69 - HB2 CYS 125 far 0 85 0 - 9.5-11.0 H LEU 49 - HB2 CYS 125 far 0 81 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 3994 from aliabs.peaks (4.04, 3.20, 26.80 ppm; 3.77 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 122 + HB3 CYS 125 OK 95 100 100 95 2.2-3.8 3988/1.8=37, 3865=28...(18) HA LEU 96 + HB3 CYS 125 OK 92 93 100 99 2.6-3.5 4.0/9987=39...(21) HA ALA 92 - HB3 CYS 125 far 14 92 15 - 4.3-6.7 HB3 SER 124 - HB3 CYS 125 far 0 65 0 - 5.4-7.3 HA LYS 95 - HB3 CYS 125 far 0 92 0 - 5.8-6.6 HA LEU 119 - HB3 CYS 125 far 0 93 0 - 8.2-10.3 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 2.1-3.6 3.9=100 H SER 130 - HB3 CYS 125 far 0 99 0 - 6.9-8.8 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 2.6-3.0 3.0=100 HA CYS 73 - HB3 CYS 125 far 0 81 0 - 9.3-12.1 HA LEU 69 - HB3 CYS 125 far 0 99 0 - 9.4-10.6 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 - 8.4-10.1 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): 2 out of 7 assignments used, quality = 1.00: * H VAL 126 + HB3 CYS 125 OK 100 100 100 100 2.4-3.1 7795=73, 7792/7784=60...(19) H LEU 96 + HB3 CYS 125 OK 99 100 100 99 3.0-4.4 3.8/11659=41...(23) H LEU 123 - HB3 CYS 125 far 10 96 10 - 4.7-6.5 H SER 99 - HB3 CYS 125 far 0 96 0 - 6.1-7.2 H ASP 131 - HB3 CYS 125 far 0 99 0 - 8.9-10.4 H LEU 69 - HB3 CYS 125 far 0 85 0 - 9.6-10.4 H LEU 49 - HB3 CYS 125 far 0 81 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 4000 from aliabs.peaks (8.28, 3.43, 67.09 ppm; 4.47 A): 1 out of 8 assignments used, quality = 1.00: * H VAL 126 + HA VAL 126 OK 100 100 100 100 2.8-2.8 2.9=100 H LEU 96 - HA VAL 126 far 0 100 0 - 6.0-6.7 H ASP 131 - HA VAL 126 far 0 99 0 - 6.4-7.0 H LEU 123 - HA VAL 126 far 0 96 0 - 6.9-7.2 H LEU 49 - HA VAL 126 far 0 81 0 - 7.2-7.5 H LEU 69 - HA VAL 126 far 0 85 0 - 7.4-7.9 H SER 99 - HA VAL 126 far 0 96 0 - 9.4-10.2 H LEU 43 - HA VAL 126 far 0 99 0 - 9.8-10.2 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 3.0-3.0 3.0=100 HB2 GLU 128 - HA VAL 126 far 0 63 0 - 5.0-5.7 HB2 GLU 97 - HA VAL 126 far 0 71 0 - 8.8-10.8 HG3 GLU 91 - HA VAL 126 far 0 89 0 - 9.2-12.6 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 3 assignments used, quality = 1.00: * QG1 VAL 126 + HA VAL 126 OK 100 100 100 100 2.4-2.5 3.2=100 QG2 VAL 126 + HA VAL 126 OK 99 99 100 100 2.1-2.3 3.2=100 QD2 LEU 53 - HA VAL 126 far 0 97 0 - 7.5-9.4 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 3 assignments used, quality = 1.00: * QG2 VAL 126 + HA VAL 126 OK 100 100 100 100 2.1-2.3 3.2=100 QG1 VAL 126 + HA VAL 126 OK 99 99 100 100 2.4-2.5 3.2=100 QD2 LEU 53 - HA VAL 126 far 0 100 0 - 7.5-9.4 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 - 7.8-8.4 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 3 assignments used, quality = 1.00: * H ILE 129 + HA VAL 126 OK 100 100 100 100 3.2-3.7 7873/10402=65, 7859=61...(19) H SER 94 - HA VAL 126 far 0 97 0 - 8.4-8.9 H SER 51 - HA VAL 126 far 0 89 0 - 9.0-9.8 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 3.0-3.9 3.2/10402=67...(24) QE MET 11 - HA VAL 126 far 0 71 0 - 8.1-39.0 HB3 LEU 53 - HA VAL 126 far 0 98 0 - 9.0-11.4 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 = 0.99: * HA LEU 123 + HB VAL 126 OK 99 100 100 99 2.7-3.0 3917=81, 3916/7797=42...(15) HB2 SER 50 + HB VAL 126 OK 35 65 65 82 4.2-5.9 3.0/11668=43...(11) HB3 SER 50 - HB VAL 126 far 0 63 0 - 4.8-6.4 HA LEU 62 - HB VAL 126 far 0 90 0 - 8.3-9.1 HA LEU 70 - HB VAL 126 far 0 57 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 4009 from aliabs.peaks (8.28, 2.11, 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 2.3-2.5 3.7=100 H LEU 123 + HB VAL 126 OK 36 96 40 93 4.5-5.0 2.9/3917=53, ~10393=20...(18) H LEU 49 - HB VAL 126 far 0 81 0 - 5.2-5.7 H LEU 69 - HB VAL 126 far 0 85 0 - 7.5-8.3 H LEU 96 - HB VAL 126 far 0 100 0 - 7.6-8.1 H ASP 131 - HB VAL 126 far 0 99 0 - 8.1-8.6 H SER 99 - HB VAL 126 far 0 96 0 - 9.5-10.2 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 2 assignments used, quality = 1.00: * HA VAL 126 + HB VAL 126 OK 100 100 100 100 3.0-3.0 3.0=100 HA ILE 129 - HB VAL 126 far 0 85 0 - 7.9-8.4 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 3 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 QD2 LEU 53 - HB VAL 126 far 0 97 0 - 5.1-7.1 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 3 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 QD2 LEU 53 - HB VAL 126 far 0 100 0 - 5.1-7.1 Violated in 0 structures by 0.00 A. Peak 4014 from aliabs.peaks (8.20, 2.11, 31.38 ppm; 5.28 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + HB VAL 126 OK 100 100 100 100 2.5-2.9 4.6=100 H LEU 122 - HB VAL 126 far 0 97 0 - 6.2-6.9 Violated in 0 structures by 0.00 A. Peak 4015 from aliabs.peaks (8.28, 0.96, 22.63 ppm; 3.58 A): 2 out of 8 assignments used, quality = 1.00: * H VAL 126 + QG1 VAL 126 OK 99 100 100 99 3.7-3.8 4021/2.1=75, 4.0=73...(14) H LEU 49 + QG1 VAL 126 OK 67 81 100 83 3.3-3.7 3.2/11785=47...(9) H LEU 69 - QG1 VAL 126 far 0 85 0 - 5.1-5.8 H LEU 123 - QG1 VAL 126 far 0 96 0 - 5.6-6.1 H ASP 131 - QG1 VAL 126 far 0 99 0 - 5.9-6.4 H LEU 96 - QG1 VAL 126 far 0 100 0 - 7.3-7.8 H LEU 43 - QG1 VAL 126 far 0 99 0 - 7.3-7.8 H SER 99 - QG1 VAL 126 far 0 96 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 4016 from aliabs.peaks (3.43, 0.96, 22.63 ppm; 3.32 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 126 + QG1 VAL 126 OK 100 100 100 100 2.4-2.5 3.2=100 HA ILE 129 - QG1 VAL 126 far 0 85 0 - 5.8-6.6 HB3 HIS 67 - QG1 VAL 126 far 0 63 0 - 8.8-9.7 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 3 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 - 6.0-6.4 HB2 GLU 97 - QG1 VAL 126 far 0 71 0 - 8.5-10.6 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): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + QG1 VAL 126 OK 100 100 100 100 3.1-3.5 4.3=100 H LEU 122 - QG1 VAL 126 far 0 97 0 - 7.0-7.6 Violated in 0 structures by 0.00 A. Peak 4021 from aliabs.peaks (8.28, 0.96, 24.06 ppm; 3.28 A): 1 out of 8 assignments used, quality = 0.99: * H VAL 126 + QG2 VAL 126 OK 99 100 100 99 2.2-2.6 4.0=57, 7797/2.1=56...(20) H LEU 123 - QG2 VAL 126 far 0 96 0 - 4.2-4.7 H LEU 69 - QG2 VAL 126 far 0 85 0 - 4.5-5.1 H LEU 49 - QG2 VAL 126 far 0 81 0 - 4.7-4.9 H LEU 96 - QG2 VAL 126 far 0 100 0 - 5.0-5.5 H SER 99 - QG2 VAL 126 far 0 96 0 - 6.7-7.3 H ASP 131 - QG2 VAL 126 far 0 99 0 - 7.6-8.1 H LEU 43 - QG2 VAL 126 far 0 99 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 4022 from aliabs.peaks (3.43, 0.96, 24.06 ppm; 3.32 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 126 + QG2 VAL 126 OK 100 100 100 100 2.1-2.3 3.2=100 HA ILE 129 - QG2 VAL 126 far 0 85 0 - 6.4-7.0 HB3 HIS 67 - QG2 VAL 126 far 0 63 0 - 7.5-8.5 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 5 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 63 0 - 6.1-6.6 HB2 GLU 97 - QG2 VAL 126 far 0 71 0 - 6.3-8.3 HG3 GLU 91 - QG2 VAL 126 far 0 89 0 - 9.4-12.1 HB2 GLU 102 - QG2 VAL 126 far 0 65 0 - 9.9-12.0 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): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + QG2 VAL 126 OK 100 100 100 100 3.9-4.1 4.4=96, 7809/2.1=85...(22) H LEU 122 - QG2 VAL 126 far 5 97 5 - 4.8-5.4 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 - 9.9-10.5 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 2.3-2.8 3.0=100 HB3 GLU 91 + HA GLU 91 OK 74 74 100 100 2.3-2.4 3.0=100 HG2 ARG 90 - HA GLU 91 far 0 53 0 - 6.4-6.6 QE MET 11 - HA GLU 91 far 0 64 0 - 6.8-36.1 HG3 GLN 134 - HA GLN 127 far 0 63 0 - 7.8-10.0 QE MET 11 - HA GLN 127 far 0 81 0 - 8.9-42.8 HB2 GLN 134 - HA GLN 127 far 0 63 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 4030 from aliabs.peaks (2.22, 3.97, 58.71 ppm; 3.48 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLN 127 + HA GLN 127 OK 100 100 100 100 2.5-2.9 3.0=100 HG2 GLU 91 - HA GLU 91 poor 20 80 25 - 2.7-4.2 HB3 GLU 128 - HA GLN 127 far 0 98 0 - 6.1-6.5 HG2 GLU 97 - HA GLU 91 far 0 66 0 - 8.2-9.2 HB3 LEU 96 - HA GLU 91 far 0 66 0 - 8.2-8.7 HB3 LEU 96 - HA GLN 127 far 0 83 0 - 8.7-9.3 HB3 GLU 128 - HA GLU 91 far 0 83 0 - 9.8-10.6 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 5 assignments used, quality = 1.00: * HG2 GLN 127 + HA GLN 127 OK 100 100 100 100 2.0-3.6 3.8=100 HG2 GLU 128 - HA GLN 127 far 0 100 0 - 6.9-7.7 HG2 GLU 128 - HA GLU 91 far 0 87 0 - 7.4-8.8 HB3 GLN 134 - HA GLN 127 far 0 93 0 - 8.9-11.0 HB VAL 77 - HA GLU 91 far 0 87 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 4032 from aliabs.peaks (2.48, 3.97, 58.71 ppm; 4.27 A increased from 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 127 + HA GLN 127 OK 100 100 100 100 3.2-4.1 3.8=100 HG3 MET 11 - HA GLU 91 far 0 44 0 - 7.4-41.2 Violated in 0 structures by 0.00 A. Peak 4035 from aliabs.peaks (7.88, 3.97, 58.71 ppm; 5.92 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + HA GLN 127 OK 100 100 100 100 3.4-3.5 3.6=100 H ALA 88 - HA GLU 91 far 0 64 0 - 6.9-7.3 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 3.8-4.1 7878=100, 3.9/4181=66...(10) H CYS 125 - HA GLN 127 far 0 99 0 - 6.5-6.7 H LEU 48 - HA GLN 127 far 0 95 0 - 7.0-8.1 H ALA 52 - HA GLN 127 far 0 98 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 4037 from aliabs.peaks (3.82, 3.97, 58.71 ppm; 4.01 A): 2 out of 5 assignments used, quality = 0.91: HB2 SER 50 + HA GLN 127 OK 87 100 95 92 2.9-4.6 4175=48, 1.8/2858=22...(15) * HB2 SER 130 + HA GLN 127 OK 28 100 30 94 3.1-5.5 1.8/4181=78...(8) HA ARG 90 - HA GLU 91 far 0 64 0 - 4.8-4.9 HB2 SER 9 - HA GLU 91 far 0 85 0 - 5.3-46.3 HB3 SER 9 - HA GLU 91 far 0 66 0 - 5.5-45.4 Violated in 1 structures by 0.01 A. Peak 4038 from aliabs.peaks (3.77, 3.97, 58.71 ppm; 4.13 A): 1 out of 5 assignments used, quality = 1.00: * HB3 SER 130 + HA GLN 127 OK 100 100 100 100 3.3-3.9 4181=100, 3.9/4036=46...(7) HA ARG 90 - HA GLU 91 far 0 51 0 - 4.8-4.9 HB3 SER 9 - HA GLU 91 far 0 49 0 - 5.5-45.4 HA SER 130 - HA GLN 127 far 0 100 0 - 5.7-6.3 HA LEU 43 - HA GLN 127 far 0 100 0 - 6.8-7.5 Violated in 0 structures by 0.00 A. Peak 4039 from aliabs.peaks (4.24, 2.05, 27.71 ppm; 4.81 A increased from 4.05 A): 2 out of 3 assignments used, quality = 1.00: * HA SER 124 + HB2 GLN 127 OK 100 100 100 100 3.8-4.7 3966=94, 4049/1.8=93...(10) HB THR 115 + HG3 PRO 113 OK 39 42 100 94 2.4-4.8 10189=43, ~11558=40...(9) HA SER 51 - HB2 GLN 127 far 0 68 0 - 7.7-10.4 Violated in 0 structures by 0.00 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 3.3-3.6 4.0=100 H LEU 122 - HB2 GLN 127 far 0 97 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 4041 from aliabs.peaks (3.97, 2.05, 27.71 ppm; 4.01 A): 1 out of 9 assignments used, quality = 1.00: * HA GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.3-2.8 3.0=100 HA SER 50 - HB2 GLN 127 far 0 63 0 - 4.8-6.5 HA3 GLY 111 - HG3 PRO 58 far 0 50 0 - 5.3-6.2 HB2 SER 124 - HB2 GLN 127 far 0 81 0 - 6.3-7.5 HB3 SER 51 - HB2 GLN 127 far 0 95 0 - 8.0-11.8 HA3 GLY 111 - HG3 PRO 113 far 0 55 0 - 8.4-8.9 HB3 SER 107 - HG3 PRO 58 far 0 71 0 - 8.8-12.0 HB2 SER 51 - HB2 GLN 127 far 0 68 0 - 9.2-11.9 HD3 PRO 117 - HG3 PRO 113 far 0 68 0 - 9.8-12.0 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): 1 out of 3 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 far 0 98 0 - 4.9-6.4 HB3 LEU 96 - HB2 GLN 127 far 0 83 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 4044 from aliabs.peaks (2.34, 2.05, 27.71 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.3-2.8 3.0=100 HG2 GLU 128 - HB2 GLN 127 far 0 100 0 - 6.7-8.1 HB3 GLN 134 - HB2 GLN 127 far 0 93 0 - 9.7-11.9 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 1 assignment used, quality = 1.00: * HG3 GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.7-2.9 3.0=100 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 3.2-4.2 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 4 assignments used, quality = 0.98: * HA SER 124 + HB3 GLN 127 OK 98 100 100 98 2.9-4.0 3967=61, 3966/1.8=57...(12) HA SER 99 - HB2 GLN 101 far 0 51 0 - 6.6-7.5 HA SER 51 - HB3 GLN 127 far 0 68 0 - 7.3-9.8 HA SER 94 - HB2 GLN 101 far 0 67 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 4050 from aliabs.peaks (8.20, 2.22, 27.71 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + HB3 GLN 127 OK 100 100 100 100 2.1-2.5 4.0=100 H LEU 122 - HB3 GLN 127 far 0 97 0 - 8.3-8.7 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 10 assignments used, quality = 1.00: * HA GLN 127 + HB3 GLN 127 OK 100 100 100 100 2.5-2.9 3.0=100 HA SER 50 + HB3 GLN 127 OK 23 63 40 91 3.5-5.5 11874/11674=21, ~4037=16...(24) HB2 SER 124 - HB3 GLN 127 far 0 81 0 - 5.5-6.7 HA LEU 100 - HB2 GLN 101 far 0 67 0 - 6.3-6.6 HB3 SER 51 - HB3 GLN 127 far 0 95 0 - 7.7-11.1 HB3 SER 99 - HB2 GLN 101 far 0 34 0 - 8.5-9.4 HB2 SER 51 - HB3 GLN 127 far 0 68 0 - 8.6-11.2 HB2 SER 106 - HB2 GLN 101 far 0 68 0 - 8.9-10.7 HB3 SER 106 - HB2 GLN 101 far 0 62 0 - 9.4-10.8 HB3 SER 107 - HB2 GLN 101 far 0 64 0 - 9.4-12.0 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 QE MET 11 - HB3 GLN 127 far 0 81 0 - 7.5-43.7 HB VAL 118 - HB2 GLN 101 far 0 54 0 - 9.7-11.3 QE MET 11 - HB2 GLN 101 far 0 48 0 - 9.8-30.4 HB VAL 63 - HB2 GLN 101 far 0 37 0 - 9.9-10.9 HG3 GLN 134 - HB3 GLN 127 far 0 63 0 - 9.9-12.6 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): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 127 + HB3 GLN 127 OK 100 100 100 100 2.8-2.9 3.0=100 HG2 GLU 102 - HB2 GLN 101 far 0 57 0 - 5.5-8.4 HG2 GLU 128 - HB3 GLN 127 far 0 100 0 - 6.8-8.3 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 2.2-2.3 3.0=100 HG3 GLU 102 - HB2 GLN 101 far 2 35 5 - 4.3-8.0 HG3 GLN 104 - HB2 GLN 101 far 0 66 0 - 4.7-6.1 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 2 assignments used, quality = 1.00: * HE21 GLN 127 + HB3 GLN 127 OK 100 100 100 100 4.1-4.9 4.5=100 HE21 GLN 101 + HB2 GLN 101 OK 35 35 100 100 4.1-4.6 4.5=100 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 2 assignments used, quality = 1.00: * H GLU 128 + HB3 GLN 127 OK 100 100 100 100 3.2-4.0 4.7=100 H GLU 102 + HB2 GLN 101 OK 48 48 100 100 3.8-4.4 4.7=100 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 2 assignments used, quality = 1.00: * H GLN 127 + HG2 GLN 127 OK 100 100 100 100 2.7-4.4 7815=100, 4068/1.8=88...(20) H LEU 122 - HG2 GLN 127 far 0 97 0 - 8.8-10.9 Violated in 1 structures by 0.01 A. Peak 4060 from aliabs.peaks (3.97, 2.34, 33.53 ppm; 3.64 A increased from 3.23 A): 1 out of 9 assignments used, quality = 1.00: * HA GLN 127 + HG2 GLN 127 OK 100 100 100 100 2.0-3.6 3.8=91, 3.0/4062=68...(16) HA SER 50 - HG2 GLN 127 poor 16 63 25 - 3.8-6.6 HA VAL 20 - HG3 GLN 27 far 0 71 0 - 4.8-16.0 HB2 SER 124 - HG2 GLN 127 far 0 81 0 - 4.8-8.7 HA VAL 20 - HG2 GLN 27 far 0 72 0 - 5.6-17.0 HB3 SER 51 - HG2 GLN 127 far 0 95 0 - 7.3-10.9 HB2 SER 51 - HG2 GLN 127 far 0 68 0 - 7.8-11.8 HA2 GLY 17 - HG3 GLN 27 far 0 82 0 - 9.5-23.7 HA3 GLY 17 - HG3 GLN 27 far 0 90 0 - 9.9-22.9 Violated in 0 structures by 0.00 A. Peak 4061 from aliabs.peaks (2.05, 2.34, 33.53 ppm; 3.21 A): 3 out of 7 assignments used, quality = 1.00: * HB2 GLN 127 + HG2 GLN 127 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 GLN 27 + HG2 GLN 27 OK 86 86 100 100 2.4-3.0 3.0=100 HB3 GLN 27 + HG3 GLN 27 OK 85 85 100 100 2.2-3.0 3.0=100 QE MET 11 - HG2 GLN 27 far 0 74 0 - 7.4-32.5 QE MET 11 - HG3 GLN 27 far 0 74 0 - 8.8-32.6 HG3 GLN 134 - HG2 GLN 127 far 0 63 0 - 9.0-11.0 QE MET 11 - HG2 GLN 127 far 0 81 0 - 9.7-43.4 Violated in 0 structures by 0.00 A. Peak 4062 from aliabs.peaks (2.22, 2.34, 33.53 ppm; 2.91 A increased from 2.74 A): 1 out of 3 assignments used, quality = 0.97: * HB3 GLN 127 + HG2 GLN 127 OK 97 100 100 97 2.8-2.9 3.0=90, 3.0/4060=35...(6) HB3 GLU 128 - HG2 GLN 127 far 0 98 0 - 3.6-7.9 HB3 LEU 96 - HG2 GLN 127 far 0 83 0 - 8.3-11.4 Violated in 1 structures by 0.00 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 5 assignments used, quality = 1.00: * HG3 GLN 127 + HG2 GLN 127 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASP 78 - HG3 GLN 27 far 0 85 0 - 8.5-17.7 HG3 MET 11 - HG2 GLN 27 far 0 52 0 - 8.7-37.8 HB2 ASP 78 - HG2 GLN 27 far 0 86 0 - 9.1-16.4 HG3 MET 11 - HG3 GLN 27 far 0 51 0 - 9.9-38.1 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 1 assignment used, quality = 1.00: * H GLU 128 + HG2 GLN 127 OK 100 100 100 100 2.1-5.3 4076/1.8=100...(22) 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 2.9-3.8 7816=100, 4059/1.8=83...(22) H LEU 122 - HG3 GLN 127 far 0 97 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 4069 from aliabs.peaks (3.97, 2.48, 33.53 ppm; 4.25 A increased from 3.57 A): 3 out of 5 assignments used, quality = 1.00: * HA GLN 127 + HG3 GLN 127 OK 100 100 100 100 3.2-4.1 3.8=100 HA SER 50 + HG3 GLN 127 OK 35 63 60 92 2.9-5.4 11874/10437=51...(13) HB2 SER 124 + HG3 GLN 127 OK 31 81 40 97 4.4-7.6 3.0/11607=49, ~4049=29...(17) HB3 SER 51 - HG3 GLN 127 far 0 95 0 - 7.5-10.3 HB2 SER 51 - HG3 GLN 127 far 0 68 0 - 7.9-11.1 Violated in 0 structures by 0.00 A. Peak 4070 from aliabs.peaks (2.05, 2.48, 33.53 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 127 + HG3 GLN 127 OK 100 100 100 100 2.7-2.9 3.0=100 QE MET 11 - HG3 GLN 127 far 0 81 0 - 9.3-44.0 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 3 assignments used, quality = 1.00: * HB3 GLN 127 + HG3 GLN 127 OK 100 100 100 100 2.2-2.3 3.0=100 HB3 GLU 128 - HG3 GLN 127 far 0 98 0 - 5.1-8.1 HB3 LEU 96 - HG3 GLN 127 far 0 83 0 - 8.9-10.8 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 2 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 - 6.8-9.5 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 1 assignment used, quality = 1.00: * HE21 GLN 127 + HG3 GLN 127 OK 100 100 100 100 3.4-3.7 3.5=100 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 3.6-5.3 3.2/4068=89, 4048/3.0=85...(20) Violated in 3 structures by 0.00 A. Peak 4077 from aliabs.peaks (7.88, 4.19, 59.09 ppm; 4.39 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 128 + HA GLU 128 OK 100 100 100 100 2.9-2.9 2.9=100 H GLN 68 + HA HIS 67 OK 38 38 100 100 3.6-3.6 3.6=100 H GLU 102 - HA HIS 67 far 0 31 0 - 9.2-9.9 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 6 assignments used, quality = 1.00: * HB2 GLU 128 + HA GLU 128 OK 100 100 100 100 2.7-3.0 3.0=100 HG3 GLN 134 - HA GLU 128 far 0 100 0 - 7.0-10.0 HB VAL 126 - HA GLU 128 far 0 63 0 - 7.5-7.7 HG3 GLU 91 - HA GLU 128 far 0 97 0 - 8.1-11.0 HB2 LEU 62 - HA HIS 67 far 0 29 0 - 9.6-10.2 HB VAL 126 - HA HIS 67 far 0 23 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 4080 from aliabs.peaks (2.23, 4.19, 59.09 ppm; 3.58 A): 1 out of 11 assignments used, quality = 1.00: * HB3 GLU 128 + HA GLU 128 OK 100 100 100 100 2.2-2.3 3.0=100 HB3 GLN 127 - HA GLU 128 far 0 98 0 - 5.0-5.7 HG2 GLN 68 - HA HIS 67 far 0 37 0 - 5.3-7.0 HB2 GLN 68 - HA HIS 67 far 0 40 0 - 5.6-6.6 HB3 GLU 97 - HA HIS 67 far 0 41 0 - 5.6-7.0 HG2 GLU 97 - HA HIS 67 far 0 41 0 - 6.9-8.0 HB3 GLN 104 - HA HIS 67 far 0 44 0 - 7.6-8.6 HB2 GLN 101 - HA HIS 67 far 0 25 0 - 8.2-9.8 HB3 LEU 96 - HA HIS 67 far 0 41 0 - 8.3-8.8 HG2 GLU 91 - HA GLU 128 far 0 81 0 - 8.5-11.8 HB3 LEU 96 - HA GLU 128 far 0 97 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 4081 from aliabs.peaks (2.34, 4.19, 59.09 ppm; 4.07 A increased from 3.83 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 128 + HA GLU 128 OK 100 100 100 100 3.0-4.1 3.9=100 HG2 GLN 127 + HA GLU 128 OK 39 100 40 97 3.3-6.2 4060/4.9=41, ~4076=30...(17) HG3 GLN 68 - HA HIS 67 far 0 30 0 - 5.6-6.9 HB3 GLN 134 - HA GLU 128 far 0 96 0 - 7.8-10.2 Violated in 0 structures by 0.00 A. Peak 4082 from aliabs.peaks (2.42, 4.19, 59.09 ppm; 3.79 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 128 + HA GLU 128 OK 100 100 100 100 3.0-3.7 4111=100, 7854/2.9=49...(18) HG2 GLN 101 - HA HIS 67 far 0 45 0 - 7.4-11.2 HG3 GLU 97 - HA HIS 67 far 0 31 0 - 8.1-8.6 HG2 MET 11 - HA GLU 128 far 0 76 0 - 9.1-49.5 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 1 assignment used, quality = 1.00: * H ILE 129 + HA GLU 128 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 4084 from aliabs.peaks (8.27, 4.19, 59.09 ppm; 5.59 A): 2 out of 7 assignments used, quality = 1.00: * H ASP 131 + HA GLU 128 OK 100 100 100 100 3.3-3.5 7904/4086=94...(12) H LEU 69 + HA HIS 67 OK 25 25 100 99 4.3-4.4 3.6/6936=71, 6893/3.6=61...(12) H VAL 126 - HA GLU 128 far 0 99 0 - 6.8-7.0 H SER 99 - HA HIS 67 far 0 34 0 - 8.9-9.9 H LEU 96 - HA HIS 67 far 0 46 0 - 9.4-9.8 H LEU 49 - HA HIS 67 far 0 23 0 - 9.8-10.3 H LEU 96 - HA GLU 128 far 0 100 0 - 9.9-10.5 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 2.5-3.2 4195=100, 1.8/4086=78...(13) HB2 CYS 73 - HA HIS 67 far 0 22 0 - 7.3-7.9 HB2 ASP 64 - HA HIS 67 far 0 37 0 - 8.0-8.3 HB3 ASN 13 - HA HIS 67 far 0 46 0 - 9.1-35.7 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 3 assignments used, quality = 1.00: * HB3 ASP 131 + HA GLU 128 OK 100 100 100 100 3.2-3.8 4201=91, 1.8/4195=71...(14) HE2 LYS 95 - HA GLU 128 far 0 98 0 - 9.2-12.6 HE3 LYS 95 - HA GLU 128 far 0 99 0 - 9.7-12.0 Violated in 2 structures by 0.01 A. Peak 4087 from aliabs.peaks (4.36, 2.08, 28.58 ppm; 4.11 A): 1 out of 10 assignments used, quality = 1.00: * HA CYS 125 + HB2 GLU 128 OK 100 100 100 100 2.5-3.2 3986=100, 3987/1.8=71...(14) HA PRO 81 - HB3 GLN 82 poor 14 34 40 - 4.6-6.0 HA ASN 59 - HB2 GLN 61 far 0 47 0 - 6.3-6.8 HA SER 9 - HB2 GLU 128 far 0 73 0 - 6.8-49.1 HA GLN 134 - HB3 GLN 82 far 0 68 0 - 6.9-10.8 HA ASP 47 - HB3 GLU 44 far 0 56 0 - 7.9-8.2 HA LEU 69 - HB3 GLU 44 far 0 71 0 - 8.0-9.8 HA PRO 117 - HB2 GLU 102 far 0 98 0 - 8.5-11.7 HA ASP 47 - HB2 GLU 128 far 0 85 0 - 9.8-10.7 HA PRO 113 - HB2 GLN 61 far 0 65 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 4088 from aliabs.peaks (7.88, 2.08, 28.58 ppm; 5.03 A): 3 out of 5 assignments used, quality = 1.00: * H GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.1-2.3 3.6=100 H GLU 102 + HB2 GLU 102 OK 80 80 100 100 2.6-3.4 3.8=100 H ALA 41 + HB3 GLU 44 OK 52 65 80 100 5.2-6.0 2.9/1281=82, ~9064=41...(17) H ALA 88 - HB3 GLN 82 far 0 48 0 - 8.5-9.9 H ALA 88 - HB2 GLU 128 far 0 81 0 - 9.9-11.3 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 5 assignments used, quality = 1.00: * HA GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.7-3.0 3.0=100 HA VAL 105 - HB2 GLU 102 far 0 91 0 - 7.6-8.3 HA ALA 88 - HB2 GLU 128 far 0 95 0 - 7.9-9.6 HB3 SER 38 - HB3 GLU 44 far 0 49 0 - 8.2-10.2 HA LEU 53 - HB2 GLN 61 far 0 61 0 - 9.0-10.2 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 13 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 0 98 0 - 4.8-5.9 HB2 GLN 101 - HB2 GLU 102 far 0 68 0 - 5.1-6.5 HB2 PRO 81 - HB3 GLN 82 far 0 40 0 - 5.2-6.0 HB3 LEU 96 - HB2 GLU 128 far 0 97 0 - 6.4-7.4 HG2 GLN 68 - HB3 GLU 44 far 0 61 0 - 6.8-9.8 HG2 GLU 91 - HB2 GLU 128 far 0 81 0 - 7.0-10.4 HB2 GLN 68 - HB3 GLU 44 far 0 65 0 - 7.9-11.0 HB3 GLN 104 - HB2 GLU 102 far 0 98 0 - 8.3-9.4 HB3 GLU 97 - HB2 GLU 102 far 0 95 0 - 8.6-10.4 HB3 GLN 104 - HB2 GLN 61 far 0 66 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 4092 from aliabs.peaks (2.34, 2.08, 28.58 ppm; 3.97 A): 4 out of 7 assignments used, quality = 1.00: * HG2 GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 102 + HB2 GLU 102 OK 94 94 100 100 2.2-2.6 3.0=100 HG2 GLU 44 + HB3 GLU 44 OK 45 45 100 100 2.2-2.9 3.0=100 HG2 GLN 127 + HB2 GLU 128 OK 25 100 40 62 3.0-7.2 7846/3.6=24, 4081/3.0=16...(9) HG3 GLN 68 - HB3 GLU 44 far 0 51 0 - 7.0-8.7 HB2 PRO 117 - HB2 GLU 102 far 0 88 0 - 8.6-11.5 HB3 GLN 134 - HB3 GLN 82 far 0 61 0 - 9.1-12.5 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 2.3-3.0 3.0=100 HG2 GLN 82 + HB3 GLN 82 OK 64 64 100 100 2.6-3.0 2.9=100 HG3 GLN 82 + HB3 GLN 82 OK 60 60 100 100 2.6-3.0 2.9=100 HG3 GLN 61 + HB2 GLN 61 OK 58 58 100 100 2.7-3.0 3.0=100 HG2 GLN 101 + HB2 GLU 102 OK 49 99 75 66 3.2-6.2 7450/7455=38...(9) HG3 GLU 40 - HB3 GLU 44 far 4 39 10 - 3.4-8.2 HB3 PRO 58 - HB2 GLN 61 far 0 61 0 - 4.9-5.7 HG2 MET 11 - HB2 GLU 128 far 0 76 0 - 7.7-48.5 HG2 GLU 55 - HB2 GLN 61 far 0 38 0 - 8.9-11.4 HG3 GLU 97 - HB2 GLU 102 far 0 80 0 - 9.1-11.0 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 4 assignments used, quality = 1.00: * H ILE 129 + HB2 GLU 128 OK 100 100 100 100 2.8-3.6 4.5=100 H VAL 57 - HB2 GLN 61 far 0 69 0 - 7.1-7.9 H SER 94 - HB2 GLU 128 far 0 97 0 - 8.6-9.9 H ALA 52 - HB2 GLN 61 far 0 45 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 4095 from aliabs.peaks (4.36, 2.23, 28.58 ppm; 4.49 A increased from 4.22 A): 1 out of 8 assignments used, quality = 1.00: * HA CYS 125 + HB3 GLU 128 OK 100 100 100 100 4.1-4.6 3987=100, 3986/1.8=93...(17) HA LEU 69 - HB2 GLN 68 far 2 50 5 - 4.6-5.5 HA SER 9 - HB3 GLU 128 far 0 73 0 - 5.1-50.0 HA LYS 24 - HB3 GLU 97 far 0 49 0 - 8.2-30.9 HA PRO 117 - HB3 GLU 102 far 0 98 0 - 8.8-10.7 HA LEU 69 - HB3 GLU 97 far 0 82 0 - 8.9-10.5 HA CYS 73 - HB3 GLU 97 far 0 62 0 - 9.2-11.0 HA CYS 73 - HB2 GLN 68 far 0 36 0 - 9.6-10.8 Violated in 2 structures by 0.01 A. Peak 4096 from aliabs.peaks (7.88, 2.23, 28.58 ppm; 5.17 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 128 + HB3 GLU 128 OK 100 100 100 100 3.1-3.6 3.6=100 H GLU 102 + HB3 GLU 102 OK 79 79 100 100 2.1-3.7 3.8=100 H GLN 68 + HB2 GLN 68 OK 43 43 100 100 2.1-3.6 3.7=100 H GLU 102 - HB3 GLU 97 far 0 62 0 - 6.9-8.3 H GLN 68 - HB3 GLU 97 far 0 73 0 - 8.9-10.4 H ALA 88 - HB3 GLU 128 far 0 81 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 4097 from aliabs.peaks (4.19, 2.23, 28.58 ppm; 4.25 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.2-2.3 3.0=100 HA HIS 67 - HB2 GLN 68 far 0 43 0 - 5.6-6.6 HA HIS 67 - HB3 GLU 97 far 0 73 0 - 5.6-7.0 HA VAL 105 - HB3 GLU 102 far 0 91 0 - 7.2-8.3 HA ALA 88 - HB3 GLU 128 far 0 95 0 - 7.7-8.6 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 10 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 HB VAL 118 - HB3 GLU 102 far 0 91 0 - 5.0-6.7 HG2 PRO 117 - HB3 GLU 102 far 0 59 0 - 5.6-7.9 HG3 GLU 91 - HB3 GLU 128 far 0 97 0 - 6.7-9.7 HG3 PRO 117 - HB3 GLU 102 far 0 59 0 - 7.0-9.5 HB VAL 126 - HB3 GLU 128 far 0 63 0 - 7.8-8.4 HB3 GLU 44 - HB2 GLN 68 far 0 50 0 - 7.9-11.0 HB2 GLU 102 - HB3 GLU 97 far 0 85 0 - 8.6-10.4 HG3 GLN 134 - HB3 GLU 128 far 0 100 0 - 8.9-12.1 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 8 assignments used, quality = 1.00: * HG2 GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 102 + HB3 GLU 102 OK 93 93 100 100 2.3-3.0 3.0=100 HG3 GLN 68 + HB2 GLN 68 OK 35 35 100 100 2.3-3.0 3.0=100 HG2 GLN 127 - HB3 GLU 128 poor 20 100 35 57 3.6-7.9 7846/3.6=20, 4062=15...(8) HG2 GLU 102 - HB3 GLU 97 far 0 76 0 - 7.6-11.8 HB2 PRO 117 - HB3 GLU 102 far 0 87 0 - 8.6-10.7 HG2 GLU 44 - HB2 GLN 68 far 0 31 0 - 8.8-11.8 HB3 GLN 134 - HB3 GLU 128 far 0 96 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 4101 from aliabs.peaks (2.42, 2.23, 28.58 ppm; 3.34 A): 2 out of 8 assignments used, quality = 1.00: * HG3 GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.7-3.0 3.0=100 HG3 GLU 97 + HB3 GLU 97 OK 62 62 100 100 2.6-3.0 2.9=100 HG2 GLN 101 - HB3 GLU 102 far 15 99 15 - 3.8-6.3 HG2 GLN 101 - HB3 GLU 97 far 4 84 5 - 3.6-8.7 HG2 MET 11 - HB3 GLU 128 far 0 76 0 - 7.0-49.0 HG2 MET 11 - HB3 GLU 97 far 0 58 0 - 8.1-35.7 HG3 GLU 97 - HB3 GLU 102 far 0 79 0 - 8.6-12.4 HG3 GLN 61 - HB2 GLN 68 far 0 43 0 - 9.3-11.6 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 4.0-4.2 4.5=100 H SER 94 - HB3 GLU 97 far 0 80 0 - 6.8-7.1 H SER 94 - HB3 GLU 128 far 0 97 0 - 9.8-10.7 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 3.7-4.4 4.6=100 H ALA 88 - HG2 GLU 128 far 0 81 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 4104 from aliabs.peaks (4.19, 2.34, 34.22 ppm; 4.27 A increased from 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 128 + HG2 GLU 128 OK 100 100 100 100 3.0-4.1 3.9=100 HA ALA 88 - HG2 GLU 128 far 0 95 0 - 5.7-6.7 Violated in 0 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 2.2-3.0 3.0=100 HG3 GLU 91 - HG2 GLU 128 poor 19 97 20 - 4.3-8.0 HB VAL 126 - HG2 GLU 128 far 0 63 0 - 7.7-8.8 HG3 GLN 134 - HG2 GLU 128 far 0 100 0 - 8.4-10.9 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 5 assignments used, quality = 1.00: * HB3 GLU 128 + HG2 GLU 128 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 91 - HG2 GLU 128 far 0 81 0 - 4.7-8.8 HB3 LEU 96 - HG2 GLU 128 far 0 97 0 - 6.5-8.4 HB3 GLN 127 - HG2 GLU 128 far 0 98 0 - 6.8-8.3 HG2 GLU 97 - HG2 GLU 128 far 0 97 0 - 9.9-11.9 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 3 assignments used, quality = 1.00: * HG3 GLU 128 + HG2 GLU 128 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 MET 11 - HG2 GLU 128 far 0 76 0 - 6.3-47.0 HG3 GLU 97 - HG2 GLU 128 far 0 81 0 - 10.0-12.4 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 2.5-4.0 4109=100, 4116/1.8=85...(16) H SER 94 - HG2 GLU 128 far 0 97 0 - 7.5-9.0 Violated in 0 structures by 0.00 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 3.0-4.2 7854=100, 2.9/4111=77...(12) H ALA 88 - HG3 GLU 128 far 0 81 0 - 7.6-9.5 Violated in 0 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 3.0-3.7 4082=88, 2.9/7854=45...(18) HA ALA 88 - HG3 GLU 128 far 0 95 0 - 6.1-7.9 Violated in 2 structures by 0.01 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 2.3-3.0 3.0=100 HG3 GLU 91 - HG3 GLU 128 far 0 97 0 - 4.9-8.0 HB VAL 126 - HG3 GLU 128 far 0 63 0 - 6.8-8.8 HG3 GLN 134 - HG3 GLU 128 far 0 100 0 - 8.3-11.7 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 5 assignments used, quality = 1.00: * HB3 GLU 128 + HG3 GLU 128 OK 100 100 100 100 2.7-3.0 3.0=100 HG2 GLU 91 - HG3 GLU 128 far 0 81 0 - 5.6-8.8 HB3 LEU 96 - HG3 GLU 128 far 0 97 0 - 5.8-8.5 HB3 GLN 127 - HG3 GLU 128 far 0 98 0 - 6.3-7.9 HG2 GLU 97 - HG3 GLU 128 far 0 97 0 - 9.7-11.9 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 4 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 - 4.9-8.7 HB3 GLN 134 - HG3 GLU 128 far 0 96 0 - 9.5-11.8 HB VAL 77 - HG3 GLU 128 far 0 100 0 - 9.8-11.1 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 2.0-3.2 4109/1.8=80, 7864/3.0=75...(16) H SER 94 - HG3 GLU 128 far 0 97 0 - 7.5-9.1 Violated in 0 structures by 0.00 A. Peak 4117 from aliabs.peaks (8.00, 3.45, 66.06 ppm; 4.97 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 129 + HA ILE 129 OK 100 100 100 100 2.7-2.8 2.9=100 H SER 94 - HA ILE 129 far 0 97 0 - 7.7-8.2 H SER 94 - HA VAL 77 far 0 81 0 - 9.1-10.1 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): 2 out of 10 assignments used, quality = 1.00: * HB ILE 129 + HA ILE 129 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 ARG 90 + HA VAL 77 OK 65 65 100 100 4.5-5.2 9662/2401=82...(25) HB2 GLU 91 - HA ILE 129 far 0 99 0 - 7.4-9.1 HG2 ARG 90 - HA ILE 129 far 0 83 0 - 7.6-8.6 QE MET 11 - HA ILE 129 far 0 71 0 - 7.7-39.7 HG2 PRO 81 - HA VAL 77 far 0 86 0 - 7.7-8.7 HB VAL 20 - HA VAL 77 far 0 86 0 - 8.2-31.6 HB2 GLN 134 - HA ILE 129 far 0 87 0 - 8.5-10.2 HB ILE 129 - HA VAL 77 far 0 86 0 - 8.8-9.3 HB2 PRO 81 - HA VAL 77 far 0 26 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 4120 from aliabs.peaks (0.82, 3.45, 66.06 ppm; 3.77 A): 3 out of 13 assignments used, quality = 1.00: * QG2 ILE 129 + HA ILE 129 OK 100 100 100 100 2.0-2.4 3.2=100 HG13 ILE 80 + HA VAL 77 OK 79 79 100 100 2.8-3.8 2.1/9725=74, 1.8/9728=33...(41) QG2 ILE 80 + HA VAL 77 OK 78 82 95 100 3.9-4.4 3.1/9725=58, 4137=33...(42) QG2 ILE 129 - HA VAL 77 far 0 86 0 - 5.6-5.9 QG1 VAL 133 - HA ILE 129 far 0 92 0 - 6.0-7.0 QG1 VAL 133 - HA VAL 77 far 0 74 0 - 6.0-7.3 QG2 ILE 80 - HA ILE 129 far 0 98 0 - 7.9-8.7 HG13 ILE 80 - HA ILE 129 far 0 96 0 - 7.9-8.4 QD1 LEU 122 - HA ILE 129 far 0 87 0 - 8.6-11.1 QD2 LEU 49 - HA ILE 129 far 0 65 0 - 8.9-9.7 QD1 LEU 70 - HA ILE 129 far 0 96 0 - 9.1-10.4 QD1 LEU 70 - HA VAL 77 far 0 79 0 - 9.1-10.2 QD2 LEU 22 - HA VAL 77 far 0 71 0 - 9.9-23.7 Violated in 0 structures by 0.00 A. Peak 4121 from aliabs.peaks (0.75, 3.45, 66.06 ppm; 4.39 A): 1 out of 10 assignments used, quality = 1.00: * HG12 ILE 129 + HA ILE 129 OK 100 100 100 100 2.5-4.0 3.7=100 QD2 LEU 96 - HA ILE 129 far 0 100 0 - 5.5-6.2 QD2 LEU 43 - HA ILE 129 far 0 100 0 - 5.7-6.3 QG1 VAL 93 - HA ILE 129 far 0 100 0 - 6.3-6.9 QG1 VAL 93 - HA VAL 77 far 0 86 0 - 6.4-7.1 QD1 LEU 96 - HA ILE 129 far 0 65 0 - 7.1-8.2 QD1 ILE 37 - HA VAL 77 far 0 61 0 - 7.4-8.9 QD2 LEU 43 - HA VAL 77 far 0 86 0 - 8.2-9.3 QD2 LEU 96 - HA VAL 77 far 0 86 0 - 8.6-9.2 HG12 ILE 129 - HA VAL 77 far 0 86 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 4122 from aliabs.peaks (1.74, 3.45, 66.06 ppm; 5.31 A): 2 out of 9 assignments used, quality = 1.00: * HG13 ILE 129 + HA ILE 129 OK 100 100 100 100 2.9-4.0 3.7=100 HB ILE 80 + HA VAL 77 OK 82 82 100 100 2.5-2.9 3.2/9725=87, 9730=77...(36) HG3 ARG 90 - HA VAL 77 far 4 84 5 - 5.8-6.4 HG13 ILE 129 - HA VAL 77 far 0 86 0 - 7.8-10.6 HG3 ARG 90 - HA ILE 129 far 0 99 0 - 8.4-10.2 HB2 LYS 39 - HA VAL 77 far 0 69 0 - 8.8-10.9 HB2 LYS 19 - HA VAL 77 far 0 86 0 - 9.2-36.0 HB ILE 80 - HA ILE 129 far 0 98 0 - 9.3-9.8 HB2 ARG 23 - HA VAL 77 far 0 83 0 - 9.9-27.5 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 2.5-3.9 4.2=91, 4163/3.2=78...(25) QD1 LEU 42 - HA VAL 77 far 0 71 0 - 5.1-5.6 QD1 LEU 42 - HA ILE 129 far 0 89 0 - 5.5-6.8 QD1 ILE 129 - HA VAL 77 far 0 86 0 - 7.5-8.5 QD1 LEU 43 - HA ILE 129 far 0 65 0 - 7.6-8.6 QD1 LEU 43 - HA VAL 77 far 0 50 0 - 9.5-10.2 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 2 assignments used, quality = 1.00: * H SER 130 + HA ILE 129 OK 100 100 100 100 3.5-3.6 3.6=100 H CYS 125 - HA ILE 129 far 0 99 0 - 8.4-8.7 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 4 assignments used, quality = 1.00: * H VAL 132 + HA ILE 129 OK 100 100 100 100 3.4-3.9 7909=100, 7917/4126=70...(24) H VAL 132 - HA VAL 77 far 0 86 0 - 9.4-9.8 H GLU 97 - HA ILE 129 far 0 73 0 - 9.7-10.5 H ASP 47 - HA ILE 129 far 0 92 0 - 9.7-10.7 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 3 assignments used, quality = 1.00: * HB VAL 132 + HA ILE 129 OK 100 100 100 100 3.3-3.8 4213=100, 2.1/10477=92...(24) HB VAL 132 - HA VAL 77 far 0 86 0 - 6.6-7.1 HB2 PRO 81 - HA VAL 77 far 0 25 0 - 9.0-9.3 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 3.0-3.9 4007=100, 10402/3.2=80...(25) HA ILE 129 + HB ILE 129 OK 85 85 100 100 2.9-3.0 3.0=100 HA VAL 77 - HB ILE 129 far 0 92 0 - 8.8-9.3 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 2.5-3.1 3.8=100 H SER 94 - HB ILE 129 far 0 97 0 - 7.9-9.1 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 2.9-3.0 3.0=100 HA VAL 126 + HB ILE 129 OK 85 85 100 100 3.0-3.9 4007=77, 3.2/11618=68...(24) HA LEU 42 - HB ILE 129 far 0 92 0 - 7.2-8.7 HA VAL 77 - HB ILE 129 far 0 100 0 - 8.8-9.3 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): 1 out of 7 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 far 0 92 0 - 5.6-7.3 QD2 LEU 49 - HB ILE 129 far 0 65 0 - 7.0-7.4 QD1 LEU 122 - HB ILE 129 far 0 87 0 - 7.6-9.7 QD1 LEU 70 - HB ILE 129 far 0 96 0 - 8.2-8.8 HG13 ILE 80 - HB ILE 129 far 0 96 0 - 8.5-9.3 QG2 ILE 80 - HB ILE 129 far 0 98 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 4132 from aliabs.peaks (0.75, 2.00, 37.96 ppm; 5.10 A): 3 out of 5 assignments used, quality = 1.00: * HG12 ILE 129 + HB ILE 129 OK 100 100 100 100 2.3-3.0 2.9=100 QD2 LEU 96 + HB ILE 129 OK 100 100 100 100 4.0-5.1 11807/4007=55...(20) QD2 LEU 43 + HB ILE 129 OK 81 100 85 95 4.8-6.0 9129/9086=65...(4) QD1 LEU 96 - HB ILE 129 far 0 65 0 - 5.8-6.6 QG1 VAL 93 - HB ILE 129 far 0 100 0 - 5.8-6.4 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 3 assignments used, quality = 1.00: * HG13 ILE 129 + HB ILE 129 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 ARG 90 - HB ILE 129 far 0 99 0 - 9.4-11.8 HB2 LYS 39 - HB ILE 129 far 0 87 0 - 9.9-11.5 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 4 assignments used, quality = 1.00: * QD1 ILE 129 + HB ILE 129 OK 100 100 100 100 2.0-3.2 3.2=100 QD1 LEU 42 + HB ILE 129 OK 62 89 70 100 4.1-5.6 9083/2.1=75, 2.1/9086=69...(9) QD1 LEU 43 - HB ILE 129 far 0 65 0 - 7.0-8.5 QD2 LEU 100 - HB ILE 129 far 0 63 0 - 9.9-10.9 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 - 7.2-8.5 H LEU 48 - HB ILE 129 far 0 95 0 - 8.9-10.1 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 2 assignments used, quality = 1.00: * H ILE 129 + QG2 ILE 129 OK 100 100 100 100 3.5-3.8 4.0=100 H SER 94 - QG2 ILE 129 far 0 97 0 - 5.5-6.1 Violated in 0 structures by 0.00 A. Peak 4137 from aliabs.peaks (3.45, 0.82, 16.85 ppm; 3.65 A): 3 out of 6 assignments used, quality = 1.00: * HA ILE 129 + QG2 ILE 129 OK 100 100 100 100 2.0-2.4 3.2=100 HA VAL 77 + QG2 ILE 80 OK 78 87 90 100 3.9-4.4 9725/3.1=53, 9645/2.1=33...(42) HA VAL 126 + QG2 ILE 129 OK 59 85 70 99 4.0-4.4 10402/4163=42...(30) HA VAL 77 - QG2 ILE 129 far 0 100 0 - 5.6-5.9 HA LEU 42 - QG2 ILE 129 far 0 92 0 - 6.3-7.1 HA ILE 129 - QG2 ILE 80 far 0 88 0 - 7.9-8.7 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 19 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 34 87 40 98 2.9-5.0 11168/3.2=31...(27) HB2 PRO 81 - QG2 ILE 80 far 0 27 0 - 4.5-5.1 HG2 ARG 90 - QG2 ILE 129 far 0 83 0 - 5.4-6.7 HG2 ARG 90 - QG2 ILE 80 far 0 67 0 - 6.1-6.7 HB3 GLU 30 - QG2 ILE 32 far 0 53 0 - 6.8-7.7 HB2 GLU 91 - QG2 ILE 129 far 0 99 0 - 7.0-8.2 QE MET 11 - QG2 ILE 129 far 0 71 0 - 7.6-31.4 HB VAL 20 - QG2 ILE 80 far 0 87 0 - 7.7-28.4 HB2 GLN 134 - QG2 ILE 129 far 0 87 0 - 8.4-9.6 QE MET 11 - QG2 ILE 80 far 0 56 0 - 8.7-31.9 HB VAL 20 - QG2 ILE 32 far 0 55 0 - 8.7-17.7 QE MET 11 - QG2 ILE 32 far 0 32 0 - 9.0-30.1 HG2 PRO 81 - QG2 ILE 129 far 0 100 0 - 9.0-10.3 HB2 GLN 134 - QG2 ILE 80 far 0 70 0 - 9.0-10.2 HB2 GLU 91 - QG2 ILE 80 far 0 84 0 - 9.1-9.9 HB ILE 129 - QG2 ILE 80 far 0 88 0 - 9.2-10.1 HB3 MET 11 - QG2 ILE 32 far 0 51 0 - 9.2-32.9 HB3 MET 11 - QG2 ILE 80 far 0 82 0 - 9.9-36.7 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): 3 out of 13 assignments used, quality = 1.00: * HG12 ILE 129 + QG2 ILE 129 OK 99 100 100 99 2.6-3.2 3.2=79, 2.1/4163=65...(20) QD2 LEU 96 + QG2 ILE 129 OK 61 100 70 87 3.2-4.0 4164/4163=26...(27) QD1 ILE 32 + QG2 ILE 32 OK 37 37 100 100 1.8-1.8 3.0=95, 2.1/907=35...(26) QG1 VAL 93 - QG2 ILE 129 far 0 100 0 - 3.7-4.3 QD2 LEU 43 - QG2 ILE 129 far 0 100 0 - 4.3-5.3 QD1 LEU 96 - QG2 ILE 129 far 0 65 0 - 4.7-5.9 QD1 ILE 37 - QG2 ILE 32 far 0 37 0 - 4.8-5.7 QD2 LEU 43 - QG2 ILE 80 far 0 87 0 - 7.4-8.6 QD1 ILE 37 - QG2 ILE 129 far 0 78 0 - 7.9-8.7 QG1 VAL 93 - QG2 ILE 80 far 0 87 0 - 8.6-8.9 QD1 ILE 37 - QG2 ILE 80 far 0 62 0 - 8.8-10.0 HG12 ILE 129 - QG2 ILE 80 far 0 88 0 - 9.4-11.2 QD2 LEU 96 - QG2 ILE 80 far 0 87 0 - 9.9-10.5 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 1.9-3.2 3.2=100 HB ILE 80 + QG2 ILE 80 OK 83 83 100 100 2.1-2.1 2.1=100 HB2 LYS 26 - QG2 ILE 32 poor 14 55 25 - 3.5-7.5 HB2 LYS 31 - QG2 ILE 32 far 0 55 0 - 5.7-6.3 HG3 ARG 90 - QG2 ILE 129 far 0 99 0 - 5.9-7.9 HB2 LYS 39 - QG2 ILE 80 far 0 70 0 - 6.6-9.0 HB2 LYS 19 - QG2 ILE 80 far 0 88 0 - 6.6-31.5 HG3 ARG 90 - QG2 ILE 80 far 0 85 0 - 6.9-8.2 HB ILE 80 - QG2 ILE 129 far 0 98 0 - 6.9-7.5 HB2 LYS 24 - QG2 ILE 32 far 0 56 0 - 7.3-11.7 HB2 ARG 23 - QG2 ILE 32 far 0 53 0 - 7.5-14.4 HB2 LYS 39 - QG2 ILE 129 far 0 87 0 - 7.9-9.2 HG13 ILE 129 - QG2 ILE 80 far 0 88 0 - 8.6-11.2 HG LEU 100 - QG2 ILE 129 far 0 60 0 - 9.1-10.3 HB2 ARG 23 - QG2 ILE 80 far 0 84 0 - 9.4-25.0 HB2 LYS 19 - QG2 ILE 32 far 0 55 0 - 9.4-21.0 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 8 assignments used, quality = 1.00: * QD1 ILE 129 + QG2 ILE 129 OK 100 100 100 100 1.8-2.7 4163=100, 2.1/4140=30...(28) QD1 LEU 42 + QG2 ILE 129 OK 69 89 85 92 2.6-3.8 2.1/10486=51, 9083=46...(17) QD1 LEU 43 - QG2 ILE 129 far 0 65 0 - 6.3-7.2 QD1 LEU 42 - QG2 ILE 80 far 0 72 0 - 6.6-7.4 QD1 LEU 43 - QG2 ILE 80 far 0 51 0 - 7.9-8.8 QD1 ILE 129 - QG2 ILE 80 far 0 88 0 - 8.1-9.0 QD2 LEU 100 - QG2 ILE 129 far 0 63 0 - 8.6-9.4 QD1 LEU 42 - QG2 ILE 32 far 0 44 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 4143 from aliabs.peaks (8.03, 0.82, 16.85 ppm; 4.11 A): 1 out of 4 assignments used, quality = 1.00: * H SER 130 + QG2 ILE 129 OK 100 100 100 100 3.4-3.9 7884=100, 7883/2.1=78...(17) H CYS 125 - QG2 ILE 129 far 0 99 0 - 7.6-7.9 H LEU 48 - QG2 ILE 129 far 0 95 0 - 9.0-9.7 H SER 130 - QG2 ILE 80 far 0 88 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 4144 from aliabs.peaks (8.00, 0.75, 30.23 ppm; 5.32 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HG12 ILE 129 OK 100 100 100 100 1.3-3.0 4.8=100 H SER 94 - HG12 ILE 129 far 0 97 0 - 6.3-8.1 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 2.5-4.0 3.7=100 HA VAL 126 + HG12 ILE 129 OK 85 85 100 100 1.8-4.5 10402/2.1=73...(25) HA LEU 42 - HG12 ILE 129 far 0 92 0 - 8.5-11.3 HA VAL 77 - HG12 ILE 129 far 0 100 0 - 9.2-10.7 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 2.3-3.0 2.9=100 HB2 GLU 91 - HG12 ILE 129 far 0 99 0 - 6.6-11.1 QE MET 11 - HG12 ILE 129 far 0 71 0 - 7.3-39.5 HG2 ARG 90 - HG12 ILE 129 far 0 83 0 - 8.3-10.5 Violated in 0 structures by 0.00 A. Peak 4147 from aliabs.peaks (0.82, 0.75, 30.23 ppm; 4.41 A): 1 out of 7 assignments used, quality = 1.00: * QG2 ILE 129 + HG12 ILE 129 OK 100 100 100 100 2.6-3.2 3.2=100 QD2 LEU 49 - HG12 ILE 129 far 0 65 0 - 5.8-8.4 QD1 LEU 122 - HG12 ILE 129 far 0 87 0 - 6.2-9.4 QD1 LEU 70 - HG12 ILE 129 far 0 96 0 - 7.3-9.0 QG1 VAL 133 - HG12 ILE 129 far 0 92 0 - 7.5-8.8 QG2 ILE 80 - HG12 ILE 129 far 0 98 0 - 9.4-11.2 HG13 ILE 80 - HG12 ILE 129 far 0 96 0 - 9.8-11.0 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 HG LEU 100 - HG12 ILE 129 far 0 60 0 - 9.3-11.6 HG3 ARG 90 - HG12 ILE 129 far 0 99 0 - 9.4-11.9 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 0 89 0 - 5.5-7.3 QD2 LEU 100 - HG12 ILE 129 far 0 63 0 - 8.7-11.2 QD1 LEU 43 - HG12 ILE 129 far 0 65 0 - 9.0-10.2 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 3 assignments used, quality = 1.00: * H SER 130 + HG12 ILE 129 OK 100 100 100 100 3.3-4.4 7883/2.9=100...(13) H CYS 125 + HG12 ILE 129 OK 99 99 100 100 5.9-6.7 ~10469=80, ~10379=75...(9) H LEU 48 - HG12 ILE 129 far 0 95 0 - 9.1-12.6 Violated in 0 structures by 0.00 A. Peak 4152 from aliabs.peaks (8.00, 1.74, 30.23 ppm; 5.59 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HG13 ILE 129 OK 100 100 100 100 1.3-3.8 4.8=100 H SER 94 - HG13 ILE 129 poor 19 97 20 - 5.3-8.1 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 2.9-4.0 3.7=100 HA VAL 126 + HG13 ILE 129 OK 85 85 100 100 1.8-5.0 10402/2.1=68...(27) HA VAL 77 - HG13 ILE 129 far 0 100 0 - 7.8-10.6 HA LEU 42 - HG13 ILE 129 far 0 92 0 - 8.2-10.6 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 2.3-3.0 2.9=100 HG2 ARG 90 - HG13 ILE 129 far 0 83 0 - 6.8-10.3 HB2 GLU 91 - HG13 ILE 129 far 0 99 0 - 6.8-11.3 QE MET 11 - HG13 ILE 129 far 0 71 0 - 8.5-38.3 Violated in 0 structures by 0.00 A. Peak 4155 from aliabs.peaks (0.82, 1.74, 30.23 ppm; 4.34 A): 1 out of 7 assignments used, quality = 1.00: * QG2 ILE 129 + HG13 ILE 129 OK 100 100 100 100 1.9-3.2 3.2=100 QD2 LEU 49 - HG13 ILE 129 far 0 65 0 - 5.6-8.6 QD1 LEU 122 - HG13 ILE 129 far 0 87 0 - 5.6-9.5 QD1 LEU 70 - HG13 ILE 129 far 0 96 0 - 7.2-8.4 QG1 VAL 133 - HG13 ILE 129 far 0 92 0 - 7.5-8.7 QG2 ILE 80 - HG13 ILE 129 far 0 98 0 - 8.6-11.2 HG13 ILE 80 - HG13 ILE 129 far 0 96 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. Peak 4156 from aliabs.peaks (0.75, 1.74, 30.23 ppm; 4.15 A): 3 out of 5 assignments used, quality = 1.00: * HG12 ILE 129 + HG13 ILE 129 OK 100 100 100 100 1.8-1.8 1.8=100 QD2 LEU 96 + HG13 ILE 129 OK 99 100 100 99 2.6-4.2 4164/2.1=47, ~10492=36...(20) QD1 LEU 96 + HG13 ILE 129 OK 42 65 65 98 3.9-6.5 ~10492=37, ~10492=35...(22) QG1 VAL 93 - HG13 ILE 129 poor 20 100 20 - 4.3-6.2 QD2 LEU 43 - HG13 ILE 129 far 0 100 0 - 6.4-8.0 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 0 89 0 - 5.0-6.6 QD2 LEU 100 - HG13 ILE 129 far 0 63 0 - 8.3-10.9 QD1 LEU 43 - HG13 ILE 129 far 0 65 0 - 8.5-10.2 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 3 assignments used, quality = 1.00: * H SER 130 + HG13 ILE 129 OK 100 100 100 100 3.2-5.2 7886=100, 7883/2.9=98...(13) H CYS 125 - HG13 ILE 129 far 15 99 15 - 5.8-7.9 H LEU 48 - HG13 ILE 129 far 0 95 0 - 9.0-12.8 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 3 assignments used, quality = 1.00: * H ILE 129 + QD1 ILE 129 OK 100 100 100 100 2.5-3.4 7873=100, 7872/2.1=70...(20) H SER 94 + QD1 ILE 129 OK 29 97 30 99 4.5-4.8 3.6/10461=57...(12) H SER 51 - QD1 ILE 129 far 0 89 0 - 9.8-11.0 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 2.5-3.9 4123=65, 3.2/4163=62...(25) HA VAL 126 + QD1 ILE 129 OK 84 85 100 99 2.1-2.9 10402=58, 3.2/11692=45...(24) HA VAL 77 - QD1 ILE 129 far 0 100 0 - 7.5-8.5 HA LEU 42 - QD1 ILE 129 far 0 92 0 - 7.9-8.7 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 7 assignments used, quality = 1.00: * HB ILE 129 + QD1 ILE 129 OK 100 100 100 100 2.0-3.2 3.2=100 QE MET 11 - QD1 ILE 129 far 0 71 0 - 5.7-31.5 HB2 GLU 91 - QD1 ILE 129 far 0 99 0 - 6.2-7.9 HG2 ARG 90 - QD1 ILE 129 far 0 83 0 - 6.2-7.5 HB3 MET 11 - QD1 ILE 129 far 0 97 0 - 8.4-35.7 HB3 LEU 53 - QD1 ILE 129 far 0 98 0 - 9.6-11.9 HB2 GLN 134 - QD1 ILE 129 far 0 87 0 - 9.8-11.5 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 7 assignments used, quality = 0.99: * QG2 ILE 129 + QD1 ILE 129 OK 99 100 100 99 1.8-2.7 3.0=79, 4140/2.1=28...(28) QD1 LEU 122 - QD1 ILE 129 far 0 87 0 - 4.8-7.1 QD1 LEU 70 - QD1 ILE 129 far 0 96 0 - 5.2-6.0 QD2 LEU 49 - QD1 ILE 129 far 0 65 0 - 5.4-6.0 QG1 VAL 133 - QD1 ILE 129 far 0 92 0 - 6.9-7.7 QG2 ILE 80 - QD1 ILE 129 far 0 98 0 - 8.1-9.0 HG13 ILE 80 - QD1 ILE 129 far 0 96 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 4164 from aliabs.peaks (0.75, 0.65, 14.48 ppm; 2.93 A): 3 out of 7 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 98 1.8-2.3 3.2/10492=31...(35) QG1 VAL 93 + QD1 ILE 129 OK 84 100 85 99 3.2-3.6 2.1/10487=52...(35) QD1 LEU 96 - QD1 ILE 129 far 0 65 0 - 3.7-4.3 QD2 LEU 43 - QD1 ILE 129 far 0 100 0 - 6.2-6.9 QD2 LEU 103 - QD1 ILE 129 far 0 95 0 - 8.6-9.8 QD1 ILE 37 - QD1 ILE 129 far 0 78 0 - 8.8-10.2 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 - 6.3-8.4 HG LEU 100 - QD1 ILE 129 far 0 60 0 - 7.1-8.4 HB ILE 80 - QD1 ILE 129 far 0 98 0 - 9.2-10.1 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; 4.71 A increased from 4.19 A): 2 out of 3 assignments used, quality = 1.00: * H SER 130 + QD1 ILE 129 OK 100 100 100 100 4.0-4.6 7887=98, 4143/4163=81...(18) H CYS 125 + QD1 ILE 129 OK 69 99 70 99 4.7-5.6 2.9/10469=64...(12) H LEU 48 - QD1 ILE 129 far 0 95 0 - 9.2-10.0 Violated in 0 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 - 8.7-9.5 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 3 assignments used, quality = 1.00: * HB2 SER 130 + HA SER 130 OK 100 100 100 100 2.2-2.7 3.0=100 HA GLU 40 - HA SER 130 far 0 97 0 - 7.5-8.3 HB2 SER 50 - HA SER 130 far 0 100 0 - 8.1-10.2 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 5 assignments used, quality = 1.00: * H ASP 131 + HA SER 130 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 43 + HA SER 130 OK 92 92 100 100 5.0-5.6 4.4/11747=94...(15) H VAL 126 - HA SER 130 far 0 99 0 - 8.5-9.5 H GLU 40 - HA SER 130 far 0 92 0 - 8.7-9.3 H LEU 49 - HA SER 130 far 0 63 0 - 9.6-10.6 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 3.4-3.8 7935/11861=87...(20) 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 1 assignment used, quality = 1.00: * HB VAL 133 + HA SER 130 OK 100 100 100 100 2.3-3.3 2.1/11861=87...(13) Violated in 0 structures by 0.00 A. Peak 4175 from aliabs.peaks (3.97, 3.82, 62.38 ppm; 3.29 A): 2 out of 8 assignments used, quality = 0.84: HA GLN 127 + HB2 SER 50 OK 62 98 80 80 2.9-4.6 4037=42, 2858/1.8=16...(12) HA SER 50 + HB2 SER 50 OK 58 58 100 100 2.2-2.8 3.0=100 ! HA GLN 127 - HB2 SER 130 poor 16 100 20 79 3.1-5.5 4181/1.8=53...(6) HB3 SER 51 - HB2 SER 50 far 0 90 0 - 5.2-7.4 HB2 SER 51 - HB2 SER 50 far 0 64 0 - 5.4-6.9 HA SER 50 - HB2 SER 130 far 0 63 0 - 7.8-10.2 HB2 SER 124 - HB2 SER 50 far 0 76 0 - 8.1-10.3 HB3 SER 51 - HB2 SER 130 far 0 95 0 - 9.4-12.1 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 2.2-2.7 3.0=100 HA LEU 43 + HB2 SER 130 OK 97 100 100 97 2.2-4.5 3.9/11720=69...(10) HB3 SER 130 - HB2 SER 50 far 0 98 0 - 5.6-7.3 HA VAL 133 - HB2 SER 130 far 0 100 0 - 7.2-8.4 HA LEU 43 - HB2 SER 50 far 0 97 0 - 8.0-10.0 HA SER 130 - HB2 SER 50 far 0 98 0 - 8.1-10.2 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 91 100 100 91 2.2-2.7 3.0=71, 2.9/7889=29...(10) HA LEU 43 + HB2 SER 130 OK 38 100 70 54 2.2-4.5 3.9/11720=22...(10) HB3 SER 130 - HB2 SER 50 far 0 98 0 - 5.6-7.3 HA VAL 133 - HB2 SER 130 far 0 100 0 - 7.2-8.4 HA LEU 43 - HB2 SER 50 far 0 97 0 - 8.0-10.0 HA SER 130 - HB2 SER 50 far 0 98 0 - 8.1-10.2 Violated in 0 structures by 0.00 A. Peak 4181 from aliabs.peaks (3.97, 3.77, 62.38 ppm; 3.91 A increased from 3.68 A): 1 out of 3 assignments used, quality = 0.96: * HA GLN 127 + HB3 SER 130 OK 96 100 100 96 3.3-3.9 4038=85, 4036/3.9=41...(7) HA SER 50 - HB3 SER 130 far 0 63 0 - 8.1-8.9 HB3 SER 51 - HB3 SER 130 far 0 95 0 - 9.3-12.1 Violated in 0 structures by 0.00 A. Peak 4182 from aliabs.peaks (8.03, 3.77, 62.38 ppm; 4.29 A): 1 out of 3 assignments used, quality = 1.00: * H SER 130 + HB3 SER 130 OK 100 100 100 100 2.1-3.1 3.9=100 H LEU 48 - HB3 SER 130 far 0 95 0 - 7.1-8.7 H CYS 125 - HB3 SER 130 far 0 99 0 - 8.9-9.8 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 - 5.6-7.3 HA GLU 40 - HB3 SER 130 far 0 97 0 - 8.8-9.4 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): 1 out of 4 assignments used, quality = 1.00: * H ASP 131 + HB3 SER 130 OK 100 100 100 100 2.6-3.3 4.6=100 H LEU 43 - HB3 SER 130 far 0 92 0 - 6.3-7.4 H VAL 126 - HB3 SER 130 far 0 99 0 - 7.1-8.4 H LEU 49 - HB3 SER 130 far 0 63 0 - 7.9-9.5 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 2 assignments used, quality = 1.00: * H ASP 131 + HA ASP 131 OK 100 100 100 100 2.7-2.8 2.9=100 H LEU 43 - HA ASP 131 far 0 92 0 - 8.8-10.0 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 1 assignment used, quality = 1.00: * HB2 ASP 131 + HA ASP 131 OK 100 100 100 100 2.6-2.7 3.0=100 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 3.0-3.0 3.0=100 HB3 ASP 47 - HA ASP 131 far 0 65 0 - 9.7-11.8 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 3.6-3.6 3.6=100 H ASP 47 - HA ASP 131 far 0 92 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 4193 from aliabs.peaks (2.02, 4.31, 56.71 ppm; 4.51 A increased from 4.25 A): 1 out of 6 assignments used, quality = 0.97: * HB2 GLN 134 + HA ASP 131 OK 97 100 100 97 2.9-4.6 1.8/4194=70, 4266=66...(7) HG3 ARG 135 - HA ASP 131 far 5 96 5 - 4.8-6.8 HB ILE 129 - HA ASP 131 far 0 87 0 - 7.2-7.7 HB2 GLN 127 - HA ASP 131 far 0 63 0 - 7.3-7.9 HG3 PRO 81 - HA ASP 131 far 0 60 0 - 9.9-11.5 HG2 PRO 81 - HA ASP 131 far 0 93 0 - 9.9-11.7 Violated in 2 structures by 0.01 A. Peak 4194 from aliabs.peaks (2.33, 4.31, 56.71 ppm; 4.92 A increased from 4.38 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 134 + HA ASP 131 OK 100 100 100 100 2.8-5.0 1.8/4193=91, 4276=85...(9) HG2 GLU 128 - HA ASP 131 far 0 96 0 - 6.2-8.6 HG2 GLN 127 - HA ASP 131 far 0 93 0 - 7.8-8.7 Violated in 2 structures by 0.01 A. Peak 4195 from aliabs.peaks (4.19, 2.77, 40.78 ppm; 3.82 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 128 + HB2 ASP 131 OK 100 100 100 100 2.5-3.2 4085=98, 4086/1.8=77...(13) HA ALA 34 - HB2 TYR 76 far 0 76 0 - 5.6-7.7 HB3 SER 38 - HB2 TYR 76 far 0 73 0 - 7.6-9.4 HA ALA 88 - HB2 ASP 131 far 0 95 0 - 9.9-10.8 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 5 assignments used, quality = 1.00: * H ASP 131 + HB2 ASP 131 OK 100 100 100 100 2.1-2.2 3.8=100 H LEU 43 - HB2 TYR 76 far 0 89 0 - 6.8-7.4 H GLU 40 - HB2 TYR 76 far 0 89 0 - 8.0-9.6 H VAL 126 - HB2 ASP 131 far 0 99 0 - 8.9-9.4 H LEU 69 - HB2 TYR 76 far 0 66 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 4197 from aliabs.peaks (4.31, 2.77, 40.78 ppm; 3.69 A): 2 out of 8 assignments used, quality = 1.00: * HA ASP 131 + HB2 ASP 131 OK 100 100 100 100 2.6-2.7 3.0=100 HA TYR 76 + HB2 TYR 76 OK 99 99 100 100 2.5-3.0 3.0=100 HA2 GLY 75 - HB2 TYR 76 far 0 86 0 - 5.7-5.9 HA SER 74 - HB2 TYR 76 far 0 80 0 - 5.8-6.9 HA ASP 47 - HB2 ASP 131 far 0 60 0 - 8.6-9.8 HA LYS 36 - HB2 TYR 76 far 0 71 0 - 9.3-11.4 HA ALA 15 - HB2 TYR 76 far 0 58 0 - 9.9-39.9 HA PRO 81 - HB2 TYR 76 far 0 82 0 - 10.0-10.5 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 1 assignment used, quality = 1.00: * HB3 ASP 131 + HB2 ASP 131 OK 100 100 100 100 1.8-1.8 1.8=100 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 4 assignments used, quality = 1.00: * H VAL 132 + HB2 ASP 131 OK 100 100 100 100 3.3-3.5 7914=100, 7915/1.8=85...(17) H LEU 70 - HB2 TYR 76 far 0 97 0 - 8.9-9.5 H ASP 47 - HB2 ASP 131 far 0 92 0 - 9.7-10.8 H VAL 132 - HB2 TYR 76 far 0 99 0 - 9.8-11.2 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 3.2-3.8 4086=100, 4195/1.8=75...(14) HA ALA 88 - HB3 ASP 131 far 0 95 0 - 8.4-9.6 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 2 assignments used, quality = 1.00: * H ASP 131 + HB3 ASP 131 OK 100 100 100 100 2.9-3.0 3.8=100 H VAL 126 - HB3 ASP 131 far 0 99 0 - 9.8-10.3 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 1 assignment used, quality = 1.00: * HA ASP 131 + HB3 ASP 131 OK 100 100 100 100 3.0-3.0 3.0=100 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 1 assignment used, quality = 1.00: * HB2 ASP 131 + HB3 ASP 131 OK 100 100 100 100 1.8-1.8 1.8=100 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 1 assignment used, quality = 1.00: * H VAL 132 + HB3 ASP 131 OK 100 100 100 100 2.2-2.6 7915=100, 7914/1.8=88...(24) 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 2.7-2.8 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 3.0-3.0 3.0=100 HB2 PRO 81 - HA VAL 132 far 0 33 0 - 9.8-11.8 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 2.0-2.1 3.2=100 QG2 VAL 132 + HA VAL 132 OK 96 96 100 100 2.5-2.6 3.2=100 HG2 LYS 39 - HA VAL 132 far 0 99 0 - 8.6-10.8 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 2.5-2.6 3.2=100 QG1 VAL 132 + HA VAL 132 OK 96 96 100 100 2.0-2.1 3.2=100 HG2 LYS 39 - HA VAL 132 far 0 100 0 - 8.6-10.8 HG3 LYS 39 - HA VAL 132 far 0 81 0 - 8.8-9.2 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 3.4-3.5 3.6=100 H GLU 91 - HA VAL 132 far 0 85 0 - 9.1-9.9 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 3.3-3.8 4126=100, 10477/2.1=90...(23) HA VAL 77 - HB VAL 132 far 0 100 0 - 6.6-7.1 HA VAL 126 - HB VAL 132 far 0 85 0 - 8.6-9.0 Violated in 0 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 3.0-3.0 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 4 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 0 84 0 - 5.0-6.6 HG2 LYS 39 - HB VAL 132 far 0 99 0 - 8.3-10.4 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 5 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 far 0 77 0 - 5.0-6.6 HG3 LYS 39 - HB VAL 132 far 0 81 0 - 8.1-8.7 HG2 LYS 39 - HB VAL 132 far 0 100 0 - 8.3-10.4 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 5 assignments used, quality = 1.00: * H VAL 132 + QG1 VAL 132 OK 100 100 100 100 3.6-3.7 4.0=100 H VAL 132 + QG2 VAL 132 OK 72 72 100 100 1.8-1.9 4.0=100 H ALA 12 - QG1 VAL 132 far 0 78 0 - 8.6-36.6 H ALA 12 - QG2 VAL 132 far 0 49 0 - 8.7-37.1 H ASP 47 - QG2 VAL 132 far 0 61 0 - 9.9-10.7 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 3 assignments used, quality = 1.00: * HA VAL 132 + QG1 VAL 132 OK 100 100 100 100 2.0-2.1 3.2=100 HA VAL 132 + QG2 VAL 132 OK 72 72 100 100 2.5-2.6 3.2=100 HA LEU 42 - QG2 VAL 132 far 0 36 0 - 10.0-10.8 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 - 7.8-9.6 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): 2 out of 4 assignments used, quality = 1.00: * H VAL 133 + QG1 VAL 132 OK 100 100 100 100 3.9-4.1 4.2=100 H VAL 133 + QG2 VAL 132 OK 72 72 100 100 3.5-3.7 4.4=100 H GLU 91 - QG2 VAL 132 far 0 55 0 - 5.4-6.2 H GLU 91 - QG1 VAL 132 far 0 85 0 - 5.4-6.1 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 5 assignments used, quality = 1.00: * H VAL 132 + QG2 VAL 132 OK 100 100 100 100 1.8-1.9 7917/2.1=63, 4.0=52...(28) H VAL 132 + QG1 VAL 132 OK 72 72 100 99 3.6-3.7 7917/2.1=63, 4.0=54...(23) H ALA 12 - QG1 VAL 132 far 0 49 0 - 8.6-36.6 H ALA 12 - QG2 VAL 132 far 0 78 0 - 8.7-37.1 H ASP 47 - QG2 VAL 132 far 0 92 0 - 9.9-10.7 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 3 assignments used, quality = 1.00: * HA VAL 132 + QG2 VAL 132 OK 99 100 100 99 2.5-2.6 3.2=86, 3.0/4226=29...(19) HA VAL 132 + QG1 VAL 132 OK 72 72 100 99 2.0-2.1 3.2=85, 11868/11875=25...(20) HA LEU 42 - QG2 VAL 132 far 0 60 0 - 10.0-10.8 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 2 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 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 3.5-3.7 7929/2.1=75, 4.4=74...(31) H VAL 133 + QG1 VAL 132 OK 72 72 100 100 3.9-4.1 4.2=81, 7929/2.1=75...(24) H GLU 91 - QG2 VAL 132 far 0 85 0 - 5.4-6.2 H GLU 91 - QG1 VAL 132 far 0 55 0 - 5.4-6.1 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): 1 out of 3 assignments used, quality = 1.00: * HB VAL 133 + HA VAL 133 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 GLN 82 - HA VAL 133 far 0 87 0 - 5.6-8.6 HB2 PRO 81 - HA VAL 133 far 0 93 0 - 6.6-7.9 Violated in 0 structures by 0.00 A. Peak 4235 from aliabs.peaks (0.84, 3.77, 64.98 ppm; 3.61 A): 2 out of 4 assignments used, quality = 1.00: * QG1 VAL 133 + HA VAL 133 OK 100 100 100 100 2.2-2.9 3.2=100 HG13 ILE 80 + HA VAL 133 OK 25 65 40 97 3.4-4.7 2.1/9726=51, ~10588=27...(20) QG2 ILE 80 - HA VAL 133 far 0 73 0 - 4.5-5.2 QG2 ILE 129 - HA VAL 133 far 0 92 0 - 5.4-6.1 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 1.9-2.5 3.2=100 QG1 VAL 77 - HA VAL 133 far 0 95 0 - 8.5-9.0 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 1 assignment used, quality = 1.00: * H VAL 133 + HB VAL 133 OK 100 100 100 100 2.1-2.7 4.0=100 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 4 assignments used, quality = 1.00: * HA VAL 133 + HB VAL 133 OK 100 100 100 100 2.8-3.0 3.0=100 HA SER 130 + HB VAL 133 OK 99 100 100 99 2.3-3.3 11861/2.1=60...(12) HA LEU 43 - HB VAL 133 far 10 98 10 - 4.6-5.3 HB3 SER 130 - HB VAL 133 far 0 100 0 - 5.1-5.9 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): 1 out of 5 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 far 9 92 10 - 4.0-5.8 HG13 ILE 80 - HB VAL 133 far 0 65 0 - 5.5-6.3 QG2 ILE 80 - HB VAL 133 far 0 73 0 - 6.7-7.6 QD2 LEU 69 - HB VAL 133 far 0 65 0 - 8.2-8.8 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 - 9.1-10.1 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 1 assignment used, quality = 1.00: * H VAL 133 + QG1 VAL 133 OK 100 100 100 100 3.2-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 4246 from aliabs.peaks (3.77, 0.84, 22.12 ppm; 3.28 A): 2 out of 5 assignments used, quality = 1.00: * HA VAL 133 + QG1 VAL 133 OK 100 100 100 100 2.2-2.9 3.2=100 HA SER 130 + QG1 VAL 133 OK 29 100 30 96 2.9-4.5 11747/11777=39...(18) HA LEU 43 - QG1 VAL 133 far 0 98 0 - 3.9-5.1 HB3 SER 130 - QG1 VAL 133 far 0 100 0 - 5.2-6.8 HA THR 83 - QG1 VAL 133 far 0 65 0 - 9.0-10.3 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 3 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 - 5.6-6.8 HB2 GLN 82 - QG1 VAL 133 far 0 87 0 - 6.6-9.4 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 - 7.5-8.5 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 2.4-3.9 4.3=100 H LEU 42 + QG1 VAL 133 OK 100 100 100 100 4.8-5.4 1331/10585=93...(7) 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 2 assignments used, quality = 1.00: * H VAL 133 + QG2 VAL 133 OK 100 100 100 100 2.0-3.3 7935=100, 7933/2.1=65...(26) H GLU 91 - QG2 VAL 133 far 0 85 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 4252 from aliabs.peaks (3.77, 1.04, 23.71 ppm; 3.02 A): 2 out of 5 assignments used, quality = 1.00: * HA VAL 133 + QG2 VAL 133 OK 98 100 100 98 1.9-2.5 3.2=84, 3.0/7935=44...(15) HA SER 130 + QG2 VAL 133 OK 83 100 90 92 2.5-3.8 11861=31, 11747/11090=29...(21) HA LEU 43 - QG2 VAL 133 far 0 98 0 - 4.4-5.2 HB3 SER 130 - QG2 VAL 133 far 0 100 0 - 5.0-6.3 HA THR 83 - QG2 VAL 133 far 0 65 0 - 8.3-9.1 Violated in 0 structures by 0.00 A. Peak 4253 from aliabs.peaks (2.19, 1.04, 23.71 ppm; 3.28 A): 1 out of 5 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 far 0 93 0 - 6.4-7.9 HB2 GLN 82 - QG2 VAL 133 far 0 87 0 - 6.4-8.9 HG2 GLU 91 - QG2 VAL 133 far 0 81 0 - 8.8-10.4 HG2 GLN 68 - QG2 VAL 133 far 0 68 0 - 9.6-10.9 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 7 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 61 92 75 88 2.7-3.5 10486/10587=29...(18) HG13 ILE 80 + QG2 VAL 133 OK 47 65 85 85 2.7-3.7 2.1/10588=35, ~10586=13...(22) QG2 ILE 80 - QG2 VAL 133 far 0 73 0 - 4.4-5.4 QD2 LEU 69 - QG2 VAL 133 far 0 65 0 - 6.7-7.2 QD2 LEU 70 - QG2 VAL 133 far 0 87 0 - 8.1-8.8 QD1 LEU 70 - QG2 VAL 133 far 0 65 0 - 9.0-9.6 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): 1 out of 2 assignments used, quality = 1.00: * H GLN 134 + QG2 VAL 133 OK 100 100 100 100 3.6-4.3 4.4=100 H LEU 42 - QG2 VAL 133 far 0 100 0 - 5.4-5.9 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): 1 out of 10 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 far 0 96 0 - 5.3-6.7 HG3 PRO 81 - HA GLN 134 far 0 60 0 - 5.3-7.0 HB2 GLN 127 - HA ASP 47 far 0 38 0 - 5.4-7.5 HG2 PRO 81 - HA GLN 134 far 0 93 0 - 5.7-7.3 HB2 GLU 44 - HA ASP 47 far 0 72 0 - 7.3-7.8 HB2 PRO 81 - HA GLN 134 far 0 48 0 - 7.4-9.4 HB ILE 129 - HA ASP 47 far 0 56 0 - 7.7-8.8 HB3 LEU 53 - HA ASP 47 far 0 40 0 - 7.8-10.0 HB ILE 129 - HA GLN 134 far 0 87 0 - 9.5-10.9 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 5 assignments used, quality = 1.00: * HB3 GLN 134 + HA GLN 134 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 127 - HA ASP 47 poor 19 63 30 - 4.3-8.1 HG2 GLU 44 - HA ASP 47 far 0 64 0 - 8.0-9.5 HG3 GLN 68 - HA ASP 47 far 0 67 0 - 9.2-10.2 HB3 GLN 134 - HA ASP 47 far 0 73 0 - 9.9-11.9 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 2.5-3.7 4287=84, 1.8/4296=74...(18) HG2 GLN 134 - HA ASP 47 far 0 73 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. Peak 4262 from aliabs.peaks (2.08, 4.35, 56.69 ppm; 4.27 A): 1 out of 9 assignments used, quality = 1.00: * HG3 GLN 134 + HA GLN 134 OK 100 100 100 100 2.4-3.8 4.1=100 HG3 PRO 81 - HA GLN 134 far 0 65 0 - 5.3-7.0 HB2 GLN 127 - HA ASP 47 far 0 38 0 - 5.4-7.5 HB3 LYS 39 - HA GLN 134 far 0 100 0 - 5.9-6.8 HB3 GLN 82 - HA GLN 134 far 0 95 0 - 6.9-10.8 HB2 PRO 81 - HA GLN 134 far 0 88 0 - 7.4-9.4 HB3 GLU 44 - HA ASP 47 far 0 72 0 - 7.9-8.2 HG3 GLN 134 - HA ASP 47 far 0 73 0 - 8.6-10.2 HB2 GLU 128 - HA ASP 47 far 0 72 0 - 9.8-10.7 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 1 assignment used, quality = 1.00: * HA ASP 131 + HB2 GLN 134 OK 100 100 100 100 2.9-4.6 4193=100, 4194/1.8=88...(7) Violated in 0 structures by 0.00 A. Peak 4268 from aliabs.peaks (4.35, 2.02, 30.42 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 134 + HB2 GLN 134 OK 100 100 100 100 2.4-3.0 3.0=100 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 128 - HB2 GLN 134 far 0 96 0 - 8.9-12.7 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 2.8-3.0 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 5 assignments used, quality = 1.00: * HG3 GLN 134 + HB2 GLN 134 OK 100 100 100 100 2.2-2.9 2.9=100 HB3 LYS 39 - HB2 GLN 134 far 0 100 0 - 7.5-9.2 HG3 PRO 81 - HB2 GLN 134 far 0 65 0 - 7.6-9.7 HB3 GLN 82 - HB2 GLN 134 far 0 95 0 - 9.3-12.4 HB2 PRO 81 - HB2 GLN 134 far 0 88 0 - 9.6-12.1 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 2 assignments used, quality = 1.00: * HA ASP 131 + HB3 GLN 134 OK 100 100 100 100 2.8-5.0 4194=100, 4193/1.8=95...(9) HA ASP 47 - HB3 GLN 134 far 0 60 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 4278 from aliabs.peaks (4.35, 2.33, 30.42 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 134 + HB3 GLN 134 OK 100 100 100 100 2.2-3.0 3.0=100 HA ASP 47 - HB3 GLN 134 far 0 90 0 - 9.9-11.9 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 8 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 - 4.7-8.1 HG2 PRO 81 - HB3 GLN 134 far 0 93 0 - 7.7-9.8 HG3 PRO 81 - HB3 GLN 134 far 0 60 0 - 7.8-9.4 HB ILE 129 - HB3 GLN 134 far 0 87 0 - 8.4-10.4 HB3 GLU 40 - HB3 GLN 134 far 0 100 0 - 9.3-12.5 HB2 GLN 127 - HB3 GLN 134 far 0 63 0 - 9.7-11.9 HB2 PRO 81 - HB3 GLN 134 far 0 48 0 - 9.8-11.9 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 2.3-2.9 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 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 0 100 0 - 6.2-9.1 HG3 PRO 81 - HB3 GLN 134 far 0 65 0 - 7.8-9.4 HB3 GLN 82 - HB3 GLN 134 far 0 95 0 - 9.1-12.5 HB2 GLN 127 - HB3 GLN 134 far 0 63 0 - 9.7-11.9 HB2 PRO 81 - HB3 GLN 134 far 0 88 0 - 9.8-11.9 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 2 assignments used, quality = 1.00: * HA GLN 134 + HG2 GLN 134 OK 100 100 100 100 2.5-3.7 4.1=100 HA ASP 47 - HG2 GLN 134 far 0 90 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. Peak 4288 from aliabs.peaks (2.02, 2.65, 35.98 ppm; 3.99 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLN 134 + HG2 GLN 134 OK 100 100 100 100 2.8-3.0 2.9=100 HG3 ARG 135 - HG2 GLN 134 far 0 96 0 - 6.2-7.9 HB ILE 129 - HG2 GLN 134 far 0 87 0 - 7.2-8.2 HG3 PRO 81 - HG2 GLN 134 far 0 60 0 - 7.3-9.5 HG2 PRO 81 - HG2 GLN 134 far 0 93 0 - 8.2-10.0 HB2 GLN 127 - HG2 GLN 134 far 0 63 0 - 9.0-10.9 HB2 PRO 81 - HG2 GLN 134 far 0 48 0 - 9.4-12.2 HB3 GLU 40 - HG2 GLN 134 far 0 100 0 - 9.5-10.7 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 4 assignments used, quality = 1.00: * HB3 GLN 134 + HG2 GLN 134 OK 100 100 100 100 2.3-2.9 2.9=100 HG2 GLN 127 - HG2 GLN 134 far 0 93 0 - 8.8-11.1 HG2 GLU 128 - HG2 GLN 134 far 0 96 0 - 9.3-11.7 HG2 GLU 44 - HG2 GLN 134 far 0 95 0 - 9.6-11.3 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 7 assignments used, quality = 1.00: * HG3 GLN 134 + HG2 GLN 134 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 39 - HG2 GLN 134 far 0 100 0 - 5.7-8.1 HG3 PRO 81 - HG2 GLN 134 far 0 65 0 - 7.3-9.5 HB2 GLN 127 - HG2 GLN 134 far 0 63 0 - 9.0-10.9 HB2 PRO 81 - HG2 GLN 134 far 0 88 0 - 9.4-12.2 HB3 GLN 82 - HG2 GLN 134 far 0 95 0 - 9.6-12.9 HB2 GLU 128 - HG2 GLN 134 far 0 100 0 - 9.9-11.4 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 2 assignments used, quality = 1.00: * HA GLN 134 + HG3 GLN 134 OK 100 100 100 100 2.4-3.8 4262=100, 4261/1.8=80...(15) HA ASP 47 - HG3 GLN 134 far 0 90 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. Peak 4297 from aliabs.peaks (2.02, 2.08, 35.98 ppm; 4.74 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLN 134 + HG3 GLN 134 OK 100 100 100 100 2.2-2.9 2.9=100 HG3 ARG 135 - HG3 GLN 134 far 5 96 5 - 5.2-8.4 HB ILE 129 - HG3 GLN 134 far 0 87 0 - 7.6-9.0 HG3 PRO 81 - HG3 GLN 134 far 0 60 0 - 8.2-10.4 HG2 PRO 81 - HG3 GLN 134 far 0 93 0 - 8.4-10.4 HB2 GLN 127 - HG3 GLN 134 far 0 63 0 - 8.6-11.5 HB3 GLU 40 - HG3 GLN 134 far 0 100 0 - 9.0-12.4 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 128 - HG3 GLN 134 far 0 96 0 - 8.4-10.9 HG2 GLN 127 - HG3 GLN 134 far 0 93 0 - 9.0-11.0 HG2 GLU 44 - HG3 GLN 134 far 0 95 0 - 9.5-12.9 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 3 assignments used, quality = 1.00: * HB2 ARG 135 + HA ARG 135 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 48 - HA GLN 68 far 0 74 0 - 8.3-9.4 HB3 ARG 84 - HA ARG 135 far 0 92 0 - 8.6-10.5 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 3 assignments used, quality = 1.00: * HB3 ARG 135 + HA ARG 135 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 ARG 84 - HA ARG 135 far 0 98 0 - 7.5-10.7 HB2 LEU 100 - HA GLN 68 far 0 75 0 - 9.7-10.2 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 6 assignments used, quality = 1.00: * HG2 ARG 135 + HA ARG 135 OK 100 100 100 100 2.4-3.6 4329=93, 1.8/4309=69...(15) HB3 LEU 70 - HA GLN 68 far 0 67 0 - 4.8-5.2 HB2 LEU 70 - HA GLN 68 far 0 75 0 - 5.9-6.1 HD3 LYS 39 - HA ARG 135 far 0 96 0 - 7.3-9.7 HD2 LYS 39 - HA ARG 135 far 0 76 0 - 8.1-10.9 HG LEU 48 - HA GLN 68 far 0 68 0 - 8.9-11.3 Violated in 1 structures by 0.00 A. Peak 4309 from aliabs.peaks (2.03, 4.02, 58.76 ppm; 3.79 A increased from 3.56 A): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 135 + HA ARG 135 OK 100 100 100 100 3.1-3.8 1.8/4308=86, 4.2=75...(14) HB2 GLN 134 - HA ARG 135 far 10 96 10 - 4.2-4.9 HG2 PRO 81 - HA ARG 135 far 0 68 0 - 6.4-10.5 HG3 PRO 81 - HA ARG 135 far 0 89 0 - 6.9-9.4 HB2 PRO 81 - HA ARG 135 far 0 58 0 - 8.8-12.2 QE MET 11 - HA ARG 135 far 0 100 0 - 8.9-45.9 Violated in 1 structures by 0.00 A. Peak 4310 from aliabs.peaks (2.92, 4.02, 58.76 ppm; 4.39 A): 1 out of 4 assignments used, quality = 1.00: * HD2 ARG 135 + HA ARG 135 OK 100 100 100 100 2.1-4.4 4345=100, 3.0/4308=82...(18) HE3 LYS 39 - HA ARG 135 far 0 100 0 - 6.2-8.9 HB2 CYS 45 - HA GLN 68 far 0 71 0 - 6.4-6.7 HE2 LYS 39 - HA ARG 135 far 0 100 0 - 6.9-10.3 Violated in 0 structures by 0.00 A. Peak 4311 from aliabs.peaks (3.23, 4.02, 58.76 ppm; 4.55 A): 1 out of 4 assignments used, quality = 1.00: * HD3 ARG 135 + HA ARG 135 OK 100 100 100 100 3.3-4.4 4353=100, 3.0/4308=85...(17) HB2 HIS 5 - HA ARG 135 far 5 100 5 - 5.1-68.5 HB3 HIS 8 - HA ARG 135 far 0 78 0 - 6.7-57.9 HB3 HIS 4 - HA ARG 135 far 0 100 0 - 7.4-72.5 Violated in 0 structures by 0.00 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 2.4-3.0 3.0=100 HD3 PRO 81 - HB2 ARG 135 far 0 85 0 - 6.4-11.0 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 0 98 0 - 5.1-8.3 HB2 LYS 86 - HB2 ARG 135 far 0 73 0 - 9.9-12.4 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 3 assignments used, quality = 1.00: * HG2 ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 39 - HB2 ARG 135 far 0 96 0 - 6.8-10.7 HD2 LYS 39 - HB2 ARG 135 far 0 76 0 - 8.6-12.0 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 7 assignments used, quality = 1.00: * HG3 ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 PRO 81 - HB2 ARG 135 far 3 68 5 - 4.1-10.1 HG3 PRO 81 - HB2 ARG 135 far 0 89 0 - 5.1-9.0 HB2 GLN 134 - HB2 ARG 135 far 0 96 0 - 6.3-7.0 HB2 PRO 81 - HB2 ARG 135 far 0 58 0 - 6.9-11.4 QE MET 11 - HB2 ARG 135 far 0 100 0 - 7.7-45.5 HB3 MET 11 - HB2 ARG 135 far 0 83 0 - 8.2-51.4 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 2.0-4.2 3.7=100 HE3 LYS 39 - HB2 ARG 135 far 0 100 0 - 7.1-10.6 HE2 LYS 39 - HB2 ARG 135 far 0 100 0 - 7.5-11.7 Violated in 1 structures by 0.00 A. Peak 4319 from aliabs.peaks (3.23, 1.89, 30.87 ppm; 4.04 A): 1 out of 6 assignments used, quality = 1.00: * HD3 ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.0-3.7 3.7=100 HB2 HIS 5 - HB2 ARG 135 far 0 100 0 - 6.9-68.5 HB3 HIS 8 - HB2 ARG 135 far 0 78 0 - 7.5-58.6 HB2 PHE 87 - HB2 ARG 135 far 0 99 0 - 9.6-12.8 HB3 HIS 4 - HB2 ARG 135 far 0 100 0 - 9.8-73.3 HB3 PHE 87 - HB2 ARG 135 far 0 100 0 - 9.9-13.6 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 5 assignments used, quality = 1.00: * HA ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.5-3.0 3.0=100 HA VAL 20 - HB3 ARG 23 poor 15 51 30 - 2.5-6.7 HD3 PRO 81 - HB3 ARG 135 far 0 85 0 - 6.9-9.3 HA LYS 95 - HB VAL 93 far 0 51 0 - 7.4-7.6 HA LEU 122 - HB VAL 93 far 0 35 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 4322 from aliabs.peaks (1.89, 1.82, 30.87 ppm; 3.46 A): 1 out of 4 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 far 0 32 0 - 4.7-5.2 HB3 ARG 84 - HB3 ARG 135 far 0 92 0 - 6.3-8.5 HB2 MET 11 - HB VAL 93 far 0 25 0 - 7.0-39.5 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 6 assignments used, quality = 1.00: * HG2 ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 LYS 39 - HB3 ARG 135 far 0 96 0 - 6.9-9.5 HD2 LYS 39 - HB3 ARG 135 far 0 76 0 - 7.9-10.5 HB2 LEU 70 - HB VAL 93 far 0 52 0 - 7.9-8.5 HG LEU 98 - HB VAL 93 far 0 50 0 - 8.5-10.0 HB3 LEU 70 - HB VAL 93 far 0 46 0 - 8.5-9.2 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 13 assignments used, quality = 1.00: * HG3 ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.2-2.6 2.9=100 HG2 ARG 90 - HB VAL 93 far 7 49 15 - 4.1-5.1 HG2 PRO 81 - HB3 ARG 135 far 0 68 0 - 4.6-8.4 HG3 PRO 81 - HB3 ARG 135 far 0 89 0 - 5.3-7.4 HB2 GLN 134 - HB3 ARG 135 far 0 96 0 - 5.7-7.1 HB3 GLU 91 - HB VAL 93 far 0 53 0 - 7.2-7.6 HB2 PRO 81 - HB3 ARG 135 far 0 58 0 - 7.5-9.7 QE MET 11 - HB VAL 93 far 0 52 0 - 8.0-34.8 HB3 MET 11 - HB VAL 93 far 0 38 0 - 8.4-39.1 QE MET 11 - HB3 ARG 135 far 0 100 0 - 8.5-44.5 HB3 MET 11 - HB3 ARG 135 far 0 83 0 - 9.2-50.2 HB3 GLU 30 - HB3 ARG 23 far 0 62 0 - 9.5-20.3 HB2 PRO 81 - HB3 ARG 23 far 0 44 0 - 9.8-29.4 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 3.1-4.1 3.7=100 HE2 LYS 24 - HB3 ARG 23 far 3 51 5 - 4.7-9.9 HE3 LYS 39 - HB3 ARG 135 far 0 100 0 - 5.8-10.2 HE3 LYS 24 - HB3 ARG 23 far 0 64 0 - 6.1-9.9 HE3 LYS 31 - HB3 ARG 23 far 0 51 0 - 6.4-22.1 HE2 LYS 39 - HB3 ARG 135 far 0 100 0 - 6.6-10.5 HE3 LYS 86 - HB VAL 93 far 0 25 0 - 8.5-11.1 HE3 LYS 86 - HB3 ARG 23 far 0 46 0 - 8.7-27.3 HE3 LYS 86 - HB3 ARG 135 far 0 60 0 - 9.6-13.2 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 2.2-4.2 3.7=100 HA VAL 93 + HB VAL 93 OK 36 36 100 100 3.0-3.0 3.0=100 HB2 HIS 5 - HB3 ARG 135 far 0 100 0 - 8.0-67.3 HB3 HIS 10 - HB3 ARG 23 far 0 81 0 - 8.6-33.7 HB3 HIS 8 - HB3 ARG 135 far 0 78 0 - 8.6-57.4 HB3 PHE 87 - HB VAL 93 far 0 53 0 - 9.6-10.1 HB2 PHE 87 - HB3 ARG 135 far 0 99 0 - 9.7-12.5 HB3 HIS 4 - HB3 ARG 135 far 0 100 0 - 9.7-72.1 HB3 HIS 10 - HB VAL 93 far 0 48 0 - 9.9-38.3 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 2.4-3.6 4308=100, 4309/1.8=77...(15) HD3 PRO 81 - HG2 ARG 135 far 0 85 0 - 7.6-10.6 Violated in 0 structures by 0.00 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 2.3-3.0 2.9=100 HB3 ARG 84 - HG2 ARG 135 far 0 92 0 - 5.5-9.2 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 2.4-3.0 2.9=100 HB2 ARG 84 - HG2 ARG 135 far 0 98 0 - 4.6-9.5 HB2 LYS 86 - HG2 ARG 135 far 0 73 0 - 8.9-12.3 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): 1 out of 7 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 0 96 0 - 4.4-7.8 HG2 PRO 81 - HG2 ARG 135 far 0 68 0 - 6.0-10.1 HG3 PRO 81 - HG2 ARG 135 far 0 89 0 - 6.4-9.3 QE MET 11 - HG2 ARG 135 far 0 100 0 - 7.8-43.9 HB2 PRO 81 - HG2 ARG 135 far 0 58 0 - 8.6-11.6 HB3 MET 11 - HG2 ARG 135 far 0 83 0 - 9.7-49.6 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 2.3-3.0 3.0=100 HE3 LYS 39 - HG2 ARG 135 far 0 100 0 - 6.5-9.2 HE2 LYS 39 - HG2 ARG 135 far 0 100 0 - 6.6-10.2 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 6 assignments used, quality = 1.00: * HD3 ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 HIS 8 - HG2 ARG 135 far 0 78 0 - 7.1-55.8 HB2 HIS 5 - HG2 ARG 135 far 0 100 0 - 7.9-65.9 HB3 HIS 4 - HG2 ARG 135 far 0 100 0 - 9.5-70.5 HB2 PHE 87 - HG2 ARG 135 far 0 99 0 - 9.5-11.8 HB3 PHE 87 - HG2 ARG 135 far 0 100 0 - 10.0-12.4 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 11 assignments used, quality = 1.00: * HA ARG 135 + HG3 ARG 135 OK 100 100 100 100 3.1-3.8 4309=100, 4308/1.8=89...(14) HD3 PRO 81 + HG3 PRO 81 OK 52 52 100 100 2.3-3.0 2.3=100 HB3 SER 99 - HG2 PRO 117 far 0 44 0 - 6.3-7.7 HA ARG 135 - HG3 PRO 81 far 0 70 0 - 6.9-9.4 HA LEU 103 - HG2 PRO 117 far 0 61 0 - 7.0-7.6 HA LEU 119 - HG2 PRO 117 far 0 58 0 - 7.7-8.0 HD3 PRO 81 - HG3 ARG 135 far 0 85 0 - 7.9-9.3 HB3 SER 99 - HG3 PRO 117 far 0 44 0 - 8.0-9.4 HA LEU 103 - HG3 PRO 117 far 0 61 0 - 8.5-9.2 HA LEU 119 - HG3 PRO 117 far 0 58 0 - 9.1-9.3 HB2 SER 38 - HG3 PRO 81 far 0 60 0 - 9.8-12.3 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 7 assignments used, quality = 1.00: * HB2 ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 135 - HG3 PRO 81 far 0 70 0 - 5.1-9.0 HB3 ARG 84 - HG3 ARG 135 far 0 92 0 - 6.1-8.3 HB3 LEU 119 - HG2 PRO 117 far 0 50 0 - 7.2-7.5 HB3 LEU 119 - HG3 PRO 117 far 0 50 0 - 8.1-8.4 HB3 ARG 84 - HG3 PRO 81 far 0 58 0 - 8.6-12.3 HB2 MET 11 - HG3 ARG 135 far 0 60 0 - 9.8-49.4 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 10 assignments used, quality = 1.00: * HB3 ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.2-2.6 2.9=100 HB2 ARG 84 - HG3 ARG 135 far 0 98 0 - 5.2-8.1 HB3 ARG 135 - HG3 PRO 81 far 0 70 0 - 5.3-7.4 HB2 CYS 79 - HG3 PRO 81 far 0 62 0 - 6.3-8.2 HB2 ARG 84 - HG3 PRO 81 far 0 65 0 - 7.1-10.6 HB2 LYS 86 - HG3 PRO 81 far 0 44 0 - 7.6-11.1 HB2 LYS 86 - HG3 ARG 135 far 0 73 0 - 8.4-10.6 HB3 LEU 103 - HG2 PRO 117 far 0 36 0 - 8.9-9.7 HB3 LEU 122 - HG2 PRO 117 far 0 31 0 - 9.5-10.6 HB3 LYS 19 - HG3 PRO 81 far 0 63 0 - 9.6-37.9 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 7 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 far 3 62 5 - 3.7-7.5 HD2 LYS 39 - HG3 PRO 81 far 0 45 0 - 5.3-8.3 HG2 ARG 135 - HG3 PRO 81 far 0 70 0 - 6.4-9.3 HD3 LYS 39 - HG3 ARG 135 far 0 96 0 - 7.9-10.3 HD2 LYS 39 - HG3 ARG 135 far 0 76 0 - 9.0-11.1 HG LEU 98 - HG2 PRO 117 far 0 58 0 - 9.7-13.5 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): 1 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 - HG2 PRO 117 far 9 59 15 - 4.1-5.1 HE2 LYS 39 - HG3 PRO 81 far 0 69 0 - 4.6-9.3 HB3 ASN 116 - HG3 PRO 117 far 0 59 0 - 4.9-6.0 HE3 LYS 39 - HG3 PRO 81 far 0 69 0 - 5.1-8.9 HE3 LYS 39 - HG3 ARG 135 far 0 100 0 - 6.8-10.3 HE2 LYS 39 - HG3 ARG 135 far 0 100 0 - 7.0-10.6 HE3 LYS 86 - HG3 PRO 81 far 0 35 0 - 7.2-12.1 HD2 ARG 135 - HG3 PRO 81 far 0 70 0 - 8.1-11.0 HE3 LYS 86 - HG3 ARG 135 far 0 60 0 - 8.7-11.9 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 HB2 HIS 5 - HG2 PRO 117 far 3 61 5 - 4.5-59.9 HB2 HIS 5 - HG3 PRO 117 far 0 61 0 - 5.0-61.5 HB3 HIS 8 - HG3 ARG 135 far 0 78 0 - 7.2-56.2 HD3 ARG 135 - HG3 PRO 81 far 0 70 0 - 7.9-10.8 HB3 HIS 4 - HG3 PRO 117 far 0 61 0 - 8.3-62.6 HB2 PHE 87 - HG3 ARG 135 far 0 99 0 - 8.3-10.7 HB3 HIS 4 - HG2 PRO 117 far 0 61 0 - 8.4-61.0 HB3 PHE 87 - HG3 ARG 135 far 0 100 0 - 8.4-11.4 HB2 HIS 5 - HG3 ARG 135 far 0 100 0 - 8.4-66.1 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 2.1-4.4 4310=96, 4308/3.0=80...(18) HD3 PRO 81 - HD2 ARG 135 far 0 85 0 - 9.9-12.2 Violated in 1 structures by 0.00 A. Peak 4346 from aliabs.peaks (1.89, 2.92, 44.19 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.0-4.2 3.7=100 HB3 ARG 84 - HD2 ARG 135 far 0 92 0 - 5.4-9.6 HB2 MET 11 - HD2 ARG 135 far 0 60 0 - 7.5-51.5 Violated in 1 structures by 0.02 A. Peak 4347 from aliabs.peaks (1.82, 2.92, 44.19 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 135 + HD2 ARG 135 OK 100 100 100 100 3.1-4.1 3.7=100 HB2 ARG 84 - HD2 ARG 135 far 0 98 0 - 4.7-8.8 Violated in 4 structures by 0.04 A. Peak 4348 from aliabs.peaks (1.70, 2.92, 44.19 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 - HD2 ARG 135 far 0 96 0 - 9.0-12.2 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 7 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 0 96 0 - 5.7-8.4 QE MET 11 - HD2 ARG 135 far 0 100 0 - 6.0-45.1 HB3 MET 11 - HD2 ARG 135 far 0 83 0 - 6.8-50.9 HG2 PRO 81 - HD2 ARG 135 far 0 68 0 - 7.6-11.7 HG3 PRO 81 - HD2 ARG 135 far 0 89 0 - 8.1-11.0 HB2 GLN 127 - HD2 ARG 135 far 0 90 0 - 10.0-14.0 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 7 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 8 - HD2 ARG 135 far 0 78 0 - 5.1-58.3 HB2 HIS 5 - HD2 ARG 135 far 0 100 0 - 6.0-68.3 HB3 HIS 4 - HD2 ARG 135 far 0 100 0 - 8.6-73.0 HB3 PHE 87 - HD2 ARG 135 far 0 100 0 - 8.8-13.5 HB2 PHE 87 - HD2 ARG 135 far 0 99 0 - 8.8-13.0 HB3 HIS 10 - HD2 ARG 135 far 0 97 0 - 9.5-51.5 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 3.3-4.4 4311=88, 4308/3.0=81...(17) HD3 PRO 81 - HD3 ARG 135 far 0 85 0 - 9.8-11.5 Violated in 4 structures by 0.01 A. Peak 4354 from aliabs.peaks (1.89, 3.23, 44.19 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.0-3.7 3.7=100 HB3 ARG 84 - HD3 ARG 135 far 0 92 0 - 5.7-8.1 HB2 MET 11 - HD3 ARG 135 far 0 60 0 - 8.2-50.0 Violated in 0 structures by 0.00 A. Peak 4355 from aliabs.peaks (1.82, 3.23, 44.19 ppm; 4.25 A increased from 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.2-4.2 3.7=100 HB2 ARG 84 - HD3 ARG 135 far 0 98 0 - 5.0-7.5 HB2 LYS 86 - HD3 ARG 135 far 0 73 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 4356 from aliabs.peaks (1.70, 3.23, 44.19 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 39 - HD3 ARG 135 far 0 96 0 - 9.9-12.2 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 6 assignments used, quality = 1.00: * HG3 ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 QE MET 11 - HD3 ARG 135 far 0 100 0 - 5.7-43.8 HB2 GLN 134 - HD3 ARG 135 far 0 96 0 - 6.9-8.6 HG2 PRO 81 - HD3 ARG 135 far 0 68 0 - 7.4-11.3 HB3 MET 11 - HD3 ARG 135 far 0 83 0 - 7.6-49.4 HG3 PRO 81 - HD3 ARG 135 far 0 89 0 - 7.9-10.8 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 3 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 - 8.8-11.7 HE2 LYS 39 - HD3 ARG 135 far 0 100 0 - 8.8-12.6 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 2 assignments used, quality = 1.00: * HA HIS 67 + HD2 HIS 67 OK 100 100 100 100 2.1-2.2 4.7=100 HA SER 99 - HD2 HIS 67 far 0 89 0 - 8.9-9.5 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 2 assignments used, quality = 1.00: * HB2 HIS 67 + HD2 HIS 67 OK 100 100 100 100 3.5-3.8 4.0=100 HA VAL 63 + HD2 HIS 67 OK 83 83 100 100 5.0-5.5 3.2/9470=100...(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 1 assignment used, quality = 1.00: * HB3 HIS 67 + HD2 HIS 67 OK 100 100 100 100 3.6-3.8 4.0=100 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 2.0-2.6 3.4=100 HA SER 38 - QD TYR 72 far 0 100 0 - 6.9-7.5 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 2.3-2.6 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 2 assignments used, quality = 1.00: * HB3 TYR 72 + QD TYR 72 OK 100 100 100 100 2.3-2.7 2.7=100 HB2 HIS 67 - QD TYR 72 far 0 100 0 - 7.5-8.5 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 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 68 - QD TYR 72 far 0 96 0 - 4.5-7.1 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 - 9.6-10.7 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 2.3-2.5 2.6=100 HB2 CYS 73 + QD TYR 76 OK 57 71 80 100 6.4-7.6 3.0/11146=93, ~11160=68...(10) 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 5 assignments used, quality = 1.00: * HB3 TYR 76 + QD TYR 76 OK 100 100 100 100 2.3-2.5 2.6=100 HD3 ARG 90 - QD TYR 76 far 0 57 0 - 7.4-9.2 HB3 CYS 45 - QD TYR 76 far 0 90 0 - 9.3-10.1 HD3 ARG 23 - QD TYR 76 far 0 68 0 - 9.7-25.7 HD2 ARG 23 - QD TYR 76 far 0 60 0 - 10.0-25.5 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 7 assignments used, quality = 1.00: * HA PHE 87 + QD PHE 87 OK 100 100 100 100 2.9-3.6 3.7=100 HA ARG 84 + QD PHE 87 OK 61 73 100 83 2.1-4.8 9782/9776=32...(12) HA ALA 12 - QD PHE 87 far 9 92 10 - 4.1-38.5 HA ALA 16 - QD PHE 87 far 0 99 0 - 5.6-39.1 HA ALA 15 - QD PHE 87 far 0 98 0 - 6.4-39.8 HA THR 18 - QD PHE 87 far 0 97 0 - 7.7-34.3 HA ALA 21 - QD PHE 87 far 0 71 0 - 9.7-31.1 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 4 assignments used, quality = 1.00: * HB2 PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-2.4 2.5=100 HB3 PHE 87 + QD PHE 87 OK 99 99 100 100 2.4-2.5 2.5=100 HB3 HIS 10 - QD PHE 87 far 0 87 0 - 6.3-43.0 HD3 ARG 135 - QD PHE 87 far 0 99 0 - 7.7-11.1 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 4 assignments used, quality = 1.00: * HB3 PHE 87 + QD PHE 87 OK 100 100 100 100 2.4-2.5 2.5=100 HB2 PHE 87 + QD PHE 87 OK 99 99 100 100 2.3-2.4 2.5=100 HB3 HIS 10 - QD PHE 87 far 0 97 0 - 6.3-43.0 HD3 ARG 135 - QD PHE 87 far 0 100 0 - 7.7-11.1 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 3 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 - 4.6-6.9 HD2 HIS 10 - QD PHE 87 far 0 96 0 - 8.5-46.3 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 0 81 0 - 6.1-11.3 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 2.6-3.2 3.1=100 HB3 SER 74 - QD PHE 89 far 0 68 0 - 6.8-8.0 HA CYS 79 - QD PHE 89 far 0 83 0 - 8.7-9.2 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 2.3-2.5 2.7=100 HB3 CYS 73 + QD PHE 89 OK 98 99 100 100 3.7-4.4 ~11145=76, ~11124=71...(12) HB3 PHE 89 + QD PHE 89 OK 81 81 100 100 2.3-2.6 2.7=100 HB3 TYR 72 - QD PHE 89 far 0 76 0 - 7.5-8.0 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 2.3-2.6 2.7=100 HB2 PHE 89 + QD PHE 89 OK 81 81 100 100 2.3-2.5 2.7=100 HB3 CYS 73 + QD PHE 89 OK 59 60 100 98 3.7-4.4 ~11145=69, ~11124=64...(12) HB3 TYR 72 - QD PHE 89 far 0 100 0 - 7.5-8.0 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 - 6.8-7.4 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 - 8.5-9.3 QD PHE 87 - QE PHE 89 far 0 96 0 - 9.3-10.0 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 = 0.68: QD1 LEU 42 + QG2 ILE 37 OK 68 68 100 100 2.6-3.1 4.1/10826=52...(18) QD1 LEU 100 - QG2 ILE 37 far 0 98 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 9003 from aliabs.peaks (4.21, 1.97, 37.79 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 34 + HB ILE 37 OK 100 100 100 100 3.2-3.7 10789=100, 10873/3.2=62...(9) HB3 SER 38 - HB ILE 37 far 0 100 0 - 5.3-6.4 Violated in 0 structures by 0.00 A. Peak 9004 from aliabs.peaks (4.22, 0.93, 17.29 ppm; 4.45 A increased from 3.75 A): 2 out of 2 assignments used, quality = 1.00: HA ALA 34 + QG2 ILE 37 OK 99 99 100 100 4.3-4.5 10872=99, 10789/2.1=87...(12) HB3 SER 38 + QG2 ILE 37 OK 49 99 50 99 4.5-5.3 3.9/6423=63...(12) Violated in 0 structures by 0.00 A. Peak 9005 from aliabs.peaks (4.21, 1.27, 27.60 ppm; 4.65 A): 1 out of 4 assignments used, quality = 1.00: HA ALA 34 + HG12 ILE 37 OK 100 100 100 100 1.9-3.4 10871=99, 10873/2.1=93...(12) HB3 SER 38 - HG12 ILE 37 far 0 99 0 - 6.7-8.2 HA ALA 29 - HG12 ILE 37 far 0 87 0 - 9.2-10.4 HB THR 25 - HG12 ILE 37 far 0 83 0 - 9.5-17.4 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 3 assignments used, quality = 1.00: HA ALA 34 + HG13 ILE 37 OK 100 100 100 100 2.3-4.3 10790=99, 10873/2.1=91...(12) HB3 SER 38 - HG13 ILE 37 far 0 99 0 - 7.1-8.6 HB THR 25 - HG13 ILE 37 far 0 83 0 - 8.8-18.9 Violated in 0 structures by 0.00 A. Peak 9007 from aliabs.peaks (4.23, 0.77, 12.40 ppm; 3.99 A): 3 out of 10 assignments used, quality = 1.00: HA ALA 29 + QD1 ILE 32 OK 99 99 100 100 1.9-2.2 2.1/10739=85, 10737=76...(16) HA ALA 34 + QD1 ILE 37 OK 58 58 100 100 1.8-3.7 10873=77, 9003/3.2=52...(14) HA ALA 28 + QD1 ILE 32 OK 52 97 75 71 2.6-5.2 10780=28, 3.6/934=24...(8) HA GLN 27 - QD1 ILE 32 poor 13 93 25 54 1.9-5.8 ~10768=19, ~10758=12...(8) HA GLU 30 - QD1 ILE 32 far 0 87 0 - 5.8-6.4 HA ALA 34 - QD1 ILE 32 far 0 85 0 - 6.1-7.1 HB3 SER 38 - QD1 ILE 37 far 0 60 0 - 6.2-7.1 HA ALA 29 - QD1 ILE 37 far 0 74 0 - 8.5-9.5 HA GLN 27 - QD1 ILE 37 far 0 66 0 - 9.4-14.6 HA HIS 67 - QD1 ILE 37 far 0 45 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 9008 from aliabs.peaks (2.97, 0.77, 12.40 ppm; 4.39 A): 4 out of 14 assignments used, quality = 1.00: HE2 LYS 26 + QD1 ILE 32 OK 97 97 100 100 1.9-4.6 10840/930=60, ~10767=36...(55) HE3 LYS 26 + QD1 ILE 32 OK 94 99 95 100 3.0-5.3 ~10766=38, ~10840=38...(86) HE2 LYS 36 + QD1 ILE 37 OK 64 72 95 93 3.9-5.6 ~10912=30, 3.0/10918=30...(12) HE3 LYS 36 + QD1 ILE 37 OK 64 72 95 93 4.0-6.3 ~10912=30, 3.0/10918=30...(12) HE2 LYS 26 - QD1 ILE 37 far 0 71 0 - 6.1-10.3 HE3 LYS 31 - QD1 ILE 32 far 0 90 0 - 6.8-10.2 HE3 LYS 26 - QD1 ILE 37 far 0 74 0 - 6.9-11.2 HE2 LYS 31 - QD1 ILE 32 far 0 97 0 - 7.1-10.3 HE3 LYS 31 - QD1 ILE 37 far 0 63 0 - 7.5-12.1 HE2 LYS 31 - QD1 ILE 37 far 0 71 0 - 7.6-11.8 HE3 LYS 36 - QD1 ILE 32 far 0 98 0 - 8.2-9.8 HE2 LYS 19 - QD1 ILE 32 far 0 95 0 - 8.5-21.8 HE2 LYS 36 - QD1 ILE 32 far 0 98 0 - 8.5-10.0 HE3 LYS 19 - QD1 ILE 32 far 0 95 0 - 9.7-22.8 Violated in 0 structures by 0.00 A. Peak 9009 from aliabs.peaks (2.31, 0.77, 12.40 ppm; 4.29 A): 0 out of 5 assignments used, quality = 0.00: HG3 GLU 30 - QD1 ILE 32 far 0 100 0 - 6.5-6.9 HG3 GLN 68 - QD1 ILE 37 far 0 74 0 - 6.9-7.7 HB VAL 77 - QD1 ILE 37 far 0 41 0 - 7.1-8.8 HG2 GLU 44 - QD1 ILE 37 far 0 75 0 - 7.5-10.0 HG2 GLU 40 - QD1 ILE 37 far 0 52 0 - 9.3-10.5 Violated in 20 structures by 1.64 A. Peak 9010 from aliabs.peaks (3.00, 0.93, 17.29 ppm; 3.98 A): 1 out of 1 assignment used, quality = 0.85: HB2 TYR 72 + QG2 ILE 37 OK 85 85 100 100 2.0-4.1 1.8/10825=72...(30) Violated in 3 structures by 0.01 A. Peak 9011 from aliabs.peaks (3.11, 0.93, 17.29 ppm; 4.15 A): 1 out of 2 assignments used, quality = 0.83: HB3 TYR 76 + QG2 ILE 37 OK 83 83 100 100 2.1-3.7 1.8/10823=74...(16) HB3 CYS 45 - QG2 ILE 37 far 0 100 0 - 6.7-7.4 Violated in 0 structures by 0.00 A. Peak 9013 from aliabs.peaks (4.52, 4.02, 61.09 ppm; 5.25 A): 2 out of 3 assignments used, quality = 0.95: HA SER 38 + HA ILE 37 OK 78 78 100 100 4.5-4.5 10864/10905=60...(15) HA TYR 72 + HA ILE 37 OK 77 81 95 100 4.9-6.1 10831/1113=77...(19) HA ASP 35 - HA ILE 37 far 0 92 0 - 6.5-7.0 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 TYR 72 + HB ILE 37 OK 99 99 100 100 4.3-5.1 11134/2.1=92...(28) HA SER 38 + HB ILE 37 OK 98 98 100 100 4.1-4.5 3.0/6422=97...(22) HA ASP 35 + HB ILE 37 OK 62 63 100 98 5.5-5.8 3.6/10894=76...(6) 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 = 0.99: HA TYR 72 + QG2 ILE 37 OK 93 93 100 100 2.1-2.9 3.4/9022=47, 3.0/9010=46...(24) HA SER 38 + QG2 ILE 37 OK 90 92 100 98 3.4-3.9 3.0/6423=52...(21) HA ASP 35 - QG2 ILE 37 far 0 78 0 - 6.6-6.8 Violated in 0 structures by 0.00 A. Peak 9016 from aliabs.peaks (4.53, 1.27, 27.60 ppm; 5.05 A): 2 out of 3 assignments used, quality = 0.99: HA TYR 72 + HG12 ILE 37 OK 97 97 100 100 4.4-5.2 10749/2.1=81...(24) HA ASP 35 + HG12 ILE 37 OK 61 68 95 94 4.9-6.4 9012/6415=63...(7) HA SER 38 - HG12 ILE 37 far 0 97 0 - 6.1-6.4 Violated in 0 structures by 0.00 A. Peak 9019 from aliabs.peaks (6.50, 0.93, 17.29 ppm; 3.50 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 76 + QG2 ILE 37 OK 98 100 100 98 1.9-2.5 3.1/10833=47...(18) QE TYR 76 + QG2 ILE 37 OK 66 76 95 92 3.5-4.1 4.7/10833=30...(15) Violated in 0 structures by 0.00 A. Peak 9020 from aliabs.peaks (6.49, 1.97, 37.79 ppm; 4.98 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 76 + HB ILE 37 OK 97 97 100 100 2.3-3.0 10841/3.2=61...(18) QE TYR 76 + HB ILE 37 OK 89 92 100 97 4.4-5.0 ~9019=43, ~9019=42...(11) Violated in 0 structures by 0.00 A. Peak 9021 from aliabs.peaks (6.80, 0.93, 17.29 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 72 + QG2 ILE 37 OK 100 100 100 100 3.2-4.1 2.2/9022=79...(25) HE21 GLN 68 - QG2 ILE 37 far 0 93 0 - 8.1-10.0 Violated in 1 structures by 0.00 A. Peak 9022 from aliabs.peaks (7.14, 0.93, 17.29 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 72 + QG2 ILE 37 OK 100 100 100 100 1.9-3.0 2.2/9021=57, 2.7/9010=52...(44) Violated in 0 structures by 0.00 A. Peak 9023 from aliabs.peaks (8.30, 0.93, 17.29 ppm; 4.94 A): 2 out of 4 assignments used, quality = 0.99: H LEU 43 + QG2 ILE 37 OK 97 98 100 99 5.0-5.5 3.6/10826=68...(7) H TYR 72 + QG2 ILE 37 OK 71 71 100 100 4.3-5.0 3.8/9010=72...(21) H GLU 40 - QG2 ILE 37 far 5 98 5 - 5.4-6.1 H LEU 69 - QG2 ILE 37 far 0 100 0 - 7.8-8.4 Violated in 0 structures by 0.00 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 99 100 100 100 3.2-3.8 1285/10819=83...(6) H GLN 134 - QG2 ILE 37 far 0 100 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 9030 from aliabs.peaks (6.48, 4.00, 64.46 ppm; 5.55 A increased from 4.93 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 76 + HB2 SER 38 OK 98 100 100 98 4.7-5.3 9034/1.8=73, ~9034=40...(8) QD TYR 76 + HB2 SER 38 OK 77 81 100 96 5.4-5.7 ~9034=55, 9034/1.8=45...(7) Violated in 0 structures by 0.00 A. Peak 9032 from aliabs.peaks (6.49, 4.54, 57.72 ppm; 5.18 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 76 + HA SER 38 OK 92 96 100 96 3.1-3.6 9034/3.0=40, ~9034=38...(11) QE TYR 76 + HA SER 38 OK 91 95 100 96 2.1-2.8 9034/3.0=51, 9035/3.6=34...(12) Violated in 0 structures by 0.00 A. Peak 9034 from aliabs.peaks (6.48, 4.21, 64.46 ppm; 4.85 A increased from 4.57 A): 2 out of 2 assignments used, quality = 0.94: QE TYR 76 + HB3 SER 38 OK 92 100 100 92 4.5-4.8 9030/1.8=35, 9032/3.0=27...(9) QD TYR 76 + HB3 SER 38 OK 27 73 40 90 5.2-5.8 9030/1.8=33, 9032/3.0=32...(8) Violated in 0 structures by 0.00 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 97 100 100 2.3-3.1 10558/10578=62, 9625=59...(16) Violated in 0 structures by 0.00 A. Peak 9037 from aliabs.peaks (6.46, 2.08, 32.42 ppm; 5.33 A): 1 out of 2 assignments used, quality = 0.88: QE TYR 76 + HB3 LYS 39 OK 88 89 100 99 3.8-4.5 9036/3.0=78...(10) QE TYR 76 - HB2 PRO 81 poor 18 73 25 - 5.4-6.5 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 2 assignments used, quality = 0.99: QB ALA 41 + HB3 SER 38 OK 99 99 100 100 3.2-3.9 9043/1.8=77...(11) HG3 LYS 39 - HB3 SER 38 far 0 98 0 - 6.1-8.0 Violated in 0 structures by 0.00 A. Peak 9043 from aliabs.peaks (1.18, 4.00, 64.46 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 41 + HB2 SER 38 OK 100 100 100 100 2.1-2.7 9042/1.8=75...(10) HG3 LYS 39 - HB2 SER 38 far 0 90 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 9046 from aliabs.peaks (2.04, 4.21, 64.46 ppm; 6.05 A): 1 out of 4 assignments used, quality = 0.86: HB3 GLU 40 + HB3 SER 38 OK 86 87 100 99 3.2-5.3 4.0/10921=77...(4) HG3 PRO 81 - HB3 SER 38 far 0 97 0 - 8.5-11.5 HB2 PRO 81 - HB3 SER 38 far 0 63 0 - 8.8-10.9 HB2 GLU 44 - HB3 SER 38 far 0 90 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 9053 from aliabs.peaks (0.83, 3.40, 59.63 ppm; 4.73 A): 1 out of 4 assignments used, quality = 0.97: QG1 VAL 133 + HA LYS 39 OK 97 97 100 100 1.9-3.0 10578=96, 10585/10870=65...(22) HG13 ILE 80 - HA LYS 39 far 0 89 0 - 5.8-6.5 QG2 ILE 129 - HA LYS 39 far 0 100 0 - 6.7-7.5 QG2 ILE 80 - HA LYS 39 far 0 93 0 - 7.1-8.2 Violated in 0 structures by 0.00 A. Peak 9054 from aliabs.peaks (1.18, 1.90, 28.21 ppm; 5.74 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 41 + HB2 GLU 40 OK 100 100 100 100 4.9-5.3 10857/1.8=100, 10931=99...(20) HG3 LYS 39 + HB2 GLU 40 OK 27 85 40 80 5.3-7.0 9056/3.0=40, 9059/3.0=30...(5) Violated in 0 structures by 0.00 A. Peak 9055 from aliabs.peaks (0.75, 3.83, 59.43 ppm; 5.05 A increased from 4.49 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 43 + HA GLU 40 OK 100 100 100 100 4.8-5.0 3.2/1245=79, 3.2/1246=64...(18) QD1 ILE 37 - HA GLU 40 far 0 83 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 9056 from aliabs.peaks (1.18, 3.83, 59.43 ppm; 4.77 A increased from 4.49 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 41 + HA GLU 40 OK 99 99 100 100 5.0-5.0 10857/3.0=76...(23) HG3 LYS 39 + HA GLU 40 OK 72 76 95 100 3.9-6.2 11901/9055=49, ~1159=40...(22) Violated in 1 structures by 0.00 A. Peak 9059 from aliabs.peaks (1.18, 2.29, 35.43 ppm; 4.58 A): 2 out of 6 assignments used, quality = 0.58: QB ALA 41 + HG2 GLU 40 OK 45 100 45 100 4.4-6.1 10857/3.0=73...(19) HG3 LYS 39 + HG2 GLU 40 OK 23 85 45 61 4.5-9.2 9056/3.9=24...(7) HG12 ILE 32 - HG3 GLU 30 far 0 37 0 - 6.5-7.9 QG2 THR 25 - HG3 GLU 30 far 0 65 0 - 7.4-12.0 HG12 ILE 32 - HG2 GLU 30 far 0 37 0 - 7.4-8.3 QG2 THR 25 - HG2 GLU 30 far 0 65 0 - 7.8-12.3 Violated in 13 structures by 0.05 A. Peak 9061 from aliabs.peaks (8.30, 1.18, 17.90 ppm; 4.66 A): 3 out of 5 assignments used, quality = 0.99: H GLU 40 + QB ALA 41 OK 88 89 100 100 4.2-4.4 6463/3.0=66...(15) H LEU 43 + QB ALA 41 OK 88 89 100 100 4.6-4.9 3.9/1285=70, 3.6/9066=55...(14) H GLU 44 + QB ALA 41 OK 60 63 100 96 5.0-5.2 1279/2.1=44...(11) H TYR 72 - QB ALA 41 far 0 89 0 - 6.5-7.3 H LEU 69 - QB ALA 41 far 0 99 0 - 8.6-9.4 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 3.7-4.2 2.2/9551=73...(14) Violated in 0 structures by 0.00 A. Peak 9063 from aliabs.peaks (6.80, 1.18, 17.90 ppm; 4.14 A increased from 3.68 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 72 + QB ALA 41 OK 100 100 100 100 3.7-4.0 9551=100, 2.2/9062=69...(14) HE21 GLN 68 - QB ALA 41 far 0 90 0 - 7.6-9.2 Violated in 0 structures by 0.00 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 2.2-4.8 3.0/1409=84, 1.8/9065=59...(12) 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 3 assignments used, quality = 0.84: HG2 GLU 44 + HA ALA 41 OK 76 76 100 100 3.1-3.4 3.0/1409=78, 1.8/9064=71...(13) HG2 GLU 40 + HA ALA 41 OK 35 100 35 100 3.9-6.5 3.0/1280=54, 9059/2.1=48...(21) HG3 GLN 68 - HA ALA 41 far 0 68 0 - 8.0-9.3 Violated in 0 structures by 0.00 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 3.7-3.9 9073=94, 2.8/1285=89...(8) HA VAL 77 - QB ALA 41 far 0 81 0 - 9.9-10.5 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 4 assignments used, quality = 0.99: QG2 ILE 37 + QB ALA 41 OK 99 99 100 100 2.0-3.2 10819=99, 1094/9070=45...(19) QD1 LEU 48 - QB ALA 41 far 0 85 0 - 6.9-7.9 QD1 LEU 49 - QB ALA 41 far 0 90 0 - 8.4-9.0 QG1 VAL 126 - QB ALA 41 far 0 63 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 9070 from aliabs.peaks (0.78, 1.18, 17.90 ppm; 4.00 A increased from 3.77 A): 1 out of 3 assignments used, quality = 0.94: QD1 ILE 37 + QB ALA 41 OK 94 99 95 99 3.6-4.6 1094/10819=76...(10) QD2 LEU 96 - QB ALA 41 far 0 68 0 - 9.2-9.9 QG1 VAL 93 - QB ALA 41 far 0 71 0 - 9.8-10.4 Violated in 2 structures by 0.03 A. Peak 9072 from aliabs.peaks (1.00, 3.47, 59.85 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.98: QD1 LEU 69 + HA LEU 42 OK 98 99 100 100 3.6-4.2 11039/3.9=68, 11059=59...(10) Violated in 0 structures by 0.00 A. Peak 9073 from aliabs.peaks (1.17, 3.47, 59.85 ppm; 4.94 A): 1 out of 4 assignments used, quality = 0.99: QB ALA 41 + HA LEU 42 OK 99 99 100 100 3.7-3.9 9066=98, 1285/2.8=88...(8) HG3 LYS 39 - HA LEU 42 far 0 99 0 - 7.2-8.2 QG2 VAL 77 - HA LEU 42 far 0 87 0 - 9.6-10.3 QG2 VAL 132 - HA LEU 42 far 0 63 0 - 10.0-10.8 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 2 assignments used, quality = 0.80: HB3 GLU 44 + HA LEU 42 OK 80 90 100 88 4.7-6.4 1409/4.9=67, 4.7/1294=53 HB3 LYS 39 - HA LEU 42 far 0 78 0 - 8.2-8.4 Violated in 3 structures by 0.07 A. Peak 9078 from aliabs.peaks (1.01, 1.49, 28.46 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 69 + HG LEU 42 OK 100 100 100 100 2.3-2.8 11039/2.1=94...(21) Violated in 0 structures by 0.00 A. Peak 9079 from aliabs.peaks (0.28, 0.63, 27.44 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + QD1 LEU 42 OK 99 100 100 100 3.8-4.3 11424/11800=53...(20) QD1 ILE 80 + QD1 LEU 42 OK 86 87 100 99 4.2-4.7 10588/11676=61...(16) Violated in 0 structures by 0.00 A. Peak 9080 from aliabs.peaks (0.28, 0.56, 24.08 ppm; 4.62 A increased from 4.11 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + QD2 LEU 42 OK 96 98 100 98 4.5-4.9 11424/11891=60...(14) QD1 ILE 80 + QD2 LEU 42 OK 93 93 100 99 4.2-4.7 10588/10587=75...(15) Violated in 0 structures by 0.00 A. Peak 9081 from aliabs.peaks (0.83, 0.56, 24.08 ppm; 2.93 A increased from 2.75 A): 2 out of 7 assignments used, quality = 1.00: QG1 VAL 133 + QD2 LEU 42 OK 98 98 100 100 2.6-2.9 2.1/10587=53, 10585=53...(31) QG2 ILE 129 + QD2 LEU 42 OK 97 99 100 98 2.4-3.3 10486=75, 9083/2.1=49...(19) HG13 ILE 80 - QD2 LEU 42 far 0 87 0 - 4.8-5.8 QG2 ILE 80 - QD2 LEU 42 far 0 92 0 - 6.4-7.3 QD2 LEU 70 - QD2 LEU 42 far 0 65 0 - 6.9-7.4 QD1 LEU 70 - QD2 LEU 42 far 0 87 0 - 7.9-8.7 QD1 LEU 122 - QD2 LEU 42 far 0 73 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 9082 from aliabs.peaks (1.02, 0.56, 24.08 ppm; 2.84 A): 2 out of 2 assignments used, quality = 0.98: QD1 LEU 69 + QD2 LEU 42 OK 89 93 100 95 2.9-3.3 11039=49, 11063/9177=26...(21) QG2 VAL 133 + QD2 LEU 42 OK 82 83 100 99 1.8-2.1 10587=50, 2.1/10585=42...(25) Violated in 0 structures by 0.00 A. Peak 9083 from aliabs.peaks (0.83, 0.63, 27.44 ppm; 3.44 A): 1 out of 8 assignments used, quality = 0.98: QG2 ILE 129 + QD1 LEU 42 OK 98 100 100 98 2.6-3.8 10486/2.1=72, 4142=46...(21) QG1 VAL 133 - QD1 LEU 42 far 0 97 0 - 4.1-4.7 HG13 ILE 80 - QD1 LEU 42 far 0 90 0 - 4.8-6.1 QD2 LEU 70 - QD1 LEU 42 far 0 60 0 - 5.5-6.0 QD1 LEU 70 - QD1 LEU 42 far 0 90 0 - 6.3-7.0 QG2 ILE 80 - QD1 LEU 42 far 0 95 0 - 6.6-7.4 QD1 LEU 122 - QD1 LEU 42 far 0 78 0 - 8.0-9.8 QG2 ILE 32 - QD1 LEU 42 far 0 97 0 - 9.2-9.7 Violated in 3 structures by 0.02 A. Peak 9084 from aliabs.peaks (1.02, 0.63, 27.44 ppm; 3.47 A): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 133 + QD1 LEU 42 OK 89 89 100 100 3.1-3.5 11676=77, 10587/2.1=60...(27) QD1 LEU 69 + QD1 LEU 42 OK 88 89 100 99 2.4-2.9 11039/2.1=57...(27) Violated in 0 structures by 0.00 A. Peak 9085 from aliabs.peaks (1.65, 0.56, 24.08 ppm; 3.66 A): 1 out of 5 assignments used, quality = 0.97: HG LEU 43 + QD2 LEU 42 OK 97 100 100 97 2.6-3.6 2.1/9129=67...(7) HB2 LEU 69 - QD2 LEU 42 far 0 100 0 - 5.8-6.3 QB ALA 88 - QD2 LEU 42 far 0 92 0 - 7.9-8.3 HD3 LYS 36 - QD2 LEU 42 far 0 95 0 - 9.3-10.1 HD2 LYS 86 - QD2 LEU 42 far 0 99 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 9086 from aliabs.peaks (2.00, 0.56, 24.08 ppm; 4.52 A): 1 out of 8 assignments used, quality = 1.00: HB ILE 129 + QD2 LEU 42 OK 100 100 100 100 3.2-4.6 2.1/10486=96, ~9083=63...(12) HB ILE 37 - QD2 LEU 42 far 0 60 0 - 6.2-7.0 HB3 GLU 40 - QD2 LEU 42 far 0 73 0 - 7.3-7.6 HB2 GLN 134 - QD2 LEU 42 far 0 76 0 - 7.4-7.9 HG2 PRO 81 - QD2 LEU 42 far 0 98 0 - 7.5-8.5 HB2 GLU 44 - QD2 LEU 42 far 0 68 0 - 7.6-7.9 HG2 ARG 90 - QD2 LEU 42 far 0 71 0 - 7.7-9.0 HB2 PRO 81 - QD2 LEU 42 far 0 32 0 - 9.0-9.6 Violated in 3 structures by 0.01 A. Peak 9087 from aliabs.peaks (2.19, 0.56, 24.08 ppm; 4.02 A): 1 out of 6 assignments used, quality = 1.00: HB VAL 133 + QD2 LEU 42 OK 100 100 100 100 3.0-3.6 2.1/10587=87...(24) HG2 GLN 68 - QD2 LEU 42 far 0 68 0 - 6.9-8.3 HB3 GLN 68 - QD2 LEU 42 far 0 98 0 - 8.3-9.6 HB2 GLN 68 - QD2 LEU 42 far 0 60 0 - 8.5-9.7 HB2 PRO 81 - QD2 LEU 42 far 0 93 0 - 9.0-9.6 HB2 GLN 82 - QD2 LEU 42 far 0 87 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 9088 from aliabs.peaks (2.20, 0.63, 27.44 ppm; 5.79 A increased from 5.45 A): 1 out of 8 assignments used, quality = 0.96: HB VAL 133 + QD1 LEU 42 OK 96 96 100 100 4.9-5.7 2.1/11676=97, ~10587=91...(22) HG2 GLN 68 - QD1 LEU 42 far 5 93 5 - 5.7-7.0 HB3 GLN 68 - QD1 LEU 42 far 0 81 0 - 6.8-8.0 HB2 GLN 68 - QD1 LEU 42 far 0 89 0 - 6.8-8.4 HB3 GLU 97 - QD1 LEU 42 far 0 87 0 - 9.4-10.6 HB2 PRO 81 - QD1 LEU 42 far 0 88 0 - 9.7-10.2 HB2 GLN 82 - QD1 LEU 42 far 0 99 0 - 9.9-12.4 HB3 GLU 128 - QD1 LEU 42 far 0 57 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 9089 from aliabs.peaks (2.93, 1.49, 28.46 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: HB2 CYS 45 + HG LEU 42 OK 100 100 100 100 3.9-4.9 11062/9078=94...(9) HE2 LYS 39 - HG LEU 42 far 0 100 0 - 7.6-8.6 HE3 LYS 39 - HG LEU 42 far 0 100 0 - 8.9-10.2 Violated in 0 structures by 0.00 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 3.1-3.9 10874/2.1=93...(25) Violated in 0 structures by 0.00 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 1.8-1.9 1.8/10874=70...(28) HB3 PHE 89 - QD1 LEU 42 far 0 97 0 - 6.4-6.8 HB2 HIS 67 - QD1 LEU 42 far 0 99 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 9092 from aliabs.peaks (3.13, 0.63, 27.44 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: HB3 TYR 76 + QD1 LEU 42 OK 100 100 100 100 2.1-2.7 9635=66, 1.8/9617=59...(19) HB3 CYS 45 - QD1 LEU 42 far 0 96 0 - 5.8-6.4 Violated in 0 structures by 0.00 A. Peak 9093 from aliabs.peaks (2.95, 0.63, 27.44 ppm; 5.08 A increased from 4.78 A): 1 out of 7 assignments used, quality = 0.82: HB2 CYS 45 + QD1 LEU 42 OK 82 87 100 95 4.8-5.3 1439/1324=47...(8) HE2 LYS 39 - QD1 LEU 42 far 0 73 0 - 7.1-7.6 HE3 LYS 39 - QD1 LEU 42 far 0 73 0 - 8.2-8.8 HE3 LYS 86 - QD1 LEU 42 far 0 100 0 - 8.3-9.8 HE2 LYS 36 - QD1 LEU 42 far 0 99 0 - 9.0-10.7 HE3 LYS 36 - QD1 LEU 42 far 0 99 0 - 9.4-10.7 HE3 LYS 19 - QD1 LEU 42 far 0 100 0 - 9.9-32.9 Violated in 2 structures by 0.01 A. Peak 9094 from aliabs.peaks (2.74, 0.63, 27.44 ppm; 4.10 A): 2 out of 6 assignments used, quality = 0.99: HB2 CYS 73 + QD1 LEU 42 OK 97 100 100 97 3.7-4.5 3.0/9570=62, 3.8/9565=43...(14) HB2 TYR 76 + QD1 LEU 42 OK 81 81 100 100 2.1-2.5 1.8/9092=77, 9098/2.1=57...(19) HB3 ASP 78 - QD1 LEU 42 far 0 85 0 - 8.4-9.0 HB2 CYS 125 - QD1 LEU 42 far 0 96 0 - 8.8-10.6 HB2 ASP 47 - QD1 LEU 42 far 0 68 0 - 8.8-10.3 HB2 ASP 131 - QD1 LEU 42 far 0 71 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 9095 from aliabs.peaks (3.34, 0.56, 24.08 ppm; 4.46 A): 1 out of 3 assignments used, quality = 1.00: HB3 TYR 72 + QD2 LEU 42 OK 100 100 100 100 4.2-4.4 9091/2.1=78...(25) HB2 PHE 89 - QD2 LEU 42 far 0 76 0 - 5.9-6.6 HB3 PHE 89 - QD2 LEU 42 far 0 100 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 9096 from aliabs.peaks (3.12, 0.56, 24.08 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.99: HB3 TYR 76 + QD2 LEU 42 OK 99 99 100 100 3.9-4.5 9092/2.1=86, 1.8/9098=77...(22) HB3 CYS 45 - QD2 LEU 42 far 0 99 0 - 6.3-6.7 Violated in 0 structures by 0.00 A. Peak 9097 from aliabs.peaks (2.94, 0.56, 24.08 ppm; 5.25 A increased from 4.42 A): 2 out of 5 assignments used, quality = 1.00: HE2 LYS 39 + QD2 LEU 42 OK 94 96 100 99 5.1-5.4 10571/10587=77...(9) HB2 CYS 45 + QD2 LEU 42 OK 94 99 95 100 5.0-6.0 11062/11066=80...(8) HE3 LYS 39 - QD2 LEU 42 far 0 96 0 - 6.0-6.7 HD2 ARG 135 - QD2 LEU 42 far 0 92 0 - 8.4-10.5 HE3 LYS 86 - QD2 LEU 42 far 0 93 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 9098 from aliabs.peaks (2.75, 0.56, 24.08 ppm; 4.73 A): 1 out of 6 assignments used, quality = 0.89: HB2 TYR 76 + QD2 LEU 42 OK 89 89 100 100 3.4-4.5 1.8/9096=81, ~9092=65...(21) HB2 CYS 73 - QD2 LEU 42 far 0 99 0 - 5.5-6.6 HB2 ASP 47 - QD2 LEU 42 far 0 57 0 - 6.8-8.7 HB2 ASP 131 - QD2 LEU 42 far 0 81 0 - 7.1-7.9 HB2 CYS 125 - QD2 LEU 42 far 0 90 0 - 8.7-10.3 HB3 ASP 78 - QD2 LEU 42 far 0 76 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 9099 from aliabs.peaks (3.78, 0.56, 24.08 ppm; 3.36 A): 2 out of 5 assignments used, quality = 1.00: HA LEU 43 + QD2 LEU 42 OK 99 100 100 99 2.7-3.1 2.8/1338=47...(16) HA SER 130 + QD2 LEU 42 OK 91 100 100 91 2.5-3.5 11747/9129=35...(11) HB3 SER 130 - QD2 LEU 42 far 0 99 0 - 4.3-5.3 HA VAL 133 - QD2 LEU 42 far 0 97 0 - 4.7-5.1 HA ARG 90 - QD2 LEU 42 far 0 81 0 - 7.7-8.4 Violated in 0 structures by 0.00 A. Peak 9100 from aliabs.peaks (4.34, 0.56, 24.08 ppm; 4.20 A): 0 out of 6 assignments used, quality = 0.00: HA LEU 69 - QD2 LEU 42 far 0 100 0 - 5.1-5.5 HA GLN 134 - QD2 LEU 42 far 0 97 0 - 6.5-7.1 HA ASP 47 - QD2 LEU 42 far 0 99 0 - 7.2-7.8 HA2 GLY 75 - QD2 LEU 42 far 0 87 0 - 8.3-8.8 HA CYS 125 - QD2 LEU 42 far 0 95 0 - 9.0-9.6 HA PRO 81 - QD2 LEU 42 far 0 90 0 - 9.5-10.2 Violated in 20 structures by 0.82 A. Peak 9101 from aliabs.peaks (3.77, 0.63, 27.44 ppm; 5.41 A increased from 4.81 A): 2 out of 6 assignments used, quality = 1.00: HA LEU 43 + QD1 LEU 42 OK 100 100 100 100 5.1-5.3 10883/2.1=93...(11) HA SER 130 + QD1 LEU 42 OK 99 100 100 99 4.9-5.9 11861/11676=76...(7) HA VAL 133 - QD1 LEU 42 far 0 99 0 - 6.2-6.7 HB3 SER 130 - QD1 LEU 42 far 0 100 0 - 6.6-7.6 HA ARG 90 - QD1 LEU 42 far 0 71 0 - 6.7-7.7 HA GLU 97 - QD1 LEU 42 far 0 96 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 9102 from aliabs.peaks (4.36, 0.63, 27.44 ppm; 3.81 A): 2 out of 6 assignments used, quality = 0.99: HA LEU 69 + QD1 LEU 42 OK 92 97 100 96 3.4-4.2 2178/9091=30...(18) HA CYS 73 + QD1 LEU 42 OK 87 87 100 100 2.1-2.4 9570=72, 2.9/9565=42...(22) HA ASP 78 - QD1 LEU 42 far 0 71 0 - 8.4-8.9 HA GLN 134 - QD1 LEU 42 far 0 99 0 - 8.8-9.3 HA ASP 47 - QD1 LEU 42 far 0 78 0 - 9.0-9.4 HA CYS 125 - QD1 LEU 42 far 0 100 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 9105 from aliabs.peaks (8.02, 0.56, 24.08 ppm; 5.23 A): 2 out of 4 assignments used, quality = 0.93: H SER 130 + QD2 LEU 42 OK 90 90 100 100 3.8-4.7 4.2/10486=81...(8) H ILE 129 + QD2 LEU 42 OK 26 90 30 96 5.7-6.4 4.0/10486=84...(3) H LEU 48 - QD2 LEU 42 far 0 60 0 - 7.5-8.0 H SER 94 - QD2 LEU 42 far 0 68 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 9106 from aliabs.peaks (8.50, 0.56, 24.08 ppm; 5.16 A): 1 out of 1 assignment used, quality = 0.63: H ALA 46 + QD2 LEU 42 OK 63 63 100 100 4.1-4.5 3.1/9177=91...(12) Violated in 0 structures by 0.00 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 1.9-3.0 9110/2.1=81...(14) HE ARG 90 - QD2 LEU 42 far 0 100 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 9108 from aliabs.peaks (7.12, 0.56, 24.08 ppm; 5.58 A increased from 4.46 A): 1 out of 1 assignment used, quality = 0.92: QD TYR 72 + QD2 LEU 42 OK 92 92 100 100 4.9-5.5 9111/2.1=94, 2.7/9095=90...(31) Violated in 0 structures by 0.00 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 3.4-4.3 10555/10587=52...(18) QD TYR 76 + QD2 LEU 42 OK 92 92 100 100 3.0-3.9 2.6/9096=51, 2.6/9098=50...(25) Violated in 0 structures by 0.00 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 1.7-1.9 2.2/11890=66...(17) HE ARG 90 - QD1 LEU 42 far 0 99 0 - 7.3-9.4 Violated in 0 structures by 0.00 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 3.4-3.8 2.7/9091=76...(32) Violated in 0 structures by 0.00 A. Peak 9112 from aliabs.peaks (6.48, 0.63, 27.44 ppm; 3.78 A): 2 out of 2 assignments used, quality = 0.96: QD TYR 76 + QD1 LEU 42 OK 86 87 100 99 2.6-3.6 2.6/9092=57, 2.6/9617=45...(18) QE TYR 76 + QD1 LEU 42 OK 73 99 75 98 3.9-4.9 10555/11676=46, 9634=38...(17) Violated in 0 structures by 0.00 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 2.0-3.7 11119=78, 9022/10826=57...(14) Violated in 0 structures by 0.00 A. Peak 9115 from aliabs.peaks (4.53, 0.63, 27.44 ppm; 4.79 A): 1 out of 3 assignments used, quality = 0.96: HA TYR 72 + QD1 LEU 42 OK 96 96 100 100 3.3-3.6 3.0/9091=76...(27) HA SER 38 - QD1 LEU 42 far 0 95 0 - 6.0-6.6 HA ASP 35 - QD1 LEU 42 far 0 73 0 - 9.3-9.8 Violated in 0 structures by 0.00 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 3.0-3.9 4.3/11777=91...(18) H LEU 42 + QD2 LEU 43 OK 92 92 100 100 4.6-5.9 3.9/6510=88, 4.8/9129=82...(6) 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 3.0-4.7 4.0/11901=77...(29) Violated in 0 structures by 0.00 A. Peak 9120 from aliabs.peaks (2.94, 0.68, 25.73 ppm; 3.63 A): 2 out of 4 assignments used, quality = 0.99: HE2 LYS 39 + QD1 LEU 43 OK 93 96 100 97 1.8-3.4 4.0/11901=44...(24) HE3 LYS 39 + QD1 LEU 43 OK 92 96 100 96 1.8-3.6 4.0/11901=44...(26) HB2 CYS 45 - QD1 LEU 43 far 0 99 0 - 7.7-8.2 HD2 ARG 135 - QD1 LEU 43 far 0 92 0 - 7.8-10.3 Violated in 0 structures by 0.00 A. Peak 9121 from aliabs.peaks (2.65, 0.68, 25.73 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: HG2 GLN 134 + QD1 LEU 43 OK 100 100 100 100 1.9-3.5 11684=87, 9124/2.1=76...(23) Violated in 0 structures by 0.00 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 3.7-5.0 9119/2.1=90...(30) Violated in 0 structures by 0.00 A. Peak 9123 from aliabs.peaks (2.94, 0.74, 22.24 ppm; 4.30 A): 2 out of 4 assignments used, quality = 1.00: HE2 LYS 39 + QD2 LEU 43 OK 98 99 100 99 2.9-4.8 10571/11090=51...(23) HE3 LYS 39 + QD2 LEU 43 OK 83 99 85 99 3.8-5.0 4.0/11073=49...(25) HB2 CYS 45 - QD2 LEU 43 far 0 100 0 - 6.2-7.5 HD2 ARG 135 - QD2 LEU 43 far 0 97 0 - 6.6-9.5 Violated in 1 structures by 0.00 A. Peak 9124 from aliabs.peaks (2.64, 0.74, 22.24 ppm; 4.09 A): 1 out of 1 assignment used, quality = 0.99: HG2 GLN 134 + QD2 LEU 43 OK 99 99 100 100 1.8-2.5 10596=89, 1.8/9127=82...(30) Violated in 0 structures by 0.00 A. Peak 9125 from aliabs.peaks (2.06, 0.68, 25.73 ppm; 4.08 A increased from 3.84 A): 2 out of 8 assignments used, quality = 0.98: HB3 LYS 39 + QD1 LEU 43 OK 88 93 95 100 2.6-5.0 2.9/11901=70...(35) HG3 GLN 134 + QD1 LEU 43 OK 86 96 90 100 1.9-4.8 1.8/9121=72, 9127/2.1=70...(20) HB3 GLU 44 - QD1 LEU 43 far 0 99 0 - 5.9-6.7 HG3 PRO 81 - QD1 LEU 43 far 0 92 0 - 6.5-7.9 HB2 GLN 127 - QD1 LEU 43 far 0 90 0 - 8.2-10.6 HB2 PRO 81 - QD1 LEU 43 far 0 81 0 - 8.2-9.7 HB3 GLN 82 - QD1 LEU 43 far 0 71 0 - 9.0-11.7 HB2 GLU 128 - QD1 LEU 43 far 0 90 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 9126 from aliabs.peaks (2.33, 0.68, 25.73 ppm; 4.78 A): 1 out of 3 assignments used, quality = 0.99: HB3 GLN 134 + QD1 LEU 43 OK 99 99 100 100 2.2-4.9 11074/2.1=78...(24) HG2 GLU 44 - QD1 LEU 43 far 0 81 0 - 5.6-6.6 HG2 GLN 127 - QD1 LEU 43 far 0 99 0 - 8.7-11.0 Violated in 3 structures by 0.01 A. Peak 9127 from aliabs.peaks (2.05, 0.74, 22.24 ppm; 3.84 A): 1 out of 9 assignments used, quality = 0.73: HG3 GLN 134 + QD2 LEU 43 OK 73 73 100 100 2.5-3.9 1.8/9124=70...(29) HB3 LYS 39 - QD2 LEU 43 far 0 68 0 - 5.1-6.1 HB3 GLU 44 - QD2 LEU 43 far 0 83 0 - 6.3-6.7 HG3 ARG 135 - QD2 LEU 43 far 0 83 0 - 6.6-7.8 HB2 GLU 44 - QD2 LEU 43 far 0 60 0 - 7.1-7.4 HB2 GLN 127 - QD2 LEU 43 far 0 100 0 - 7.4-8.3 HG3 PRO 81 - QD2 LEU 43 far 0 100 0 - 7.5-8.5 HB2 GLU 128 - QD2 LEU 43 far 0 63 0 - 8.3-8.9 HB2 PRO 81 - QD2 LEU 43 far 0 73 0 - 9.2-10.4 Violated in 2 structures by 0.01 A. Peak 9128 from aliabs.peaks (2.19, 0.74, 22.24 ppm; 3.72 A): 1 out of 5 assignments used, quality = 1.00: HB VAL 133 + QD2 LEU 43 OK 100 100 100 100 1.8-2.9 2.1/11777=82...(23) HB3 LEU 69 - QD2 LEU 43 far 0 60 0 - 8.5-9.4 HG2 GLN 68 - QD2 LEU 43 far 0 60 0 - 9.0-10.3 HB2 PRO 81 - QD2 LEU 43 far 0 94 0 - 9.2-10.4 HB2 GLN 82 - QD2 LEU 43 far 0 81 0 - 9.6-11.9 Violated in 0 structures by 0.00 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 99 1.9-3.3 9085/2.1=52...(21) Violated in 0 structures by 0.00 A. Peak 9140 from aliabs.peaks (1.72, 2.48, 34.64 ppm; 4.48 A): 1 out of 4 assignments used, quality = 0.67: HB2 LEU 43 + HG3 GLU 44 OK 67 87 100 77 3.5-4.9 4.6/1424=55, ~10881=25...(4) HG LEU 48 - HG3 GLU 44 far 0 99 0 - 6.7-8.0 HD3 LYS 39 - HG3 GLU 44 far 0 99 0 - 7.2-10.7 HB3 LEU 70 - HG3 GLN 104 far 0 76 0 - 9.6-11.5 Violated in 3 structures by 0.05 A. Peak 9141 from aliabs.peaks (1.19, 2.48, 34.64 ppm; 6.19 A increased from 5.21 A): 1 out of 2 assignments used, quality = 0.93: QB ALA 41 + HG3 GLU 44 OK 93 93 100 100 3.9-5.9 2.1/9064=91, ~1409=81...(16) HG3 LYS 39 - HG3 GLU 44 far 0 60 0 - 7.1-9.1 Violated in 0 structures by 0.00 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 2.9-3.4 11127=89, 9145/1.8=76...(22) Violated in 0 structures by 0.00 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 3.2-4.1 9547/1.8=79, 2.2/9143=62...(16) HE21 GLN 68 - HB2 CYS 45 poor 20 95 35 60 4.2-6.2 9146/1.8=26, 4.6/9156=15...(7) HE21 GLN 127 - HB2 CYS 45 far 0 85 0 - 9.1-15.7 Violated in 0 structures by 0.00 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 3.1-3.9 2.2/9547=74...(19) Violated in 0 structures by 0.00 A. Peak 9146 from aliabs.peaks (6.81, 3.12, 26.00 ppm; 4.17 A): 2 out of 3 assignments used, quality = 1.00: QE TYR 72 + HB3 CYS 45 OK 99 99 100 100 2.9-4.0 9547=79, 9144/1.8=58...(14) HE21 GLN 68 + HB3 CYS 45 OK 46 99 100 46 2.5-4.6 4.6/9158=16, 9144/1.8=12...(6) HE21 GLN 127 - HB3 CYS 45 far 0 96 0 - 8.8-15.6 Violated in 0 structures by 0.00 A. Peak 9147 from aliabs.peaks (8.33, 3.12, 26.00 ppm; 6.51 A): 3 out of 3 assignments used, quality = 1.00: H GLU 44 + HB3 CYS 45 OK 99 100 100 99 6.4-6.6 6531/4.4=88, 9132/4.5=84...(4) H TYR 72 + HB3 CYS 45 OK 97 98 100 99 6.1-6.7 6983/9145=85...(5) H LEU 49 + HB3 CYS 45 OK 55 57 100 97 5.2-6.1 4.6/10894=67...(9) Violated in 0 structures by 0.00 A. Peak 9148 from aliabs.peaks (8.31, 4.11, 62.25 ppm; 6.21 A): 3 out of 5 assignments used, quality = 1.00: H LEU 49 + HA CYS 45 OK 92 92 100 100 4.5-5.1 4.0/1436=82, 4.6/1438=81...(12) H GLU 44 + HA CYS 45 OK 84 89 100 94 5.4-5.5 6531/3.6=76, 3.9/9153=45...(5) H LEU 69 + HA CYS 45 OK 82 89 100 92 6.2-6.6 4.3/11056=68...(6) H LEU 43 - HA CYS 45 far 0 63 0 - 7.2-7.3 H TYR 72 - HA CYS 45 far 0 99 0 - 8.3-9.2 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 2 assignments used, quality = 0.93: HB3 GLU 44 + HA CYS 45 OK 82 83 100 99 4.2-5.6 6540/2.8=73, ~6539=67...(7) HB2 GLU 44 + HA CYS 45 OK 59 60 100 99 4.1-4.4 ~1416=66, ~6540=66...(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 = 0.99: QG2 THR 65 + HA CYS 45 OK 99 100 100 99 3.6-4.3 10991/1437=47...(14) Violated in 0 structures by 0.00 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 5.0-7.0 3.2/11062=100...(18) HB3 GLN 68 + HB2 CYS 45 OK 88 92 100 96 4.8-5.8 11048/11050=63...(6) HB VAL 133 - HB2 CYS 45 far 0 73 0 - 9.3-10.3 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 2 assignments used, quality = 0.99: HB3 GLN 68 + HB3 CYS 45 OK 96 100 100 96 3.6-4.6 9550/9146=74...(7) HB3 LEU 69 + HB3 CYS 45 OK 83 83 100 100 4.5-5.7 3.2/9159=90, ~11062=82...(19) 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 3.5-4.2 9160/1.8=89, 11072=78...(22) QG2 VAL 126 - HB3 CYS 45 far 0 63 0 - 5.8-7.0 QD2 LEU 53 - HB3 CYS 45 far 0 73 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 9160 from aliabs.peaks (1.00, 2.93, 26.00 ppm; 4.25 A): 1 out of 1 assignment used, quality = 0.97: QD1 LEU 69 + HB2 CYS 45 OK 97 97 100 100 2.8-4.4 11062=96, 11061/1.8=76...(20) Violated in 1 structures by 0.01 A. Peak 9164 from aliabs.peaks (0.91, 4.11, 62.25 ppm; 3.69 A): 3 out of 5 assignments used, quality = 1.00: QD1 LEU 48 + HA CYS 45 OK 98 100 100 98 1.9-2.8 1529=61, 3.1/1438=45...(14) QD1 LEU 49 + HA CYS 45 OK 63 100 75 84 3.9-4.6 9209/4.8=35...(13) QD2 LEU 48 + HA CYS 45 OK 42 87 50 98 3.7-4.9 2.1/1529=53, 3.1/1438=45...(13) QG2 ILE 37 - HA CYS 45 far 0 81 0 - 7.9-8.6 QD1 LEU 123 - HA CYS 45 far 0 96 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 9172 from aliabs.peaks (2.04, 3.89, 55.30 ppm; 6.80 A): 0 out of 2 assignments used, quality = 0.00: HB2 GLN 127 - HA ALA 46 far 10 96 10 - 7.3-8.6 HB2 GLU 44 - HA ALA 46 far 0 95 0 - 7.7-7.9 Violated in 16 structures by 0.25 A. Peak 9173 from aliabs.peaks (0.96, 3.89, 55.30 ppm; 3.56 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 126 + HA ALA 46 OK 99 100 100 100 1.9-2.3 9175/2.1=82...(20) QG2 VAL 126 + HA ALA 46 OK 99 100 100 99 3.6-3.9 11680/2.1=49, ~9175=46...(19) QD2 LEU 53 - HA ALA 46 far 0 99 0 - 8.1-10.0 QG2 ILE 37 - HA ALA 46 far 0 71 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 9174 from aliabs.peaks (0.87, 3.89, 55.30 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: QD2 LEU 69 + HA ALA 46 OK 100 100 100 100 1.7-1.8 11054=99, 11045/2.1=74...(26) QD2 LEU 48 - HA ALA 46 far 0 73 0 - 6.4-7.3 QD2 LEU 70 - HA ALA 46 far 0 93 0 - 6.9-7.3 QD2 LEU 123 - HA ALA 46 far 0 97 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 9175 from aliabs.peaks (0.97, 1.34, 16.76 ppm; 2.78 A): 1 out of 3 assignments used, quality = 0.95: QG1 VAL 126 + QB ALA 46 OK 95 97 100 98 2.3-2.5 10409=81, 2.1/11680=26...(18) QG2 VAL 126 - QB ALA 46 far 0 100 0 - 4.1-4.3 QD2 LEU 53 - QB ALA 46 far 0 100 0 - 8.0-9.6 Violated in 0 structures by 0.00 A. Peak 9176 from aliabs.peaks (0.75, 1.34, 16.76 ppm; 3.31 A increased from 3.11 A): 1 out of 7 assignments used, quality = 1.00: QD2 LEU 43 + QB ALA 46 OK 100 100 100 100 2.8-3.3 11071=90, 9129/9177=42...(16) HG12 ILE 129 - QB ALA 46 far 5 100 5 - 3.5-6.3 QD2 LEU 96 - QB ALA 46 far 0 100 0 - 4.7-5.7 QD1 LEU 96 - QB ALA 46 far 0 71 0 - 5.3-6.0 QG1 VAL 93 - QB ALA 46 far 0 100 0 - 6.8-7.2 QD1 ILE 37 - QB ALA 46 far 0 83 0 - 8.2-8.6 QD2 LEU 103 - QB ALA 46 far 0 92 0 - 9.8-10.5 Violated in 2 structures by 0.00 A. Peak 9177 from aliabs.peaks (0.55, 1.34, 16.76 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.98: QD2 LEU 42 + QB ALA 46 OK 98 99 100 99 2.6-3.1 9129/9176=49...(17) Violated in 0 structures by 0.00 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): 2 out of 4 assignments used, quality = 1.00: HG LEU 69 + QB ALA 46 OK 100 100 100 100 3.2-3.4 2.1/10900=90...(20) HG LEU 42 + QB ALA 46 OK 64 65 100 98 3.1-3.6 2.1/9177=82, ~10876=31...(16) HB2 LEU 49 - QB ALA 46 far 0 89 0 - 4.7-5.3 HB2 LEU 53 - QB ALA 46 far 0 99 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 9183 from aliabs.peaks (1.69, 1.34, 16.76 ppm; 4.76 A increased from 4.00 A): 1 out of 7 assignments used, quality = 0.97: HB2 LEU 43 + QB ALA 46 OK 97 97 100 100 4.2-4.8 3.2/9176=86, 3.0/1348=79...(13) HG LEU 48 - QB ALA 46 far 0 83 0 - 5.8-7.3 HD3 LYS 39 - QB ALA 46 far 0 83 0 - 7.9-9.5 HD2 LYS 39 - QB ALA 46 far 0 92 0 - 7.9-9.4 HB3 LEU 70 - QB ALA 46 far 0 81 0 - 8.9-9.1 HG2 ARG 135 - QB ALA 46 far 0 99 0 - 9.0-10.6 HB2 LEU 70 - QB ALA 46 far 0 96 0 - 9.6-9.8 Violated in 0 structures by 0.00 A. Peak 9184 from aliabs.peaks (1.97, 1.34, 16.76 ppm; 4.20 A): 0 out of 2 assignments used, quality = 0.00: HB3 LEU 53 - QB ALA 46 far 0 63 0 - 8.7-10.9 HB ILE 37 - QB ALA 46 far 0 100 0 - 9.4-10.0 Violated in 20 structures by 4.20 A. Peak 9185 from aliabs.peaks (2.13, 1.34, 16.76 ppm; 5.26 A increased from 4.43 A): 2 out of 3 assignments used, quality = 0.92: HB3 LEU 69 + QB ALA 46 OK 76 76 100 100 5.2-5.4 3.0/10900=98...(20) HB VAL 126 + QB ALA 46 OK 68 68 100 100 4.8-5.1 2.1/9175=100...(11) HB2 GLU 97 - QB ALA 46 far 0 100 0 - 10.0-12.0 Violated in 0 structures by 0.00 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 4.0-5.1 4.5=100 HE2 LYS 39 - QB ALA 46 far 0 92 0 - 6.2-8.2 HE3 LYS 39 - QB ALA 46 far 0 92 0 - 7.0-8.9 HD2 ARG 135 - QB ALA 46 far 0 96 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 9187 from aliabs.peaks (3.42, 1.34, 16.76 ppm; 4.57 A): 1 out of 4 assignments used, quality = 0.97: HA VAL 126 + QB ALA 46 OK 97 97 100 100 4.0-4.2 3.2/9175=90...(15) HA ILE 129 - QB ALA 46 far 0 57 0 - 5.2-5.9 HA LYS 39 - QB ALA 46 far 0 68 0 - 6.6-7.0 HA VAL 77 - QB ALA 46 far 0 68 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 9188 from aliabs.peaks (4.06, 1.34, 16.76 ppm; 5.29 A increased from 4.23 A): 1 out of 6 assignments used, quality = 0.76: HA GLU 44 + QB ALA 46 OK 76 76 100 100 4.8-5.1 2.8/9132=81, 3.6/9192=72...(11) HA PHE 89 - QB ALA 46 far 0 81 0 - 7.7-8.0 HB THR 65 - QB ALA 46 far 0 100 0 - 7.9-8.3 HA LEU 122 - QB ALA 46 far 0 71 0 - 8.2-8.9 HA LEU 96 - QB ALA 46 far 0 97 0 - 8.8-9.1 HA ALA 92 - QB ALA 46 far 0 97 0 - 9.5-10.2 Violated in 0 structures by 0.00 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 95 95 100 100 6.6-6.8 3.6/1455=93, ~6560=77...(12) HA LEU 49 + HA ALA 46 OK 83 83 100 100 6.2-6.7 2.9/1455=98, 4.1/9209=58...(8) 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 57 76 85 88 7.0-7.5 11055/11054=69...(6) Violated in 0 structures by 0.00 A. Peak 9190 from aliabs.peaks (8.28, 1.34, 16.76 ppm; 4.50 A increased from 4.00 A): 2 out of 8 assignments used, quality = 0.99: H LEU 43 + QB ALA 46 OK 96 96 100 100 4.1-4.4 2.8/1348=76...(15) H ASP 131 + QB ALA 46 OK 81 100 85 95 4.6-5.2 4180/11718=52...(8) H LEU 49 - QB ALA 46 far 0 71 0 - 5.2-5.5 H VAL 126 - QB ALA 46 far 0 100 0 - 6.0-6.2 H LEU 69 - QB ALA 46 far 0 76 0 - 6.2-6.5 H GLU 40 - QB ALA 46 far 0 96 0 - 8.0-8.3 H LEU 123 - QB ALA 46 far 0 99 0 - 8.6-9.2 H LEU 96 - QB ALA 46 far 0 100 0 - 8.9-9.3 Violated in 0 structures by 0.00 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 4.6-4.8 6579/6568=74...(10) H SER 130 + QB ALA 46 OK 98 98 100 100 2.6-3.5 10497/9175=66...(13) H CYS 125 - QB ALA 46 far 0 100 0 - 7.9-8.1 H ALA 52 - QB ALA 46 far 0 87 0 - 8.3-8.8 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 4.1-4.8 7391=77, 3.1/3155=60...(17) H GLU 97 + HA LEU 98 OK 71 78 100 91 5.0-5.2 9997/3.0=52...(5) H ASP 47 + HA LEU 48 OK 28 31 100 90 5.0-5.1 6579/2.9=58, 6594/3.6=36...(8) H ASP 47 - HA LEU 49 far 0 65 0 - 7.1-7.4 H HIS 4 - HA LEU 48 far 0 29 0 - 7.9-65.5 H LEU 70 - HA LEU 49 far 0 83 0 - 9.8-10.6 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 2 assignments used, quality = 0.98: H ASP 47 + HB3 LEU 48 OK 98 98 100 100 4.2-4.6 3.6/6585=100...(11) H LEU 70 - HB3 LEU 48 far 0 90 0 - 9.0-9.8 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 2.3-3.1 11703/2.9=62...(17) QG2 THR 65 + HA LEU 48 OK 57 57 100 100 3.9-4.3 10991/3.0=64...(19) QG2 THR 54 - HA LEU 49 far 0 92 0 - 6.1-6.7 QG2 THR 54 - HA LEU 48 far 0 48 0 - 6.3-7.4 Violated in 0 structures by 0.00 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 2.0-2.5 10991/1.8=93...(24) QG2 THR 54 - HB3 LEU 48 far 0 65 0 - 8.1-9.1 Violated in 0 structures by 0.00 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 1.9-2.5 10991=99, 9441/3.0=89...(18) QG2 THR 65 - HB3 LEU 122 far 0 66 0 - 6.5-8.4 QG2 THR 54 - HB2 LEU 48 far 0 92 0 - 7.6-8.7 QG2 THR 54 - HB3 LEU 122 far 0 55 0 - 7.8-11.2 Violated in 0 structures by 0.00 A. Peak 9203 from aliabs.peaks (1.23, 4.10, 58.01 ppm; 5.91 A): 2 out of 4 assignments used, quality = 0.99: QG2 THR 65 + HA LEU 48 OK 99 99 100 100 3.9-4.3 10991/3.0=94...(20) QG2 THR 65 + HA LEU 49 OK 54 54 100 100 2.3-3.1 11703/2.9=95...(17) QG2 THR 54 - HA LEU 49 poor 11 55 20 - 6.1-6.7 QG2 THR 54 - HA LEU 48 far 10 99 10 - 6.3-7.4 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 = 0.92: QG2 THR 65 + HG LEU 48 OK 92 92 100 100 3.7-4.2 10991/3.0=76, 9441=72...(17) Violated in 0 structures by 0.00 A. Peak 9205 from aliabs.peaks (1.58, 0.90, 23.93 ppm; 5.61 A increased from 4.49 A): 2 out of 5 assignments used, quality = 0.89: HG LEU 49 + QD2 LEU 48 OK 69 100 70 99 5.4-6.3 10992/10906=53...(19) HG LEU 49 + QD1 LEU 48 OK 64 65 100 99 4.9-5.7 10992/10957=40...(19) HG LEU 122 - QD2 LEU 98 far 0 40 0 - 8.0-9.8 HB2 LEU 103 - QD2 LEU 98 far 0 75 0 - 8.6-9.7 HG LEU 122 - QD1 LEU 48 far 0 34 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 9206 from aliabs.peaks (3.87, 0.80, 26.84 ppm; 4.16 A): 3 out of 7 assignments used, quality = 0.86: HA LEU 123 + QD2 LEU 49 OK 63 90 100 70 3.7-4.5 10393/11676=26...(9) HD2 PRO 81 + HG13 ILE 80 OK 51 51 100 99 2.3-3.5 2478/4.1=46, 11186=35...(30) HA ALA 46 + QD2 LEU 49 OK 21 71 30 98 4.4-5.1 9209/2.1=89...(12) HA LYS 86 - HG13 ILE 80 far 7 44 15 - 4.6-5.0 HB3 SER 50 - QD2 LEU 49 far 0 96 0 - 5.9-7.1 HA LEU 70 - QD2 LEU 49 far 0 93 0 - 7.0-7.3 HA3 GLY 75 - HG13 ILE 80 far 0 35 0 - 8.7-9.9 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 = 0.59: HB2 ASN 85 + HG13 ILE 80 OK 59 59 100 100 4.5-5.5 11173/3.2=94...(16) Violated in 0 structures by 0.00 A. Peak 9208 from aliabs.peaks (3.63, 0.80, 26.84 ppm; 3.80 A): 2 out of 3 assignments used, quality = 1.00: HA2 GLY 66 + QD2 LEU 49 OK 97 99 100 98 1.7-1.8 ~9433=32, 9448=27...(25) HA3 GLY 66 + QD2 LEU 49 OK 97 100 100 97 2.2-2.6 ~9433=32, 9210/2.1=29...(24) HD2 PRO 58 - QD2 LEU 49 far 0 90 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 9209 from aliabs.peaks (3.87, 0.91, 23.35 ppm; 3.37 A): 1 out of 6 assignments used, quality = 0.38: HA ALA 46 + QD1 LEU 49 OK 38 71 100 54 2.4-3.1 6593/4.7=13, 9206/2.1=13...(13) HB3 SER 50 - QD1 LEU 49 far 0 96 0 - 4.7-6.7 HA LEU 123 - QD1 LEU 49 far 0 90 0 - 4.9-5.8 HA LEU 70 - QD1 LEU 49 far 0 93 0 - 6.5-7.3 HA LEU 123 - QG2 VAL 63 far 0 47 0 - 9.3-10.3 HA2 GLY 114 - QG2 VAL 63 far 0 49 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 9210 from aliabs.peaks (3.65, 0.91, 23.35 ppm; 3.97 A): 2 out of 4 assignments used, quality = 0.97: HA3 GLY 66 + QD1 LEU 49 OK 86 90 100 95 3.4-4.4 2.9/9433=48, 9208/2.1=31...(15) HA2 GLY 66 + QD1 LEU 49 OK 77 81 100 96 1.9-3.0 2.9/9433=48, 9208/2.1=31...(18) HA3 GLY 66 - QG2 VAL 63 far 0 47 0 - 5.3-5.6 HA2 GLY 66 - QG2 VAL 63 far 0 40 0 - 6.7-6.9 Violated in 0 structures by 0.00 A. Peak 9218 from aliabs.peaks (0.79, 4.00, 62.52 ppm; 4.01 A): 1 out of 28 assignments used, quality = 0.99: QD1 LEU 53 + HA SER 50 OK 99 100 100 99 1.8-3.9 11422/11636=63...(20) QD2 LEU 49 - HA SER 50 far 0 100 0 - 5.1-5.6 QD1 LEU 122 - HA SER 50 far 0 96 0 - 5.4-8.3 QD1 LEU 53 - HB3 SER 51 far 0 71 0 - 5.9-7.0 QD1 LEU 53 - HB3 SER 124 far 0 61 0 - 6.0-8.0 QD2 LEU 122 - HB2 SER 124 far 0 82 0 - 6.3-7.9 QD1 LEU 122 - HB3 SER 124 far 0 54 0 - 6.5-8.9 QD1 LEU 53 - HB2 SER 124 far 0 85 0 - 6.5-8.7 QD1 LEU 122 - HB2 SER 124 far 0 78 0 - 6.6-9.0 QD2 LEU 122 - HB3 SER 124 far 0 58 0 - 6.7-7.8 QD1 LEU 96 - HA SER 50 far 0 81 0 - 7.4-8.2 QD1 LEU 96 - HB2 SER 124 far 0 62 0 - 7.5-8.4 QD2 LEU 122 - HA SER 50 far 0 99 0 - 7.6-8.5 QD2 LEU 49 - HB3 SER 124 far 0 61 0 - 7.8-8.7 QD2 LEU 49 - HB3 SER 51 far 0 71 0 - 8.0-8.7 QD2 LEU 49 - HB2 SER 124 far 0 85 0 - 8.0-8.9 QD1 LEU 96 - HB3 SER 124 far 0 42 0 - 8.1-8.7 QD2 LEU 119 - HA SER 50 far 0 100 0 - 8.2-8.6 QD1 ILE 32 - HA VAL 20 far 0 60 0 - 8.2-16.2 QD1 LEU 70 - HA VAL 20 far 0 78 0 - 8.8-27.0 QG2 ILE 80 - HA VAL 20 far 0 72 0 - 8.9-27.4 QD1 LEU 122 - HB3 SER 51 far 0 64 0 - 9.0-12.0 QG2 ILE 129 - HB2 SER 124 far 0 43 0 - 9.3-9.8 QD2 LEU 119 - HB3 SER 124 far 0 60 0 - 9.4-10.3 QD1 ILE 37 - HA VAL 20 far 0 60 0 - 9.9-22.0 QD1 LEU 103 - HB3 SER 124 far 0 53 0 - 9.9-10.9 QD1 LEU 103 - HA SER 50 far 0 95 0 - 9.9-11.0 QG2 ILE 129 - HA SER 50 far 0 57 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 9229 from aliabs.peaks (0.93, 4.13, 54.29 ppm; 4.22 A): 1 out of 9 assignments used, quality = 0.99: QG1 VAL 57 + HA ALA 52 OK 99 99 100 100 3.3-3.9 9312/2.1=89, 2.1/9304=82...(16) QD1 LEU 62 - HA ALA 52 far 0 81 0 - 5.3-5.9 QD1 LEU 48 - HA ALA 52 far 0 71 0 - 7.3-8.1 QD1 LEU 123 - HA ALA 52 far 0 98 0 - 7.4-7.8 QD1 LEU 49 - HA ALA 52 far 0 78 0 - 7.5-8.1 QG1 VAL 126 - HA ALA 52 far 0 78 0 - 8.4-8.9 QD1 LEU 119 - HA ALA 52 far 0 100 0 - 8.9-9.7 QG2 VAL 126 - HA ALA 52 far 0 63 0 - 9.2-9.7 QG2 VAL 63 - HA ALA 52 far 0 73 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 9230 from aliabs.peaks (0.67, 4.13, 54.29 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 62 + HA ALA 52 OK 100 100 100 100 3.5-4.0 10996/2.1=99...(9) Violated in 0 structures by 0.00 A. Peak 9231 from aliabs.peaks (0.90, 1.48, 18.03 ppm; 2.88 A): 0 out of 9 assignments used, quality = 0.00: QD2 LEU 48 - QB ALA 52 far 15 98 15 - 3.3-4.9 QD1 LEU 62 - QB ALA 52 far 5 98 5 - 3.4-4.0 QD1 LEU 48 - QB ALA 52 far 0 100 0 - 4.8-5.8 QD1 LEU 49 - QB ALA 52 far 0 99 0 - 4.9-5.4 QD2 LEU 123 - QB ALA 52 far 0 78 0 - 5.5-6.3 QD1 LEU 123 - QB ALA 52 far 0 81 0 - 5.6-6.6 QG2 VAL 63 - QB ALA 52 far 0 99 0 - 6.7-7.1 QG1 VAL 118 - QB ALA 52 far 0 97 0 - 7.5-8.6 QG2 VAL 112 - QB ALA 52 far 0 85 0 - 9.2-10.1 Violated in 20 structures by 0.39 A. Peak 9232 from aliabs.peaks (0.66, 1.48, 18.03 ppm; 3.04 A): 1 out of 3 assignments used, quality = 0.96: QD2 LEU 62 + QB ALA 52 OK 96 97 100 100 1.7-1.8 10996=95, 9319/9317=43...(17) QD2 LEU 100 - QB ALA 52 far 0 95 0 - 6.7-7.3 QD1 ILE 129 - QB ALA 52 far 0 92 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 9238 from aliabs.peaks (2.00, 4.13, 54.29 ppm; 4.44 A increased from 4.18 A): 1 out of 6 assignments used, quality = 0.97: HB2 GLU 55 + HA ALA 52 OK 97 97 100 100 3.9-4.5 11905=84, 1.8/11904=64...(10) HB3 LEU 53 - HA ALA 52 far 0 99 0 - 5.6-6.5 HG2 PRO 56 - HA ALA 52 far 0 99 0 - 7.2-7.6 HB3 PRO 56 - HA ALA 52 far 0 100 0 - 8.2-8.8 HG3 PRO 56 - HA ALA 52 far 0 97 0 - 8.3-8.7 HG2 PRO 58 - HA ALA 52 far 0 68 0 - 8.5-9.1 Violated in 1 structures by 0.00 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 2.4-5.5 3.0/9238=77...(7) HG3 GLN 61 - HA ALA 52 far 4 78 5 - 5.4-6.8 Violated in 1 structures by 0.02 A. Peak 9240 from aliabs.peaks (1.94, 1.48, 18.03 ppm; 3.60 A): 1 out of 3 assignments used, quality = 0.41: HG LEU 53 + QB ALA 52 OK 41 99 55 76 3.2-5.4 6666/6662=33...(8) HB3 LEU 49 - QB ALA 52 far 7 65 10 - 4.1-5.3 HB2 PRO 58 - QB ALA 52 far 0 99 0 - 7.7-8.0 Violated in 10 structures by 0.72 A. Peak 9241 from aliabs.peaks (2.06, 1.48, 18.03 ppm; 3.85 A): 1 out of 6 assignments used, quality = 0.57: HB VAL 57 + QB ALA 52 OK 57 57 100 100 3.4-4.1 2.1/9317=87, 2.1/9312=83...(16) HB3 GLU 55 - QB ALA 52 far 9 87 10 - 4.1-6.0 HB2 LEU 62 - QB ALA 52 far 0 100 0 - 4.5-5.2 HG3 PRO 58 - QB ALA 52 far 0 100 0 - 7.2-7.6 HB2 GLN 127 - QB ALA 52 far 0 97 0 - 9.1-11.0 HB VAL 118 - QB ALA 52 far 0 99 0 - 9.3-10.6 Violated in 1 structures by 0.01 A. Peak 9242 from aliabs.peaks (2.39, 1.48, 18.03 ppm; 4.69 A): 2 out of 3 assignments used, quality = 0.97: HG3 GLN 61 + QB ALA 52 OK 85 87 100 98 3.0-4.0 10937/9312=57...(8) HG3 GLU 55 + QB ALA 52 OK 81 90 90 99 3.9-6.5 9239/2.1=70, ~10909=55...(9) HB3 PRO 58 - QB ALA 52 far 0 83 0 - 8.1-8.5 Violated in 0 structures by 0.00 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: HA LEU 123 - QB ALA 52 far 0 76 0 - 6.0-7.2 HB3 SER 50 - QB ALA 52 far 0 100 0 - 6.3-7.3 HA ALA 46 - QB ALA 52 far 0 87 0 - 8.0-8.2 HA2 GLY 114 - QB ALA 52 far 0 99 0 - 8.4-10.8 HA2 GLY 2 - QB ALA 52 far 0 78 0 - 9.8-56.6 HA3 GLY 2 - QB ALA 52 far 0 76 0 - 9.9-56.5 Violated in 20 structures by 1.35 A. Peak 9244 from aliabs.peaks (3.91, 4.13, 54.29 ppm; 5.39 A): 1 out of 2 assignments used, quality = 0.58: HB2 SER 51 + HA ALA 52 OK 58 63 100 92 4.0-4.8 6649/2.9=56, ~6650=35...(7) HA2 GLY 111 - HA ALA 52 far 0 89 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 9247 from aliabs.peaks (8.29, 1.48, 18.03 ppm; 4.82 A increased from 4.53 A): 1 out of 4 assignments used, quality = 0.93: H LEU 49 + QB ALA 52 OK 93 95 100 98 4.4-4.8 2.9/1631=48, ~6645=33...(18) H LEU 123 - QB ALA 52 far 0 83 0 - 6.5-8.1 H VAL 126 - QB ALA 52 far 0 99 0 - 8.6-9.5 H LEU 69 - QB ALA 52 far 0 97 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 9252 from aliabs.peaks (0.68, 4.18, 56.53 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 62 + HA LEU 53 OK 100 100 100 100 1.9-3.6 10038=98, 10338/1679=58...(11) QD2 LEU 100 - HA LEU 53 far 0 100 0 - 8.0-10.0 Violated in 0 structures by 0.00 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 2.0-4.5 10941/9240=96...(15) QD2 LEU 100 - HG LEU 53 lone 1 99 30 5 6.4-9.0 11491/1667=2 Violated in 0 structures by 0.00 A. Peak 9254 from aliabs.peaks (3.87, 0.97, 25.20 ppm; 5.00 A increased from 4.00 A): 1 out of 5 assignments used, quality = 0.73: HA LEU 123 + QD2 LEU 53 OK 73 76 100 96 3.5-5.1 2.9/11818=65, ~11571=57...(11) HA2 GLY 114 - QD2 LEU 53 lone 2 99 30 6 4.8-7.6 9608/1683=3, 2.9/11518=2 HB3 SER 50 - QD2 LEU 53 far 0 100 0 - 6.3-7.5 HA ALA 46 - QD2 LEU 53 far 0 87 0 - 8.1-10.0 HD2 PRO 117 - QD2 LEU 53 far 0 87 0 - 8.6-9.9 Violated in 1 structures by 0.00 A. Peak 9255 from aliabs.peaks (2.94, 0.97, 25.20 ppm; 4.68 A): 0 out of 1 assignment used, quality = 0.00: HB3 ASN 116 - QD2 LEU 53 far 0 99 0 - 6.3-8.7 Violated in 20 structures by 2.13 A. Peak 9256 from aliabs.peaks (2.28, 0.97, 25.20 ppm; 4.83 A): 0 out of 2 assignments used, quality = 0.00: HG2 GLN 61 - QD2 LEU 53 far 0 100 0 - 6.3-8.0 HB3 PRO 113 - QD2 LEU 53 far 0 100 0 - 7.6-10.4 Violated in 20 structures by 1.95 A. Peak 9257 from aliabs.peaks (2.95, 0.79, 26.16 ppm; 6.34 A): 2 out of 6 assignments used, quality = 0.57: HB3 ASN 121 + QD2 LEU 122 OK 46 46 100 100 2.1-4.6 ~10290=80, 11092/2.1=80...(11) HB3 ASN 121 + QD1 LEU 53 OK 21 63 65 51 6.0-8.1 4.3/3900=28...(5) HB3 ASN 116 - QD2 LEU 122 far 11 70 15 - 5.9-8.5 HB3 ASN 116 - QD1 LEU 53 far 0 90 0 - 8.2-10.8 HB2 CYS 45 - QD1 LEU 53 far 0 93 0 - 9.0-10.2 HB2 CYS 45 - QD2 LEU 122 far 0 73 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 9258 from aliabs.peaks (3.40, 0.79, 26.16 ppm; 5.12 A): 0 out of 2 assignments used, quality = 0.00: HB3 HIS 67 - QD2 LEU 122 far 0 81 0 - 7.4-8.9 HB3 HIS 67 - QD1 LEU 53 far 0 99 0 - 9.4-11.1 Violated in 20 structures by 2.85 A. Peak 9259 from aliabs.peaks (4.34, 0.79, 26.16 ppm; 4.53 A): 0 out of 10 assignments used, quality = 0.00: HA CYS 125 - QD2 LEU 122 far 0 65 0 - 5.9-8.2 HA ASP 47 - QD1 LEU 53 far 0 100 0 - 6.0-7.3 HA ASN 59 - QD1 LEU 53 far 0 100 0 - 6.1-8.3 HA ASN 59 - QD2 LEU 122 far 0 83 0 - 6.2-9.3 HA CYS 125 - QD1 LEU 53 far 0 85 0 - 6.9-9.4 HA PRO 117 - QD2 LEU 122 far 0 48 0 - 7.1-9.0 HA PRO 113 - QD1 LEU 53 far 0 63 0 - 7.3-10.5 HA LEU 69 - QD2 LEU 122 far 0 77 0 - 8.0-9.9 HA PRO 117 - QD1 LEU 53 far 0 65 0 - 8.4-9.2 HA LEU 69 - QD1 LEU 53 far 0 97 0 - 8.7-10.2 Violated in 20 structures by 0.50 A. Peak 9260 from aliabs.peaks (4.35, 0.97, 25.20 ppm; 5.78 A increased from 4.87 A): 1 out of 5 assignments used, quality = 0.50: HA ASN 59 + QD2 LEU 53 OK 50 95 100 53 5.1-6.3 9387/10338=47, 10700/1683=10 HA PRO 113 - QD2 LEU 53 far 13 87 15 - 6.3-8.4 HA PRO 117 - QD2 LEU 53 far 4 89 5 - 6.3-7.8 HA ASP 47 - QD2 LEU 53 far 0 97 0 - 8.2-9.5 HA CYS 125 - QD2 LEU 53 far 0 98 0 - 8.4-9.6 Violated in 3 structures by 0.03 A. Peak 9263 from aliabs.peaks (4.18, 1.24, 21.56 ppm; 4.64 A increased from 3.91 A): 1 out of 2 assignments used, quality = 0.99: HA LEU 53 + QG2 THR 54 OK 99 100 100 99 4.5-4.6 3.6/6684=77, 3.0/9272=73...(7) HA GLU 128 - QG2 THR 54 far 0 97 0 - 9.8-11.6 Violated in 1 structures by 0.00 A. Peak 9269 from aliabs.peaks (2.04, 4.42, 61.58 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: HB3 GLU 55 + HA THR 54 OK 100 100 100 100 5.4-5.7 6693/3.6=100, ~9268=68...(8) HB2 LEU 62 - HA THR 54 far 0 93 0 - 9.5-11.6 HB2 GLN 127 - HA THR 54 far 0 100 0 - 9.8-11.7 HG3 PRO 113 - HA THR 54 far 0 93 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 9272 from aliabs.peaks (1.97, 1.24, 21.56 ppm; 4.17 A): 1 out of 2 assignments used, quality = 0.66: HB3 LEU 53 + QG2 THR 54 OK 66 71 100 94 2.9-3.6 3.0/9263=53, 3.1/9278=53...(5) HB2 GLU 55 - QG2 THR 54 far 0 78 0 - 4.8-6.7 Violated in 0 structures by 0.00 A. Peak 9275 from aliabs.peaks (0.90, 1.24, 21.56 ppm; 3.57 A increased from 3.17 A): 2 out of 7 assignments used, quality = 0.90: QD2 LEU 123 + QG2 THR 54 OK 76 81 100 94 2.1-3.5 11510=71, 2.1/11640=42...(8) QD1 LEU 123 + QG2 THR 54 OK 61 78 85 92 3.1-4.3 2.1/11583=70, 11640=39...(9) QD1 LEU 62 - QG2 THR 54 far 0 97 0 - 5.8-6.6 QD2 LEU 48 - QG2 THR 54 far 0 99 0 - 6.6-7.8 QD1 LEU 49 - QG2 THR 54 far 0 98 0 - 7.5-7.8 QD1 LEU 48 - QG2 THR 54 far 0 99 0 - 8.1-9.2 QG1 VAL 118 - QG2 THR 54 far 0 97 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 9277 from aliabs.peaks (0.92, 4.42, 61.58 ppm; 6.57 A increased from 5.84 A): 1 out of 5 assignments used, quality = 0.97: QD1 LEU 123 + HA THR 54 OK 97 97 100 100 5.6-6.4 ~11583=88, ~11510=86...(7) QD1 LEU 62 - HA THR 54 poor 18 100 75 24 5.8-7.4 9279/3.6=22 QD1 LEU 119 - HA THR 54 far 0 76 0 - 7.3-9.0 QG1 VAL 57 - HA THR 54 far 0 65 0 - 7.4-7.9 QD2 LEU 48 - HA THR 54 far 0 83 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 9278 from aliabs.peaks (0.78, 1.24, 21.56 ppm; 4.55 A increased from 4.28 A): 1 out of 7 assignments used, quality = 0.96: QD1 LEU 53 + QG2 THR 54 OK 96 97 100 100 4.0-4.9 11639/11583=76...(9) QD2 LEU 119 - QG2 THR 54 far 0 99 0 - 6.9-7.7 QD2 LEU 49 - QG2 THR 54 far 0 92 0 - 7.1-7.8 QD1 LEU 122 - QG2 THR 54 far 0 73 0 - 7.1-10.0 QD2 LEU 122 - QG2 THR 54 far 0 100 0 - 8.7-9.8 QD1 LEU 96 - QG2 THR 54 far 0 98 0 - 9.1-10.0 QD1 LEU 103 - QG2 THR 54 far 0 100 0 - 9.2-10.5 Violated in 3 structures by 0.03 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 1.8-2.2 4.8=64, 9283/3.0=54...(20) HD3 PRO 56 + HB2 GLU 55 OK 99 99 100 100 3.3-3.6 4.8=64, 4.8/6692=43...(25) 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 2.6-3.7 4.8=62, 9283/3.0=52...(27) HD3 PRO 56 + HB3 GLU 55 OK 94 99 95 100 3.6-4.8 4.8=62, 4.8/6693=42...(32) Violated in 0 structures by 0.00 A. Peak 9283 from aliabs.peaks (3.65, 2.45, 33.76 ppm; 4.50 A increased from 4.24 A): 1 out of 3 assignments used, quality = 0.98: HD2 PRO 56 + HG2 GLU 55 OK 98 98 100 100 3.7-4.6 10912=79, 9284/1.8=74...(26) HD3 PRO 56 - HG2 GLU 55 far 5 100 5 - 4.9-5.4 HD2 PRO 58 - HG2 GLU 55 far 0 57 0 - 7.5-9.6 Violated in 1 structures by 0.00 A. Peak 9284 from aliabs.peaks (3.65, 2.37, 33.76 ppm; 4.69 A increased from 4.42 A): 1 out of 3 assignments used, quality = 0.98: HD2 PRO 56 + HG3 GLU 55 OK 98 98 100 100 2.5-4.6 9291=86, 9283/1.8=83...(26) HD3 PRO 56 - HG3 GLU 55 far 10 100 10 - 3.6-5.7 HD2 PRO 58 - HG3 GLU 55 far 0 57 0 - 6.5-10.2 Violated in 0 structures by 0.00 A. Peak 9285 from aliabs.peaks (3.83, 2.45, 33.76 ppm; 6.80 A increased from 6.42 A): 2 out of 6 assignments used, quality = 0.48: HD2 PRO 81 + HG3 GLN 82 OK 35 35 100 100 3.9-7.2 ~11247=74, ~11250=67...(10) HD2 PRO 81 + HG2 GLN 82 OK 21 27 80 100 5.6-7.5 ~11247=74, ~11250=67...(10) HA LEU 62 - HG2 GLU 55 far 0 99 0 - 7.7-10.6 HD3 PRO 58 - HG2 GLU 55 far 0 99 0 - 8.5-10.3 HB2 SER 50 - HG2 GLU 55 far 0 100 0 - 8.8-10.9 HA LEU 123 - HG2 GLU 55 far 0 73 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 9286 from aliabs.peaks (3.88, 2.37, 33.76 ppm; 5.25 A): 0 out of 3 assignments used, quality = 0.00: HB3 SER 50 - HG3 GLU 55 far 0 100 0 - 8.1-11.5 HA2 GLY 2 - HG3 GLU 55 far 0 93 0 - 8.6-72.8 HA3 GLY 2 - HG3 GLU 55 far 0 92 0 - 9.7-72.6 Violated in 20 structures by 3.64 A. Peak 9287 from aliabs.peaks (1.58, 2.45, 33.76 ppm; 5.92 A): 0 out of 1 assignment used, quality = 0.00: HG LEU 49 - HG2 GLU 55 far 0 97 0 - 9.2-11.7 Violated in 20 structures by 3.64 A. Peak 9288 from aliabs.peaks (1.23, 2.45, 33.76 ppm; 5.16 A): 1 out of 6 assignments used, quality = 0.87: QG2 THR 54 + HG2 GLU 55 OK 87 90 100 96 3.6-5.1 4.2/6694=71, 9289/1.8=51...(5) HG12 ILE 80 - HG3 GLN 82 poor 10 50 20 - 4.4-7.8 QG2 THR 83 - HG2 GLN 82 far 2 44 5 - 5.8-7.4 HG12 ILE 80 - HG2 GLN 82 far 0 39 0 - 6.0-7.8 QG2 THR 83 - HG3 GLN 82 far 0 57 0 - 6.3-7.2 QG2 THR 65 - HG2 GLU 55 far 0 100 0 - 7.9-9.6 Violated in 0 structures by 0.00 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 2.7-6.3 9288/1.8=93, 4.2/6695=89...(5) QG2 THR 65 - HG3 GLU 55 far 0 95 0 - 8.4-10.7 Violated in 1 structures by 0.00 A. Peak 9291 from aliabs.peaks (2.36, 3.65, 49.73 ppm; 4.88 A increased from 4.33 A): 1 out of 2 assignments used, quality = 0.85: HG3 GLU 55 + HD2 PRO 56 OK 85 85 100 100 2.5-4.6 9284=97, 1.8/9283=88...(25) HG3 GLU 55 - HD3 PRO 56 far 15 98 15 - 3.6-5.7 Violated in 0 structures by 0.00 A. Peak 9292 from aliabs.peaks (0.93, 3.65, 49.73 ppm; 4.85 A): 1 out of 7 assignments used, quality = 0.82: QG1 VAL 57 + HD2 PRO 56 OK 82 83 100 99 4.3-4.8 10920/3.6=57...(10) QG1 VAL 57 - HD3 PRO 56 far 5 97 5 - 5.4-5.8 QD1 LEU 62 - HD2 PRO 56 far 0 72 0 - 7.8-9.0 QD1 LEU 62 - HD3 PRO 56 far 0 87 0 - 7.9-9.1 QD1 LEU 119 - HD3 PRO 56 far 0 99 0 - 9.1-10.2 QG2 VAL 112 - HD3 PRO 56 far 0 99 0 - 9.7-10.8 QD1 LEU 119 - HD2 PRO 56 far 0 87 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 9294 from aliabs.peaks (0.92, 2.45, 33.76 ppm; 4.24 A): 1 out of 8 assignments used, quality = 0.73: QG1 VAL 57 + HG2 GLU 55 OK 73 85 90 96 3.7-5.1 9315/3.0=55, ~9314=41...(8) QD1 LEU 62 - HG2 GLU 55 far 0 97 0 - 5.5-8.6 QD2 LEU 48 - HG2 GLU 55 far 0 63 0 - 6.7-8.1 QD1 LEU 123 - HG2 GLU 55 far 0 100 0 - 7.8-9.4 QD1 LEU 119 - HG2 GLU 55 far 0 92 0 - 8.8-11.6 QD1 LEU 48 - HG2 GLU 55 far 0 93 0 - 8.9-10.0 QD1 LEU 49 - HG2 GLU 55 far 0 97 0 - 9.0-11.1 QG1 VAL 20 - HG3 GLN 82 far 0 49 0 - 10.0-33.2 Violated in 2 structures by 0.08 A. Peak 9302 from aliabs.peaks (3.63, 2.09, 32.84 ppm; 3.93 A): 1 out of 2 assignments used, quality = 0.99: HD2 PRO 58 + HB VAL 57 OK 99 99 100 100 1.9-2.6 9309/2.1=77, 1.8/9303=71...(19) HD3 PRO 56 - HB VAL 57 far 0 81 0 - 8.1-8.2 Violated in 0 structures by 0.00 A. Peak 9303 from aliabs.peaks (3.82, 2.09, 32.84 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 58 + HB VAL 57 OK 100 100 100 100 3.4-3.9 9308/2.1=84, 1.8/9302=79...(17) HA LEU 62 - HB VAL 57 far 0 96 0 - 4.9-5.5 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 2 assignments used, quality = 0.97: HA ALA 52 + QG2 VAL 57 OK 97 97 100 100 2.7-3.3 2.1/9317=82, 10908=66...(15) HA3 GLY 114 - QG2 VAL 57 far 0 87 0 - 5.7-8.7 Violated in 0 structures by 0.00 A. Peak 9305 from aliabs.peaks (3.83, 0.86, 19.34 ppm; 3.62 A): 0 out of 4 assignments used, quality = 0.00: HA LEU 62 - QG2 VAL 57 far 10 100 10 - 4.0-4.6 HD3 PRO 58 - QG2 VAL 57 far 0 97 0 - 4.6-4.8 HA LEU 123 - QG2 VAL 57 far 0 81 0 - 8.1-8.7 HB2 SER 50 - QG2 VAL 57 far 0 99 0 - 9.0-9.4 Violated in 20 structures by 0.41 A. Peak 9306 from aliabs.peaks (3.62, 0.86, 19.34 ppm; 3.95 A increased from 3.72 A): 1 out of 4 assignments used, quality = 1.00: HD2 PRO 58 + QG2 VAL 57 OK 100 100 100 100 3.6-4.0 9309/2.1=82, 9302/2.1=71...(22) HD3 PRO 56 - QG2 VAL 57 far 0 71 0 - 5.2-5.5 HA3 GLY 66 - QG2 VAL 57 far 0 96 0 - 8.9-9.4 HA2 GLY 66 - QG2 VAL 57 far 0 99 0 - 9.1-9.7 Violated in 3 structures by 0.01 A. Peak 9307 from aliabs.peaks (4.13, 0.94, 21.27 ppm; 3.73 A): 2 out of 6 assignments used, quality = 1.00: HA ALA 52 + QG1 VAL 57 OK 99 99 100 100 3.3-3.9 2.1/9312=79, 9229=67...(16) HA GLN 101 + QG1 VAL 105 OK 34 50 100 67 3.0-4.0 3.8/11503=21, ~11501=20...(10) HA LEU 49 - QG1 VAL 57 far 0 87 0 - 6.2-7.2 HA LEU 48 - QG1 VAL 57 far 0 71 0 - 7.3-8.1 HA LEU 98 - QG1 VAL 105 far 0 50 0 - 7.3-8.2 HA3 GLY 114 - QG1 VAL 57 far 0 100 0 - 8.3-10.9 Violated in 0 structures by 0.00 A. Peak 9308 from aliabs.peaks (3.82, 0.94, 21.27 ppm; 3.45 A): 1 out of 6 assignments used, quality = 1.00: HD3 PRO 58 + QG1 VAL 57 OK 100 100 100 100 3.0-3.3 1.8/9309=73, 3.9=68...(19) HA LEU 62 - QG1 VAL 57 far 0 96 0 - 5.2-5.8 HB2 SER 9 - QG1 VAL 105 far 0 61 0 - 6.8-36.1 HB3 SER 9 - QG1 VAL 105 far 0 42 0 - 7.7-34.9 HA VAL 118 - QG1 VAL 105 far 0 52 0 - 9.4-10.4 HA LEU 123 - QG1 VAL 57 far 0 63 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 9309 from aliabs.peaks (3.62, 0.94, 21.27 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: HD2 PRO 58 + QG1 VAL 57 OK 100 100 100 100 2.2-2.6 1.8/9308=70, 3.9=66...(21) HA3 GLY 66 - QG1 VAL 105 far 0 52 0 - 9.7-10.5 HA3 GLY 66 - QG1 VAL 57 far 0 87 0 - 9.9-10.9 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 3 assignments used, quality = 0.00: HG LEU 62 - QG1 VAL 57 far 0 78 0 - 4.4-5.0 HB2 LEU 98 - QG1 VAL 105 far 0 47 0 - 9.4-10.3 HB2 LEU 123 - QG1 VAL 57 far 0 87 0 - 9.7-11.3 Violated in 20 structures by 0.91 A. Peak 9312 from aliabs.peaks (1.48, 0.94, 21.27 ppm; 3.25 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 52 + QG1 VAL 57 OK 99 100 100 99 2.6-3.2 9317/2.1=67, 9241/2.1=50...(15) HB2 LEU 49 - QG1 VAL 57 far 0 81 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 9314 from aliabs.peaks (1.98, 0.86, 19.34 ppm; 3.96 A increased from 3.52 A): 1 out of 4 assignments used, quality = 0.94: HB2 GLU 55 + QG2 VAL 57 OK 94 97 100 98 3.6-3.9 9315/2.1=77...(11) HG2 PRO 56 - QG2 VAL 57 far 0 63 0 - 5.0-5.3 HB3 PRO 56 - QG2 VAL 57 far 0 81 0 - 5.3-5.5 HB3 LEU 53 - QG2 VAL 57 far 0 93 0 - 5.4-6.0 Violated in 0 structures by 0.00 A. Peak 9315 from aliabs.peaks (1.98, 0.94, 21.27 ppm; 3.71 A increased from 3.30 A): 1 out of 6 assignments used, quality = 0.93: HB2 GLU 55 + QG1 VAL 57 OK 93 99 100 93 3.3-3.8 9314/2.1=66, 3.0/9294=37...(10) HG2 PRO 56 - QG1 VAL 57 far 11 73 15 - 4.2-4.6 HB3 PRO 56 - QG1 VAL 57 far 0 89 0 - 5.5-5.8 HG3 PRO 56 - QG1 VAL 57 far 0 65 0 - 5.5-6.0 HB3 LEU 53 - QG1 VAL 57 far 0 97 0 - 7.5-8.0 HB3 MET 11 - QG1 VAL 105 far 0 33 0 - 8.9-31.1 Violated in 3 structures by 0.01 A. Peak 9316 from aliabs.peaks (1.65, 0.86, 19.34 ppm; 3.47 A): 1 out of 2 assignments used, quality = 0.96: HG LEU 62 + QG2 VAL 57 OK 96 98 100 98 2.2-3.1 2.1/9319=75, 9311/2.1=35...(10) HB2 LEU 123 - QG2 VAL 57 far 0 100 0 - 7.5-9.0 Violated in 0 structures by 0.00 A. Peak 9317 from aliabs.peaks (1.48, 0.86, 19.34 ppm; 3.02 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 52 + QG2 VAL 57 OK 99 100 100 99 1.8-2.6 9312/2.1=54, 10964=50...(19) HB2 LEU 49 - QG2 VAL 57 far 0 96 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. Peak 9318 from aliabs.peaks (1.25, 0.86, 19.34 ppm; 4.23 A): 0 out of 2 assignments used, quality = 0.00: QG2 THR 54 - QG2 VAL 57 far 0 97 0 - 5.1-6.1 QG2 THR 65 - QG2 VAL 57 far 0 71 0 - 6.0-6.5 Violated in 20 structures by 1.14 A. Peak 9319 from aliabs.peaks (0.69, 0.86, 19.34 ppm; 3.09 A): 1 out of 2 assignments used, quality = 0.85: QD2 LEU 62 + QG2 VAL 57 OK 85 87 100 98 2.0-2.6 10032=55, 2.1/9316=53...(11) QD2 LEU 100 - QG2 VAL 57 far 0 90 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 9321 from aliabs.peaks (1.46, 2.09, 32.84 ppm; 5.29 A): 1 out of 1 assignment used, quality = 0.85: QB ALA 52 + HB VAL 57 OK 85 85 100 100 3.4-4.1 9317/2.1=85, 9312/2.1=83...(17) Violated in 0 structures by 0.00 A. Peak 9322 from aliabs.peaks (2.00, 4.59, 58.62 ppm; 4.65 A increased from 4.38 A): 2 out of 5 assignments used, quality = 0.96: HG2 PRO 56 + HA VAL 57 OK 84 100 100 84 5.1-5.1 ~9292=37, 6700/3.0=22...(10) HG2 PRO 58 + HA VAL 57 OK 73 73 100 100 4.4-4.6 ~9309=47, ~9308=47...(22) HB3 PRO 56 - HA VAL 57 far 0 100 0 - 5.6-5.7 HB2 GLU 55 - HA VAL 57 far 0 96 0 - 5.7-5.9 HG3 PRO 56 - HA VAL 57 far 0 99 0 - 6.4-6.5 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 6 assignments used, quality = 1.00: QG1 VAL 57 + HD2 PRO 58 OK 100 100 100 100 2.2-2.6 3.9=100 QD1 LEU 62 - HD2 PRO 58 far 0 63 0 - 5.9-6.5 QD2 LEU 53 - HD2 PRO 58 far 0 71 0 - 7.3-8.8 QG2 VAL 112 - HD2 PRO 58 far 0 87 0 - 7.6-8.7 QD1 LEU 119 - HD2 PRO 58 far 0 100 0 - 8.6-9.2 QG1 VAL 112 - HD2 PRO 58 far 0 73 0 - 8.7-10.1 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 1 assignment used, quality = 0.93: QG2 VAL 57 + HD2 PRO 58 OK 93 93 100 100 3.6-4.0 4.6=100 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 6 assignments used, quality = 1.00: QG1 VAL 57 + HD3 PRO 58 OK 100 100 100 100 3.0-3.3 3.9=100 QD1 LEU 62 - HD3 PRO 58 far 0 63 0 - 6.7-7.4 QG2 VAL 112 - HD3 PRO 58 far 0 87 0 - 6.8-8.0 QG1 VAL 112 - HD3 PRO 58 far 0 73 0 - 8.1-9.4 QD2 LEU 53 - HD3 PRO 58 far 0 71 0 - 8.4-9.7 QD1 LEU 119 - HD3 PRO 58 far 0 100 0 - 8.7-9.6 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 1 assignment used, quality = 0.87: QG2 VAL 57 + HD3 PRO 58 OK 87 87 100 100 4.6-4.8 4.6=100 Violated in 2 structures by 0.00 A. Peak 9327 from aliabs.peaks (0.81, 1.95, 32.16 ppm; 6.80 A): 9 out of 25 assignments used, quality = 1.00: HG13 ILE 80 + HB3 PRO 81 OK 85 85 100 100 6.3-7.4 ~11281=78, ~11248=74...(27) QG2 ILE 80 + HB3 PRO 81 OK 84 84 100 100 4.1-4.8 11281/1.8=99...(32) QD2 LEU 119 + HB2 PRO 58 OK 74 78 100 95 6.0-7.0 10927/2.3=93, 10993/9333=19 HG13 ILE 80 + HB3 LYS 86 OK 65 65 100 100 5.9-7.1 3.2/11240=100...(34) QG2 ILE 80 + HB3 LYS 86 OK 64 64 100 100 2.6-3.7 9819/3.0=100, 11240=100...(39) QG1 VAL 133 + HB3 PRO 81 OK 45 47 100 97 6.2-7.1 ~11757=81, ~10575=40...(9) QD1 LEU 122 + HB3 LYS 95 OK 28 92 55 55 4.9-8.4 9498/11658=29...(9) QD2 LEU 122 + HB3 LYS 95 OK 26 61 95 44 4.7-7.9 11828/11652=12...(8) QD2 LEU 122 + HB2 LYS 95 OK 20 54 85 44 5.2-8.8 10378/11650=12...(9) QD1 LEU 122 - HB2 LYS 95 poor 17 85 20 - 5.4-8.9 QG2 ILE 129 - HB2 LYS 95 far 12 77 15 - 7.0-7.7 QD1 LEU 70 - HB2 LYS 95 far 0 86 0 - 7.5-8.0 QD2 LEU 22 - HB3 LYS 86 far 0 30 0 - 7.8-24.6 QD1 LEU 70 - HB3 LYS 95 far 0 93 0 - 8.0-8.6 QG2 ILE 129 - HB3 LYS 95 far 0 85 0 - 8.0-9.1 QG1 VAL 63 - HB2 PRO 58 far 0 60 0 - 8.0-8.3 QG2 ILE 129 - HB3 LYS 86 far 0 57 0 - 8.4-9.1 QD2 LEU 49 - HB2 LYS 95 far 0 76 0 - 8.4-9.6 QD2 LEU 49 - HB3 LYS 95 far 0 83 0 - 8.6-9.8 QG1 VAL 133 - HB3 LYS 86 far 0 34 0 - 8.6-10.1 QD1 LEU 53 - HB3 LYS 95 far 0 76 0 - 8.8-11.3 QD1 LEU 53 - HB2 PRO 58 far 0 87 0 - 9.0-11.5 QD1 LEU 53 - HB2 LYS 95 far 0 69 0 - 9.0-12.0 QD1 LEU 122 - HB2 PRO 58 far 0 100 0 - 9.4-12.8 QD2 LEU 122 - HB2 PRO 58 far 0 71 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 9353 from aliabs.peaks (1.40, 2.61, 38.13 ppm; 5.34 A): 1 out of 4 assignments used, quality = 0.95: QB ALA 109 + HB2 ASN 59 OK 95 97 100 98 3.0-4.3 9356/1.8=78...(9) QB ALA 108 - HB2 ASN 59 far 4 87 5 - 5.7-6.7 QB ALA 110 - HB2 ASN 59 far 0 92 0 - 6.0-8.2 HB3 LEU 100 - HB2 ASN 59 far 0 73 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 9354 from aliabs.peaks (0.91, 2.61, 38.13 ppm; 4.35 A): 3 out of 5 assignments used, quality = 1.00: QD1 LEU 62 + HB2 ASN 59 OK 100 100 100 100 4.4-4.9 9388/3.0=72, 10947=61...(27) QG2 VAL 63 + HB2 ASN 59 OK 100 100 100 100 3.5-4.2 10967=94, 10968/1.8=55...(13) QD1 LEU 119 + HB2 ASN 59 OK 28 63 60 75 4.5-5.4 2.1/9355=29, ~9363=20...(11) QG1 VAL 118 - HB2 ASN 59 far 0 89 0 - 5.0-6.4 QG2 VAL 112 - HB2 ASN 59 far 0 95 0 - 5.4-6.6 Violated in 0 structures by 0.00 A. Peak 9355 from aliabs.peaks (0.78, 2.61, 38.13 ppm; 4.65 A): 2 out of 7 assignments used, quality = 1.00: QD1 LEU 103 + HB2 ASN 59 OK 100 100 100 100 1.9-2.8 11833=100, 11834/1.8=88...(20) QD2 LEU 119 + HB2 ASN 59 OK 79 97 100 81 3.1-4.0 9363/1.8=32...(12) QG1 VAL 63 - HB2 ASN 59 far 0 100 0 - 6.0-6.7 QD2 LEU 122 - HB2 ASN 59 far 0 99 0 - 6.2-9.1 QD1 LEU 122 - HB2 ASN 59 far 0 63 0 - 6.4-9.2 QD1 LEU 53 - HB2 ASN 59 far 0 92 0 - 7.6-9.5 QD2 LEU 49 - HB2 ASN 59 far 0 85 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 9356 from aliabs.peaks (1.41, 2.87, 38.13 ppm; 4.85 A): 1 out of 2 assignments used, quality = 0.72: QB ALA 109 + HB3 ASN 59 OK 72 78 100 91 1.9-3.7 9353/1.8=62, 9359/3.0=35...(8) QB ALA 110 - HB3 ASN 59 lone 4 65 35 16 4.7-6.7 9349/6718=11, 9346/3.5=3 Violated in 0 structures by 0.00 A. Peak 9357 from aliabs.peaks (0.91, 2.87, 38.13 ppm; 5.13 A increased from 4.56 A): 4 out of 6 assignments used, quality = 1.00: QG2 VAL 63 + HB3 ASN 59 OK 100 100 100 100 4.3-5.1 10967/1.8=94, 10968=70...(13) QD1 LEU 62 + HB3 ASN 59 OK 90 100 90 100 4.6-5.8 9388/3.0=89...(27) QG2 VAL 112 + HB3 ASN 59 OK 54 97 100 56 4.3-5.7 11496/9356=49...(3) QD1 LEU 119 + HB3 ASN 59 OK 49 71 85 81 4.8-6.2 2.1/9363=35, ~9355=29...(9) QG1 VAL 118 - HB3 ASN 59 far 0 83 0 - 6.3-7.8 QG1 VAL 57 - HB3 ASN 59 far 0 60 0 - 8.1-8.5 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 13 assignments used, quality = 0.97: QB ALA 109 + HA ASN 59 OK 92 97 100 94 3.9-5.3 9353/3.0=55, 9356/3.0=55...(8) HG2 LYS 24 + HA LYS 24 OK 68 68 100 100 2.8-3.5 4.1=100 QB ALA 28 - HA LYS 24 far 4 83 5 - 4.8-13.4 QB ALA 34 - HA LYS 24 far 0 76 0 - 5.7-14.1 QB ALA 110 - HA ASN 59 far 0 92 0 - 6.4-8.2 HG3 LYS 26 - HA LYS 24 far 0 78 0 - 6.9-8.6 QB ALA 108 - HA ASN 59 far 0 87 0 - 7.4-8.5 HG3 LYS 31 - HA LYS 24 far 0 84 0 - 7.6-20.0 QB ALA 29 - HA LYS 24 far 0 72 0 - 8.4-15.1 HG2 LYS 19 - HA LYS 24 far 0 54 0 - 8.9-13.3 HB2 LEU 42 - HA ASP 47 far 0 37 0 - 9.8-10.4 QB ALA 16 - HA LYS 24 far 0 90 0 - 9.9-16.6 HB3 LEU 100 - HA ASN 59 far 0 73 0 - 9.9-10.7 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 6 assignments used, quality = 1.00: HB3 LEU 62 + HA ASN 59 OK 99 99 100 100 2.5-4.9 1.8/1880=98, 3.2/9388=89...(24) QG2 THR 25 + HA LYS 24 OK 52 52 100 99 4.7-5.3 10697/3.0=84...(9) QG2 THR 115 - HA ASN 59 poor 9 81 30 39 5.4-6.6 10196/9359=19...(3) HG12 ILE 32 - HA LYS 24 far 0 90 0 - 7.3-14.3 QG2 THR 18 - HA LYS 24 far 0 78 0 - 8.0-11.8 QG2 VAL 132 - HA ASP 47 far 0 56 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 9361 from aliabs.peaks (0.92, 4.33, 56.25 ppm; 3.94 A): 2 out of 14 assignments used, quality = 1.00: QD1 LEU 62 + HA ASN 59 OK 100 100 100 100 2.7-3.4 9388=100, 3.2/1880=52...(18) QG2 VAL 63 + HA ASN 59 OK 95 99 100 96 3.8-4.5 10967/3.0=49...(14) QD1 LEU 119 - HA ASN 59 poor 12 81 25 59 4.2-5.3 2.1/10700=19, ~9355=13...(9) QD1 LEU 49 - HA ASP 47 far 3 59 5 - 4.5-5.7 QD2 LEU 48 - HA ASP 47 far 0 40 0 - 5.4-6.6 QD1 LEU 123 - HA ASP 47 far 0 57 0 - 5.5-6.2 QG1 VAL 118 - HA ASN 59 far 0 73 0 - 5.6-7.0 QG2 VAL 112 - HA ASN 59 far 0 99 0 - 5.8-6.8 QG2 VAL 20 - HA LYS 24 far 0 61 0 - 5.8-8.6 QD1 LEU 48 - HA ASP 47 far 0 57 0 - 6.3-6.8 QG1 VAL 57 - HA ASN 59 far 0 71 0 - 6.6-6.8 QG1 VAL 20 - HA LYS 24 far 0 87 0 - 7.7-10.0 QD1 LEU 49 - HA ASN 59 far 0 100 0 - 9.6-10.3 QD1 LEU 62 - HA ASP 47 far 0 59 0 - 9.8-10.6 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 8 assignments used, quality = 0.92: QD2 LEU 103 + HA ASN 59 OK 92 92 100 100 3.2-3.9 10350=84, 11829/3.0=60...(26) QD2 LEU 43 - HA ASP 47 far 0 59 0 - 5.5-6.3 QD1 ILE 32 - HA LYS 24 far 0 70 0 - 6.7-12.1 HG12 ILE 129 - HA ASP 47 far 0 60 0 - 8.1-11.1 QG1 VAL 93 - HA LYS 24 far 0 91 0 - 8.5-22.3 QD2 LEU 96 - HA ASP 47 far 0 60 0 - 8.5-9.9 QD1 LEU 96 - HA ASP 47 far 0 35 0 - 8.6-9.0 QD1 LEU 96 - HA ASN 59 far 0 71 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 9363 from aliabs.peaks (0.77, 2.87, 38.13 ppm; 4.62 A): 2 out of 6 assignments used, quality = 0.99: QD1 LEU 103 + HB3 ASN 59 OK 98 98 100 100 3.3-4.4 11834=95, 11833/1.8=82...(20) QD2 LEU 119 + HB3 ASN 59 OK 67 89 100 76 3.5-4.7 9355/1.8=34...(12) QG1 VAL 63 - HB3 ASN 59 far 0 97 0 - 6.8-7.6 QD2 LEU 122 - HB3 ASN 59 far 0 93 0 - 7.7-10.5 QD1 LEU 53 - HB3 ASN 59 far 0 81 0 - 8.2-10.6 QD2 LEU 49 - HB3 ASN 59 far 0 71 0 - 9.7-10.2 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 3 assignments used, quality = 1.00: HG LEU 103 + HB3 ASN 59 OK 100 100 100 100 4.5-5.3 2.1/11834=99...(20) HB2 LEU 103 + HB3 ASN 59 OK 51 85 60 100 7.0-7.9 3.2/11834=98...(19) HB2 LEU 119 + HB3 ASN 59 OK 20 95 25 87 6.8-8.3 3.1/9363=40, ~9355=37...(9) Violated in 0 structures by 0.00 A. Peak 9365 from aliabs.peaks (1.55, 2.61, 38.13 ppm; 5.87 A): 2 out of 3 assignments used, quality = 1.00: HG LEU 103 + HB2 ASN 59 OK 100 100 100 100 3.0-3.6 2.1/11833=99...(19) HB2 LEU 103 + HB2 ASN 59 OK 76 76 100 100 5.3-6.1 3.2/11833=91...(19) HB2 LEU 119 - HB2 ASN 59 far 15 98 15 - 6.3-7.0 Violated in 0 structures by 0.00 A. Peak 9366 from aliabs.peaks (7.14, 4.01, 60.84 ppm; 5.10 A): 1 out of 2 assignments used, quality = 0.68: QD TYR 72 + HA ILE 37 OK 68 68 100 100 3.6-4.5 9022/3.2=87, 2.2/9367=81...(27) HD2 HIS 67 - HA SER 60 far 0 87 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 9367 from aliabs.peaks (6.81, 4.01, 60.84 ppm; 4.85 A): 1 out of 1 assignment used, quality = 0.71: QE TYR 72 + HA ILE 37 OK 71 71 100 100 4.0-4.8 9021/3.2=76, 2.2/9366=70...(17) Violated in 0 structures by 0.00 A. Peak 9377 from aliabs.peaks (0.94, 2.28, 33.67 ppm; 3.81 A): 1 out of 6 assignments used, quality = 1.00: QG1 VAL 57 + HG2 GLN 61 OK 100 100 100 100 2.0-3.9 10937/1.8=70...(25) QD2 LEU 53 - HG2 GLN 61 far 0 81 0 - 6.3-8.0 QD1 LEU 119 - HG2 GLN 61 far 0 99 0 - 9.2-10.6 QG2 VAL 126 - HG2 GLN 61 far 0 89 0 - 9.3-11.1 QG1 VAL 126 - HG2 GLN 61 far 0 97 0 - 9.4-10.9 QG2 VAL 112 - HG2 GLN 61 far 0 78 0 - 9.6-11.0 Violated in 1 structures by 0.01 A. Peak 9378 from aliabs.peaks (0.87, 2.10, 28.56 ppm; 4.27 A increased from 3.79 A): 1 out of 10 assignments used, quality = 0.89: QG2 VAL 57 + HB3 GLN 61 OK 89 89 100 100 3.7-4.5 10938/3.0=66...(30) QG1 VAL 118 - HB2 GLU 102 poor 9 45 20 - 2.7-5.3 QD1 LEU 98 - HB2 GLU 102 far 8 50 15 - 3.9-6.6 QG2 VAL 57 - HB2 GLN 61 far 0 88 0 - 4.9-5.6 QD2 LEU 98 - HB2 GLU 102 far 0 58 0 - 6.1-7.6 QD2 LEU 48 - HB2 GLN 61 far 0 80 0 - 7.3-9.7 QD2 LEU 48 - HB3 GLN 61 far 0 81 0 - 7.4-9.7 QG1 VAL 118 - HB3 GLN 61 far 0 85 0 - 9.0-10.2 QD2 LEU 70 - HB2 GLU 102 far 0 48 0 - 9.4-10.5 QG2 VAL 20 - HB3 GLN 82 far 0 50 0 - 9.7-30.2 Violated in 2 structures by 0.01 A. Peak 9379 from aliabs.peaks (0.88, 4.28, 57.75 ppm; 5.42 A increased from 4.56 A): 1 out of 6 assignments used, quality = 0.57: QG2 VAL 63 + HA GLN 61 OK 57 60 100 96 5.0-5.5 4.4/6819=64, 3.7/6803=55...(7) QG2 VAL 57 - HA GLN 61 far 11 73 15 - 5.9-6.5 QD2 LEU 48 - HA GLN 61 far 0 93 0 - 7.2-9.5 QD1 LEU 48 - HA GLN 61 far 0 63 0 - 7.4-8.6 QG1 VAL 118 - HA GLN 61 far 0 96 0 - 9.3-10.5 QD2 LEU 69 - HA GLN 61 far 0 92 0 - 9.6-10.2 Violated in 1 structures by 0.01 A. Peak 9386 from aliabs.peaks (3.37, 0.68, 23.19 ppm; 3.95 A): 2 out of 5 assignments used, quality = 0.86: HA VAL 63 + QD2 LEU 100 OK 82 82 100 100 1.8-2.5 9397=100, 3.2/10974=63...(25) HB2 HIS 67 + QD2 LEU 100 OK 24 54 45 98 3.6-5.4 3.8/9461=44...(14) HA VAL 63 - QD2 LEU 62 far 0 100 0 - 5.4-5.7 HB2 HIS 67 - QD2 LEU 62 far 0 73 0 - 8.5-10.2 HB3 TYR 72 - QD2 LEU 100 far 0 50 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 9387 from aliabs.peaks (4.32, 0.68, 23.19 ppm; 5.09 A increased from 4.28 A): 1 out of 5 assignments used, quality = 0.92: HA ASN 59 + QD2 LEU 62 OK 92 92 100 100 4.8-5.1 9388/2.1=90...(19) HA ASN 59 - QD2 LEU 100 far 0 71 0 - 6.7-7.4 HA LEU 69 - QD2 LEU 100 far 0 43 0 - 7.4-7.8 HA ASP 47 - QD2 LEU 62 far 0 87 0 - 8.2-8.6 HA LEU 69 - QD2 LEU 62 far 0 60 0 - 9.8-10.3 Violated in 2 structures by 0.00 A. Peak 9388 from aliabs.peaks (4.33, 0.91, 26.02 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: HA ASN 59 + QD1 LEU 62 OK 100 100 100 100 2.7-3.4 9361=71, 1880/3.2=49...(18) HA ASP 47 - QD1 LEU 62 far 0 100 0 - 9.8-10.6 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 2 assignments used, quality = 0.00: QB ALA 109 - QD1 LEU 62 far 0 68 0 - 5.5-6.3 HG LEU 96 - QD1 LEU 62 far 0 90 0 - 9.5-10.4 Violated in 20 structures by 1.30 A. Peak 9395 from aliabs.peaks (0.77, 2.06, 42.10 ppm; 4.44 A): 3 out of 8 assignments used, quality = 1.00: QD1 LEU 103 + HB2 LEU 62 OK 98 98 100 100 3.3-4.5 ~11823=65, ~11721=62...(18) QD2 LEU 119 + HB2 LEU 62 OK 88 89 100 99 3.0-3.8 10992/3.0=57...(25) QD1 LEU 53 + HB2 LEU 62 OK 35 81 45 97 3.9-6.2 ~10338=48, ~10338=45...(13) QD2 LEU 49 - HB2 LEU 62 poor 18 71 25 - 4.2-5.5 QD2 LEU 122 - HB2 LEU 62 far 14 93 15 - 4.0-7.1 QG1 VAL 63 - HB2 LEU 62 far 0 97 0 - 5.5-5.9 QD1 LEU 96 - HB2 LEU 62 far 0 100 0 - 6.7-8.1 QD2 LEU 96 - HB2 LEU 62 far 0 76 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 9397 from aliabs.peaks (0.68, 3.36, 66.55 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 100 + HA VAL 63 OK 100 100 100 100 1.8-2.5 9386=100, 10974/3.2=54...(25) QD2 LEU 62 - HA VAL 63 far 0 100 0 - 5.4-5.7 Violated in 0 structures by 0.00 A. Peak 9398 from aliabs.peaks (1.38, 3.36, 66.55 ppm; 5.05 A): 1 out of 4 assignments used, quality = 0.99: HB3 LEU 100 + HA VAL 63 OK 99 99 100 100 4.1-5.2 3.2/9386=91...(22) HG LEU 96 - HA VAL 63 far 0 90 0 - 8.1-8.9 HB2 LEU 96 - HA VAL 63 far 0 100 0 - 8.9-9.6 QB ALA 109 - HA VAL 63 far 0 99 0 - 9.1-10.2 Violated in 1 structures by 0.00 A. Peak 9399 from aliabs.peaks (1.80, 3.36, 66.55 ppm; 5.07 A): 2 out of 5 assignments used, quality = 0.99: HB3 LEU 103 + HA VAL 63 OK 98 98 100 100 4.1-4.7 3.1/11832=83...(26) HG LEU 100 + HA VAL 63 OK 60 60 100 100 3.9-5.2 2.1/9386=100...(22) HB2 LEU 100 - HA VAL 63 poor 17 83 20 - 5.5-6.4 HB3 LEU 122 - HA VAL 63 far 0 96 0 - 6.2-7.0 HB2 LEU 48 - HA VAL 63 far 0 76 0 - 9.4-10.1 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 1.8-3.8 11522=100, 11440/2.1=70...(22) HG3 GLN 61 - QG1 VAL 63 far 0 63 0 - 7.3-7.6 HG3 GLU 97 - QG1 VAL 63 far 0 78 0 - 9.4-10.1 HB3 PRO 58 - QG1 VAL 63 far 0 57 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 9401 from aliabs.peaks (2.46, 0.78, 21.57 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.96: HG3 GLN 104 + QG1 VAL 63 OK 96 96 100 100 2.2-3.9 11443=90, 1.8/11522=84...(20) Violated in 0 structures by 0.00 A. Peak 9406 from aliabs.peaks (7.14, 0.78, 21.57 ppm; 3.90 A increased from 3.47 A): 1 out of 1 assignment used, quality = 0.84: HD2 HIS 67 + QG1 VAL 63 OK 84 87 100 97 3.6-3.9 9470=68, 11007/10974=37...(9) Violated in 1 structures by 0.00 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): 1 out of 9 assignments used, quality = 1.00: QG1 VAL 63 + HA ASP 64 OK 100 100 100 100 3.0-3.7 10980=99, 6825/2.9=66...(23) QD2 LEU 49 - HA ASP 64 far 0 83 0 - 6.6-6.9 QD1 LEU 122 - HA ASP 64 far 0 60 0 - 6.8-9.4 QD2 LEU 122 - HA ASP 64 far 0 98 0 - 7.8-9.5 QD1 LEU 96 - HA ASP 64 far 0 100 0 - 7.8-8.2 QD1 LEU 103 - HA ASP 64 far 0 100 0 - 8.6-9.3 QD2 LEU 96 - HA ASP 64 far 0 63 0 - 9.3-10.1 QD1 LEU 53 - HA ASP 64 far 0 90 0 - 9.4-10.4 QD2 LEU 119 - HA ASP 64 far 0 96 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 9412 from aliabs.peaks (0.89, 4.45, 57.70 ppm; 5.59 A): 1 out of 7 assignments used, quality = 0.83: QG2 VAL 63 + HA ASP 64 OK 83 83 100 100 5.3-5.3 2.1/10980=99...(19) QD1 LEU 49 - HA ASP 64 far 0 78 0 - 6.8-7.8 QD1 LEU 48 - HA ASP 64 far 0 85 0 - 7.5-8.1 QD2 LEU 69 - HA ASP 64 far 0 73 0 - 7.6-8.0 QD2 LEU 48 - HA ASP 64 far 0 100 0 - 8.4-10.2 QD1 LEU 62 - HA ASP 64 far 0 76 0 - 8.9-9.0 QG1 VAL 118 - HA ASP 64 far 0 100 0 - 9.3-10.0 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 4.1-5.4 10988/1.8=92...(17) QD2 LEU 49 - HB2 ASP 64 far 0 100 0 - 6.8-7.9 QD1 LEU 122 - HB2 ASP 64 far 0 99 0 - 7.4-10.4 QD2 LEU 122 - HB2 ASP 64 far 0 95 0 - 8.3-10.9 QD1 LEU 53 - HB2 ASP 64 far 0 99 0 - 8.5-11.0 QD1 LEU 103 - HB2 ASP 64 far 0 87 0 - 8.7-9.9 QD1 LEU 96 - HB2 ASP 64 far 0 68 0 - 8.8-9.7 QD2 LEU 119 - HB2 ASP 64 far 0 97 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 9414 from aliabs.peaks (0.90, 2.75, 40.01 ppm; 6.08 A increased from 5.72 A): 1 out of 6 assignments used, quality = 0.96: QG2 VAL 63 + HB2 ASP 64 OK 96 96 100 100 5.7-6.0 6826/2048=91...(17) QD2 LEU 48 - HB2 ASP 64 far 15 100 15 - 6.5-9.6 QD1 LEU 48 - HB2 ASP 64 lone 11 97 70 17 6.0-8.1 9418/9429=8, 9415/4.6=7 QD1 LEU 49 - HB2 ASP 64 far 0 93 0 - 6.7-8.1 QD1 LEU 62 - HB2 ASP 64 far 0 92 0 - 8.1-9.2 QG1 VAL 118 - HB2 ASP 64 far 0 100 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 9418 from aliabs.peaks (0.91, 3.97, 66.33 ppm; 4.33 A): 2 out of 7 assignments used, quality = 1.00: QD1 LEU 48 + HA THR 65 OK 100 100 100 100 3.6-4.3 11848/2074=41, ~9441=38...(27) QD1 LEU 49 + HA THR 65 OK 99 99 100 100 3.5-4.4 10966/3.2=71...(30) QD2 LEU 48 - HA THR 65 far 0 97 0 - 5.1-6.5 QG2 VAL 63 - HA THR 65 far 0 100 0 - 7.4-7.4 QD1 LEU 62 - HA THR 65 far 0 99 0 - 8.2-8.6 QG1 VAL 118 - HA THR 65 far 0 95 0 - 9.9-10.8 QD1 LEU 123 - HA THR 65 far 0 85 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 9419 from aliabs.peaks (0.80, 3.97, 66.33 ppm; 5.51 A): 1 out of 9 assignments used, quality = 1.00: QD2 LEU 49 + HA THR 65 OK 100 100 100 100 4.5-5.0 9431/2074=89, ~9421=67...(30) QD1 LEU 122 - HA THR 65 far 0 97 0 - 6.2-9.0 QG1 VAL 63 - HA THR 65 far 0 93 0 - 6.3-6.6 QD1 LEU 96 - HA THR 65 far 0 76 0 - 6.6-7.0 QD1 LEU 53 - HA THR 65 far 0 100 0 - 7.3-8.0 QD2 LEU 122 - HA THR 65 far 0 97 0 - 7.6-9.1 QD1 LEU 70 - HA THR 65 far 0 90 0 - 9.5-9.9 QD1 LEU 103 - HA THR 65 far 0 92 0 - 9.6-10.4 QD2 LEU 119 - HA THR 65 far 0 99 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 9421 from aliabs.peaks (0.90, 4.06, 67.71 ppm; 3.84 A): 1 out of 8 assignments used, quality = 0.97: QD1 LEU 49 + HB THR 65 OK 97 97 100 100 3.0-3.8 10966/2.1=72, ~9431=47...(24) QD1 LEU 48 - HB THR 65 far 0 99 0 - 4.7-5.3 QD2 LEU 48 - HB THR 65 far 0 99 0 - 5.0-6.5 QD1 LEU 62 - HB THR 65 far 0 97 0 - 5.8-6.2 QG2 VAL 63 - HB THR 65 far 0 99 0 - 6.2-6.3 QD1 LEU 123 - HB THR 65 far 0 76 0 - 7.9-8.8 QG1 VAL 118 - HB THR 65 far 0 98 0 - 8.1-9.1 QD2 LEU 123 - HB THR 65 far 0 83 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 9422 from aliabs.peaks (0.79, 4.06, 67.71 ppm; 4.62 A): 2 out of 9 assignments used, quality = 1.00: QD2 LEU 49 + HB THR 65 OK 100 100 100 100 2.6-3.2 9431/2.1=90, 2.1/9421=90...(29) QD1 LEU 122 + HB THR 65 OK 27 96 85 33 4.7-7.4 9434/6853=14...(6) QD1 LEU 53 - HB THR 65 poor 7 100 30 23 5.0-5.7 1552/9424=7...(5) QD1 LEU 96 - HB THR 65 far 0 81 0 - 5.7-6.3 QD2 LEU 122 - HB THR 65 far 0 99 0 - 5.7-7.6 QG1 VAL 63 - HB THR 65 far 0 96 0 - 6.2-6.4 QD2 LEU 119 - HB THR 65 far 0 100 0 - 7.6-8.1 QD1 LEU 103 - HB THR 65 far 0 95 0 - 7.7-8.5 QD1 LEU 70 - HB THR 65 far 0 87 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 9423 from aliabs.peaks (0.68, 4.06, 67.71 ppm; 5.22 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 62 + HB THR 65 OK 98 99 100 99 3.6-4.0 9432/2.1=89...(6) QD2 LEU 100 + HB THR 65 OK 85 100 100 86 4.7-5.1 9384/6853=69...(7) 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 2 assignments used, quality = 0.99: QB ALA 52 + HB THR 65 OK 95 100 100 95 4.2-4.7 10949/1970=54...(5) HB2 LEU 49 + HB THR 65 OK 89 89 100 100 4.8-5.4 3.2/9421=99, ~10960=87...(31) Violated in 0 structures by 0.00 A. Peak 9426 from aliabs.peaks (2.20, 4.06, 67.71 ppm; 6.60 A): 2 out of 4 assignments used, quality = 0.99: HG2 GLN 68 + HB THR 65 OK 92 92 100 100 5.1-6.9 ~11016=92, ~10990=90...(24) HB2 GLN 68 + HB THR 65 OK 83 87 95 100 5.9-7.9 10050/2.1=88, ~2140=80...(18) HB3 GLN 68 - HB THR 65 far 4 83 5 - 6.9-7.6 HB3 GLN 104 - HB THR 65 far 0 76 0 - 9.4-10.0 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 = 0.89: HB3 ASP 64 + HA THR 65 OK 68 71 100 96 4.7-5.6 6840/2.9=69, ~2052=51...(7) HB2 ASP 64 + HA THR 65 OK 66 68 100 98 4.1-5.6 ~6840=80, ~2058=79...(6) HB3 ASP 71 - HA THR 65 far 0 57 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 9430 from aliabs.peaks (0.91, 1.23, 22.77 ppm; 2.80 A): 3 out of 9 assignments used, quality = 1.00: QD1 LEU 49 + QG2 THR 65 OK 97 99 100 98 1.7-1.8 2.1/9431=44, 10966=37...(28) QD1 LEU 48 + QG2 THR 65 OK 91 100 100 92 1.9-2.6 10957=33, 2.1/9441=31...(18) QD2 LEU 48 + QG2 THR 65 OK 44 97 50 91 3.0-4.0 10957=41, 2.1/9441=31...(19) QD1 LEU 62 - QG2 THR 65 far 0 99 0 - 6.0-6.4 QD1 LEU 123 - QG2 THR 65 far 0 83 0 - 6.5-7.1 QG2 VAL 63 - QG2 THR 65 far 0 100 0 - 6.9-7.0 QD2 LEU 123 - QG2 THR 65 far 0 76 0 - 7.4-8.0 QG1 VAL 118 - QG2 THR 65 far 0 96 0 - 8.1-8.9 QG2 ILE 37 - QG2 THR 65 far 0 60 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 9431 from aliabs.peaks (0.78, 1.23, 22.77 ppm; 3.49 A): 1 out of 9 assignments used, quality = 0.88: QD2 LEU 49 + QG2 THR 65 OK 88 89 100 100 2.9-3.3 2.1/11025=57...(26) QD1 LEU 53 - QG2 THR 65 far 0 95 0 - 4.4-5.2 QD1 LEU 122 - QG2 THR 65 far 0 68 0 - 4.9-7.1 QD1 LEU 96 - QG2 THR 65 far 0 99 0 - 5.1-5.4 QD2 LEU 122 - QG2 THR 65 far 0 99 0 - 6.0-7.2 QG1 VAL 63 - QG2 THR 65 far 0 100 0 - 6.6-6.7 QD2 LEU 119 - QG2 THR 65 far 0 98 0 - 7.7-8.2 QD1 LEU 103 - QG2 THR 65 far 0 100 0 - 8.1-8.7 QD1 ILE 37 - QG2 THR 65 far 0 96 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 9432 from aliabs.peaks (0.69, 1.23, 22.77 ppm; 4.55 A increased from 4.28 A): 1 out of 3 assignments used, quality = 0.92: QD2 LEU 62 + QG2 THR 65 OK 92 97 100 95 4.0-4.4 1998/10993=55...(10) QD2 LEU 100 - QG2 THR 65 far 10 98 10 - 5.1-5.6 QD1 LEU 43 - QG2 THR 65 far 0 97 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 9440 from aliabs.peaks (1.48, 1.23, 22.77 ppm; 3.98 A increased from 3.54 A): 2 out of 3 assignments used, quality = 0.98: QB ALA 52 + QG2 THR 65 OK 91 100 100 91 3.7-4.1 9232/9432=49...(12) HB2 LEU 49 + QG2 THR 65 OK 81 81 100 100 3.2-3.9 3.2/9431=66...(23) HG LEU 42 - QG2 THR 65 far 0 97 0 - 7.7-8.0 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 = 0.88: HG LEU 48 + QG2 THR 65 OK 88 89 100 100 3.7-4.2 3.0/10991=61, 11370=58...(17) HB3 LEU 70 - QG2 THR 65 far 0 87 0 - 7.8-8.0 HB2 LEU 70 - QG2 THR 65 far 0 98 0 - 9.2-9.4 HB2 LEU 43 - QG2 THR 65 far 0 99 0 - 9.3-9.9 Violated in 4 structures by 0.01 A. Peak 9442 from aliabs.peaks (1.92, 1.23, 22.77 ppm; 3.85 A): 2 out of 3 assignments used, quality = 1.00: HB3 LEU 49 + QG2 THR 65 OK 100 100 100 100 3.8-4.0 3.2/9431=63...(22) HB3 LEU 48 + QG2 THR 65 OK 76 76 100 100 2.0-2.5 1.8/10991=69...(23) HG LEU 53 - QG2 THR 65 far 0 85 0 - 4.8-8.0 Violated in 0 structures by 0.00 A. Peak 9443 from aliabs.peaks (2.20, 1.23, 22.77 ppm; 3.87 A): 2 out of 5 assignments used, quality = 0.95: HG2 GLN 68 + QG2 THR 65 OK 84 85 100 99 3.1-4.3 1.8/11016=57, 9479=36...(26) HB2 GLN 68 + QG2 THR 65 OK 66 78 85 99 4.1-5.5 3.0/11016=47...(19) HB3 GLN 68 - QG2 THR 65 far 0 90 0 - 5.0-5.4 HB3 GLN 127 - QG2 THR 65 far 0 68 0 - 7.9-9.3 HB3 GLN 104 - QG2 THR 65 far 0 65 0 - 9.7-10.2 Violated in 1 structures by 0.00 A. Peak 9445 from aliabs.peaks (8.29, 1.23, 22.77 ppm; 3.97 A): 2 out of 6 assignments used, quality = 1.00: H LEU 49 + QG2 THR 65 OK 99 99 100 100 2.1-2.3 11703=81, 6598/10991=42...(24) H LEU 69 + QG2 THR 65 OK 95 99 100 96 4.1-4.3 6922/11016=34...(15) H LEU 123 - QG2 THR 65 far 0 71 0 - 7.4-8.3 H VAL 126 - QG2 THR 65 far 0 95 0 - 7.4-7.9 H TYR 72 - QG2 THR 65 far 0 60 0 - 7.9-8.3 H LEU 43 - QG2 THR 65 far 0 100 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 9446 from aliabs.peaks (8.06, 1.23, 22.77 ppm; 5.04 A): 1 out of 3 assignments used, quality = 0.95: H LEU 48 + QG2 THR 65 OK 95 95 100 100 3.9-4.2 9199=91, 3.9/10991=71...(15) H SER 130 - QG2 THR 65 far 0 68 0 - 8.9-9.3 H CYS 125 - QG2 THR 65 far 0 83 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 9448 from aliabs.peaks (0.80, 3.63, 47.54 ppm; 3.70 A): 6 out of 20 assignments used, quality = 1.00: QD2 LEU 49 + HA3 GLY 66 OK 98 100 100 98 2.2-2.6 9208=46, 9208/1.8=35...(23) QD2 LEU 49 + HA2 GLY 66 OK 96 98 100 98 1.7-1.8 9208=46, 9208/1.8=35...(24) QD1 LEU 122 + HA3 GLY 66 OK 47 100 90 52 1.9-4.6 9487/10035=21...(12) QD1 LEU 122 + HA2 GLY 66 OK 41 98 90 46 2.6-5.1 9487/10035=21...(8) QD1 LEU 96 + HA2 GLY 66 OK 37 57 100 65 2.6-3.0 2.1/9991=20, ~9991=15...(13) QD1 LEU 96 + HA3 GLY 66 OK 36 60 100 60 2.9-3.3 ~9991=19, 2.1/9991=16...(13) QD2 LEU 122 - HA3 GLY 66 poor 6 90 30 21 3.6-4.7 ~9434=7, 11388/10035=6...(6) QD2 LEU 122 - HA2 GLY 66 far 0 87 0 - 4.4-5.6 QG1 VAL 63 - HA3 GLY 66 far 0 83 0 - 4.5-4.7 QD1 LEU 53 - HA2 GLY 66 far 0 96 0 - 5.1-6.7 QD1 LEU 53 - HA3 GLY 66 far 0 98 0 - 5.4-6.8 QG1 VAL 63 - HA2 GLY 66 far 0 80 0 - 5.9-6.1 QD1 LEU 70 - HA3 GLY 66 far 0 97 0 - 6.7-7.1 QD1 LEU 70 - HA2 GLY 66 far 0 95 0 - 6.8-7.2 QD1 LEU 103 - HA3 GLY 66 far 0 81 0 - 7.0-7.5 QG2 ILE 129 - HA2 GLY 66 far 0 75 0 - 7.7-8.4 QD2 LEU 119 - HA3 GLY 66 far 0 95 0 - 7.7-8.7 QD1 LEU 103 - HA2 GLY 66 far 0 78 0 - 8.2-8.7 QD2 LEU 119 - HA2 GLY 66 far 0 92 0 - 8.6-9.5 QG2 ILE 129 - HA3 GLY 66 far 0 78 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 9449 from aliabs.peaks (0.67, 3.63, 47.54 ppm; 4.01 A): 2 out of 6 assignments used, quality = 1.00: QD2 LEU 100 + HA3 GLY 66 OK 98 98 100 100 1.8-2.1 9384/2.9=60, 10024=49...(25) QD2 LEU 100 + HA2 GLY 66 OK 96 96 100 100 3.3-3.6 9384/2.9=60, 10024=48...(20) QD2 LEU 62 - HA3 GLY 66 far 0 99 0 - 5.8-6.1 QD2 LEU 62 - HA2 GLY 66 far 0 97 0 - 6.0-6.3 QD1 ILE 129 - HA2 GLY 66 far 0 82 0 - 6.4-7.2 QD1 ILE 129 - HA3 GLY 66 far 0 85 0 - 7.3-8.1 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: HE21 GLN 68 - HD2 HIS 67 far 0 100 0 - 9.1-10.0 QE TYR 72 - HD2 HIS 67 far 0 95 0 - 9.6-10.7 HE21 GLN 101 - HD2 HIS 67 far 0 76 0 - 9.6-11.3 Violated in 20 structures by 1.56 A. Peak 9453 from aliabs.peaks (2.21, 3.34, 27.59 ppm; 6.38 A): 3 out of 7 assignments used, quality = 1.00: HG2 GLN 68 + HB2 HIS 67 OK 97 98 100 99 5.0-6.9 2150/6882=91...(10) HB2 GLN 68 + HB2 HIS 67 OK 95 96 100 100 4.4-6.2 3.7/6882=95, 9452/3.8=38...(9) HB3 GLN 68 + HB2 HIS 67 OK 67 68 100 99 4.8-6.0 3.7/6882=95, 3.0/9480=28...(7) HB3 GLN 104 - HB2 HIS 67 poor 18 89 20 - 6.7-8.7 HB3 GLU 97 - HB2 HIS 67 far 0 95 0 - 7.9-9.5 HB2 GLN 104 - HB2 HIS 67 far 0 87 0 - 8.0-9.8 HB2 GLN 101 - HB2 HIS 67 far 0 100 0 - 9.4-11.1 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 3 assignments used, quality = 1.00: HB2 ASP 64 + HB3 HIS 67 OK 100 100 100 100 5.5-7.0 3.0/2046=99, ~2102=86...(6) HB3 ASN 13 - HB3 HIS 67 far 0 89 0 - 7.6-34.7 HB2 CYS 73 - HB3 HIS 67 far 0 95 0 - 9.1-10.3 Violated in 4 structures by 0.03 A. Peak 9457 from aliabs.peaks (2.21, 3.41, 27.59 ppm; 6.80 A): 4 out of 7 assignments used, quality = 1.00: HG2 GLN 68 + HB3 HIS 67 OK 98 98 100 100 5.2-7.0 2150/6883=93...(10) HB2 GLN 68 + HB3 HIS 67 OK 95 96 100 100 4.4-5.6 3.7/6883=97, 9452/3.8=41...(8) HB3 GLN 68 + HB3 HIS 67 OK 68 68 100 100 4.4-6.0 3.7/6883=97, ~9480=40...(6) HB3 GLN 104 + HB3 HIS 67 OK 26 89 45 66 6.9-8.4 11436/9468=65 HB2 GLN 104 - HB3 HIS 67 far 0 87 0 - 8.2-9.4 HB3 GLU 97 - HB3 HIS 67 far 0 95 0 - 8.3-9.7 HB2 GLN 101 - HB3 HIS 67 far 0 100 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 9462 from aliabs.peaks (0.82, 4.21, 58.74 ppm; 3.71 A): 0 out of 10 assignments used, quality = 0.00: QD1 LEU 70 - HA HIS 67 far 0 97 0 - 4.6-5.0 QD1 LEU 122 - HA HIS 67 far 0 90 0 - 5.1-7.1 QD2 LEU 49 - HA HIS 67 far 0 71 0 - 5.7-5.8 QG2 ILE 129 - HA GLU 128 far 0 46 0 - 6.1-6.1 QG1 VAL 133 - HA GLU 128 far 0 36 0 - 7.9-9.3 QD1 LEU 53 - HA GLU 128 far 0 22 0 - 8.6-11.0 QD1 LEU 53 - HA HIS 67 far 0 60 0 - 9.0-10.4 QG2 ILE 129 - HA HIS 67 far 0 100 0 - 9.1-10.1 QD2 LEU 49 - HA GLU 128 far 0 26 0 - 9.3-9.8 QD1 LEU 122 - HA GLU 128 far 0 37 0 - 9.4-11.5 Violated in 20 structures by 0.59 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 2.1-2.6 10037=100...(19) Violated in 0 structures by 0.00 A. Peak 9464 from aliabs.peaks (1.68, 3.34, 27.59 ppm; 6.05 A): 0 out of 1 assignment used, quality = 0.00: HB2 LEU 69 - HB2 HIS 67 far 0 68 0 - 7.6-7.9 Violated in 20 structures by 1.66 A. Peak 9465 from aliabs.peaks (0.79, 3.34, 27.59 ppm; 5.23 A increased from 4.92 A): 1 out of 9 assignments used, quality = 0.98: QG1 VAL 63 + HB2 HIS 67 OK 98 99 100 100 3.5-5.2 9468/1.8=83, 9470/4.0=75...(11) QD2 LEU 49 - HB2 HIS 67 far 0 99 0 - 6.1-7.2 QD1 LEU 122 - HB2 HIS 67 far 0 90 0 - 6.2-8.9 QD1 LEU 96 - HB2 HIS 67 far 0 89 0 - 6.3-6.9 QD1 LEU 70 - HB2 HIS 67 far 0 78 0 - 6.5-7.4 QD2 LEU 122 - HB2 HIS 67 far 0 100 0 - 7.5-9.0 QD1 ILE 37 - HB2 HIS 67 far 0 78 0 - 9.0-11.3 QD1 LEU 103 - HB2 HIS 67 far 0 98 0 - 9.1-10.9 QD1 LEU 53 - HB2 HIS 67 far 0 100 0 - 9.5-11.5 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 1 assignment used, quality = 0.00: QD1 LEU 42 - HB2 HIS 67 far 0 100 0 - 9.3-10.5 Violated in 20 structures by 3.24 A. Peak 9467 from aliabs.peaks (1.69, 3.41, 27.59 ppm; 6.09 A): 2 out of 2 assignments used, quality = 0.89: HB3 LEU 70 + HB3 HIS 67 OK 83 83 100 100 4.5-5.5 9458/3.8=74, ~11089=64...(23) HB2 LEU 70 + HB3 HIS 67 OK 39 97 40 100 5.8-7.1 ~11089=64, ~6936=59...(21) Violated in 0 structures by 0.00 A. Peak 9468 from aliabs.peaks (0.79, 3.41, 27.59 ppm; 5.14 A increased from 4.84 A): 1 out of 9 assignments used, quality = 0.98: QG1 VAL 63 + HB3 HIS 67 OK 98 99 100 99 3.7-4.9 9465/1.8=79, 9470/4.0=74...(7) QD1 LEU 122 - HB3 HIS 67 far 0 90 0 - 6.0-8.3 QD2 LEU 49 - HB3 HIS 67 far 0 99 0 - 6.2-7.2 QD1 LEU 70 - HB3 HIS 67 far 0 78 0 - 6.3-7.4 QD1 LEU 96 - HB3 HIS 67 far 0 89 0 - 6.3-7.0 QD2 LEU 122 - HB3 HIS 67 far 0 100 0 - 7.4-8.9 QD1 LEU 103 - HB3 HIS 67 far 0 98 0 - 9.2-10.8 QD1 LEU 53 - HB3 HIS 67 far 0 100 0 - 9.4-11.1 QD1 ILE 37 - HB3 HIS 67 far 0 78 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 9470 from aliabs.peaks (0.80, 7.16, 118.77 ppm; 5.01 A): 4 out of 8 assignments used, quality = 1.00: QD1 LEU 70 + HD2 HIS 67 OK 92 93 100 98 4.8-5.4 2.1/11081=86, 11080=46...(7) QG1 VAL 63 + HD2 HIS 67 OK 90 90 100 100 3.6-3.9 9406=83, 10974/11485=63...(9) QD1 LEU 122 + HD2 HIS 67 OK 68 99 85 81 4.9-7.0 9487/10044=56, 11080=29...(6) QD1 LEU 96 + HD2 HIS 67 OK 31 71 100 44 4.9-5.2 11388/10044=25...(6) QD2 LEU 122 - HD2 HIS 67 far 5 96 5 - 5.5-6.6 QD2 LEU 49 - HD2 HIS 67 far 0 100 0 - 6.1-6.5 QD1 LEU 103 - HD2 HIS 67 far 0 89 0 - 8.4-8.7 QD1 LEU 53 - HD2 HIS 67 far 0 100 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 9478 from aliabs.peaks (0.79, 2.21, 33.81 ppm; 5.55 A): 2 out of 8 assignments used, quality = 0.97: QD2 LEU 49 + HG2 GLN 68 OK 95 99 100 96 4.8-6.0 9431/9479=72...(11) QD1 LEU 96 + HG2 GLN 68 OK 40 90 95 47 5.5-6.9 11056/2158=33...(6) QD1 LEU 122 - HG2 GLN 68 far 0 89 0 - 6.5-8.7 QD1 ILE 37 - HG2 GLN 68 far 0 81 0 - 6.8-9.0 QG1 VAL 63 - HG2 GLN 68 far 0 99 0 - 7.2-9.2 QD1 LEU 53 - HG2 GLN 68 far 0 100 0 - 7.9-9.6 QD1 LEU 70 - HG2 GLN 68 far 0 76 0 - 7.9-8.6 QD2 LEU 122 - HG2 GLN 68 far 0 100 0 - 8.2-10.1 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 = 0.98: QG2 THR 65 + HG2 GLN 68 OK 98 98 100 100 3.1-4.3 11016/1.8=87, ~11023=47...(26) Violated in 0 structures by 0.00 A. Peak 9480 from aliabs.peaks (3.37, 2.21, 33.81 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.86: HB2 HIS 67 + HG2 GLN 68 OK 76 76 100 100 5.0-6.9 4.4/2150=94, 3.8/9452=43...(13) HB3 TYR 72 + HG2 GLN 68 OK 42 71 60 100 6.0-7.6 2.7/9481=99...(9) HA VAL 63 - HG2 GLN 68 far 0 100 0 - 7.6-9.9 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 = 1.00: QD TYR 72 + HG2 GLN 68 OK 100 100 100 100 3.5-4.6 2.2/11830=85...(22) HD2 HIS 67 - HG2 GLN 68 far 0 78 0 - 7.2-9.1 Violated in 0 structures by 0.00 A. Peak 9482 from aliabs.peaks (7.15, 2.32, 33.81 ppm; 4.86 A): 1 out of 2 assignments used, quality = 0.97: QD TYR 72 + HG3 GLN 68 OK 97 97 100 100 2.1-4.8 9481/1.8=80, ~11830=65...(18) HD2 HIS 67 - HG3 GLN 68 far 0 92 0 - 7.6-9.0 Violated in 0 structures by 0.00 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 4.2-4.4 9485/2269=72...(16) QD1 ILE 80 - HA LEU 70 far 0 68 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 9485 from aliabs.peaks (0.28, 0.86, 25.01 ppm; 3.96 A): 1 out of 2 assignments used, quality = 0.98: QG2 VAL 93 + QD2 LEU 70 OK 98 98 100 100 3.6-4.1 11822=52, 3.2/9495=51...(25) QD1 ILE 80 - QD2 LEU 70 far 0 93 0 - 8.3-8.9 Violated in 2 structures by 0.01 A. Peak 9486 from aliabs.peaks (2.41, 0.86, 25.01 ppm; 3.86 A increased from 3.43 A): 1 out of 4 assignments used, quality = 0.99: HG3 GLU 97 + QD2 LEU 70 OK 99 99 100 100 3.4-3.8 9489/2.1=74...(25) HG2 GLN 101 - QD2 LEU 70 far 0 83 0 - 5.7-9.5 HG2 GLN 104 - QD2 LEU 70 far 0 65 0 - 7.9-9.2 HG3 GLU 128 - QD2 LEU 70 far 0 92 0 - 8.1-10.2 Violated in 0 structures by 0.00 A. Peak 9487 from aliabs.peaks (0.61, 0.81, 25.48 ppm; 3.31 A): 2 out of 4 assignments used, quality = 0.89: QD1 LEU 100 + QD1 LEU 122 OK 84 88 100 96 1.9-3.6 2.1/3895=25...(39) QD1 LEU 100 + QD1 LEU 70 OK 32 96 35 96 3.3-4.2 11107/2.1=62...(20) QD1 LEU 42 - QD1 LEU 70 far 0 76 0 - 6.3-7.0 QD1 LEU 42 - QD1 LEU 122 far 0 67 0 - 8.0-9.8 Violated in 1 structures by 0.01 A. Peak 9488 from aliabs.peaks (1.39, 0.81, 25.48 ppm; 3.99 A increased from 3.76 A): 4 out of 18 assignments used, quality = 1.00: HG LEU 96 + QD1 LEU 70 OK 98 99 100 100 3.7-4.0 11106/2.1=86...(23) HB3 LEU 100 + QD1 LEU 122 OK 77 82 95 99 3.9-5.9 3.2/9487=49, 3.0/3895=27...(37) HB2 LEU 96 + QD1 LEU 122 OK 66 91 75 96 2.1-5.0 3072/2.1=19, 3.0/3893=19...(45) HG LEU 96 + QD1 LEU 122 OK 58 92 70 90 2.8-5.5 11918/9487=30...(28) QB ALA 15 - QD1 LEU 70 far 5 99 5 - 2.0-26.0 QB ALA 16 - QD1 LEU 70 far 0 100 0 - 4.6-28.7 HB3 LEU 100 - QD1 LEU 70 far 0 90 0 - 5.4-6.4 HB2 LEU 96 - QD1 LEU 70 far 0 98 0 - 6.0-6.3 HG2 LYS 95 - QD1 LEU 122 far 0 95 0 - 6.6-9.8 HG3 LYS 95 - QD1 LEU 122 far 0 94 0 - 6.7-10.1 HG3 LYS 95 - QD1 LEU 70 far 0 100 0 - 7.4-9.3 HG2 LYS 95 - QD1 LEU 70 far 0 100 0 - 7.6-9.7 HG2 LYS 24 - QD1 LEU 70 far 0 95 0 - 7.8-23.1 QB ALA 109 - QD1 LEU 122 far 0 95 0 - 8.2-10.7 QB ALA 15 - QD1 LEU 122 far 0 92 0 - 8.3-31.7 QB ALA 34 - QD1 LEU 70 far 0 71 0 - 8.6-10.5 HG2 LYS 19 - QD1 LEU 70 far 0 85 0 - 9.2-30.1 QB ALA 108 - QD1 LEU 122 far 0 90 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 9489 from aliabs.peaks (2.42, 0.81, 25.48 ppm; 4.13 A): 1 out of 9 assignments used, quality = 0.73: HG3 GLU 97 + QD1 LEU 70 OK 73 73 100 100 3.2-3.7 2.9/11111=67...(24) HG3 GLU 97 - QD1 LEU 122 far 0 65 0 - 5.4-8.2 HG2 GLN 101 - QD1 LEU 70 far 0 100 0 - 5.5-9.1 HG2 GLN 101 - QD1 LEU 122 far 0 95 0 - 6.0-10.3 HG2 MET 11 - QD1 LEU 70 far 0 83 0 - 6.3-29.2 HG3 GLN 61 - QD1 LEU 122 far 0 78 0 - 7.0-11.0 HG3 GLU 128 - QD1 LEU 122 far 0 94 0 - 8.6-11.5 HG2 GLU 55 - QD1 LEU 122 far 0 65 0 - 9.0-12.7 HG3 GLU 128 - QD1 LEU 70 far 0 100 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 9490 from aliabs.peaks (2.73, 0.81, 25.48 ppm; 4.88 A): 2 out of 7 assignments used, quality = 0.99: HB2 CYS 73 + QD1 LEU 70 OK 99 99 100 100 3.2-4.1 1.8/9497=73...(14) HB2 CYS 125 + QD1 LEU 122 OK 47 95 50 99 3.3-6.4 1.8/9498=59...(17) HB2 CYS 73 - QD1 LEU 122 far 0 92 0 - 7.2-9.5 HB2 CYS 125 - QD1 LEU 70 far 0 100 0 - 7.3-8.7 HB2 ASP 64 - QD1 LEU 122 far 0 74 0 - 7.4-10.4 HB3 ASP 78 - QD1 LEU 70 far 0 99 0 - 9.7-10.7 HB2 ASP 47 - QD1 LEU 122 far 0 83 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 9495 from aliabs.peaks (3.28, 0.86, 25.01 ppm; 4.56 A increased from 4.29 A): 1 out of 1 assignment used, quality = 0.73: HA VAL 93 + QD2 LEU 70 OK 73 73 100 99 3.9-4.3 3.2/9485=71...(17) Violated in 0 structures by 0.00 A. Peak 9496 from aliabs.peaks (2.24, 0.86, 25.01 ppm; 3.22 A): 3 out of 8 assignments used, quality = 1.00: HG2 GLU 97 + QD2 LEU 70 OK 99 99 100 100 2.0-3.0 1.8/9486=52...(30) HB3 GLU 97 + QD2 LEU 70 OK 89 89 100 100 2.3-3.5 1.8/11109=53...(33) HB3 LEU 96 + QD2 LEU 70 OK 57 99 60 96 3.6-4.1 3.0/11106=49...(20) HG2 GLN 68 - QD2 LEU 70 far 0 81 0 - 5.9-7.0 HB2 GLN 68 - QD2 LEU 70 far 0 87 0 - 6.8-7.3 HB3 GLU 102 - QD2 LEU 70 far 0 99 0 - 8.6-11.1 HB3 GLN 104 - QD2 LEU 70 far 0 95 0 - 8.9-9.7 HB3 GLN 127 - QD2 LEU 70 far 0 93 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 9497 from aliabs.peaks (3.33, 0.81, 25.48 ppm; 5.16 A increased from 4.58 A): 1 out of 7 assignments used, quality = 0.89: HB3 CYS 73 + QD1 LEU 70 OK 89 89 100 100 4.0-5.0 1.8/9490=93...(14) HB2 HIS 67 - QD1 LEU 122 far 0 82 0 - 6.2-8.9 HB2 HIS 67 - QD1 LEU 70 far 0 90 0 - 6.5-7.4 HB3 TYR 72 - QD1 LEU 70 far 0 93 0 - 7.3-8.7 HB3 CYS 73 - QD1 LEU 122 far 0 80 0 - 7.5-10.3 HB3 PHE 89 - QD1 LEU 70 far 0 96 0 - 8.9-10.1 HB3 TYR 72 - QD1 LEU 122 far 0 85 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 9498 from aliabs.peaks (3.22, 0.81, 25.48 ppm; 5.76 A increased from 5.12 A): 1 out of 3 assignments used, quality = 0.74: HB3 CYS 125 + QD1 LEU 122 OK 74 74 100 100 3.7-6.0 ~11828=75, ~11653=49...(17) HB3 CYS 125 - QD1 LEU 70 far 0 83 0 - 7.1-8.4 HB2 HIS 5 - QD1 LEU 122 far 0 88 0 - 8.9-47.3 Violated in 2 structures by 0.01 A. Peak 9504 from aliabs.peaks (8.30, 7.14, 131.84 ppm; 5.15 A): 2 out of 5 assignments used, quality = 1.00: H LEU 69 + QD TYR 72 OK 100 100 100 100 4.0-5.3 2.9/11028=79...(31) H TYR 72 + QD TYR 72 OK 71 71 100 100 2.8-3.4 4.5=100 H LEU 43 - QD TYR 72 far 5 98 5 - 5.5-6.7 H GLU 40 - QD TYR 72 far 0 98 0 - 8.2-8.8 H LEU 49 - QD TYR 72 far 0 100 0 - 8.2-9.1 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 6 assignments used, quality = 0.65: HB2 LEU 70 + HA ASP 71 OK 65 65 100 100 3.8-3.9 3.2/11115=40...(21) HB2 LEU 69 - HA ASP 71 far 0 60 0 - 7.6-7.8 HD3 LYS 36 - HA ASP 71 far 0 87 0 - 8.1-9.7 HD2 LYS 36 - HA ASP 71 far 0 89 0 - 8.7-10.3 HD3 LYS 24 - HA ASP 71 far 0 68 0 - 9.3-24.3 HD2 LYS 24 - HA ASP 71 far 0 87 0 - 9.8-25.7 Violated in 0 structures by 0.00 A. Peak 9511 from aliabs.peaks (0.81, 2.81, 39.26 ppm; 6.80 A): 1 out of 6 assignments used, quality = 1.00: QD1 LEU 70 + HB3 ASP 71 OK 100 100 100 100 6.0-6.5 2267/6968=95...(10) QG2 ILE 129 - HB3 ASP 71 far 0 93 0 - 8.7-9.7 QD2 LEU 49 - HB3 ASP 71 far 0 95 0 - 8.7-9.4 QG1 VAL 63 - HB3 ASP 71 far 0 63 0 - 8.9-10.2 QD1 LEU 122 - HB3 ASP 71 far 0 100 0 - 9.2-11.2 QG2 ILE 32 - HB3 ASP 71 far 0 60 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 9513 from aliabs.peaks (1.49, 3.34, 37.59 ppm; 6.13 A): 1 out of 3 assignments used, quality = 0.99: HG LEU 42 + HB3 TYR 72 OK 99 99 100 100 3.1-3.7 2.1/9095=100...(25) HG LEU 69 - HB3 TYR 72 far 4 81 5 - 6.1-7.7 HB2 LEU 49 - HB3 TYR 72 far 0 100 0 - 10.0-12.2 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 3.1-4.5 11064/2.7=90...(22) Violated in 0 structures by 0.00 A. Peak 9515 from aliabs.peaks (0.63, 3.34, 37.59 ppm; 5.70 A): 1 out of 3 assignments used, quality = 0.99: QD1 LEU 42 + HB3 TYR 72 OK 99 99 100 100 1.8-1.9 10874/1.8=98...(29) QD1 ILE 129 - HB3 TYR 72 far 0 73 0 - 7.1-8.3 QD1 LEU 100 - HB3 TYR 72 far 0 63 0 - 8.3-9.9 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 = 0.94: HG LEU 42 + HB2 TYR 72 OK 90 90 100 100 3.1-3.9 2.1/10874=92...(25) HG LEU 69 + HB2 TYR 72 OK 38 95 40 100 5.7-7.8 ~11064=64, ~11080=64...(18) HB2 LEU 49 - HB2 TYR 72 far 0 99 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 9517 from aliabs.peaks (0.93, 3.02, 37.59 ppm; 5.84 A): 1 out of 4 assignments used, quality = 1.00: QG2 ILE 37 + HB2 TYR 72 OK 100 100 100 100 2.0-4.1 10825/1.8=99...(30) QD1 LEU 49 - HB2 TYR 72 far 9 89 10 - 6.3-8.1 QG1 VAL 126 - HB2 TYR 72 far 0 65 0 - 6.7-8.4 QD1 LEU 48 - HB2 TYR 72 far 0 83 0 - 7.6-9.4 Violated in 0 structures by 0.00 A. Peak 9518 from aliabs.peaks (0.79, 3.02, 37.59 ppm; 5.58 A): 1 out of 7 assignments used, quality = 0.78: QD1 ILE 37 + HB2 TYR 72 OK 78 78 100 100 3.8-5.1 3.0/9010=72, ~10825=70...(23) QD1 LEU 96 - HB2 TYR 72 far 0 89 0 - 6.8-9.2 QD1 LEU 70 - HB2 TYR 72 far 0 78 0 - 7.0-8.4 QD2 LEU 49 - HB2 TYR 72 far 0 99 0 - 7.7-10.0 HG13 ILE 80 - HB2 TYR 72 far 0 78 0 - 8.8-10.0 QD1 LEU 122 - HB2 TYR 72 far 0 90 0 - 9.0-11.5 QD2 LEU 122 - HB2 TYR 72 far 0 100 0 - 9.9-12.3 Violated in 0 structures by 0.00 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 2.2-2.8 9091/1.8=100, 10874=99...(25) QD1 ILE 129 - HB2 TYR 72 far 0 90 0 - 6.6-8.2 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 3.5-5.3 9550/2.2=93, 3.0/9482=78...(23) HG2 GLN 68 + QD TYR 72 OK 60 60 100 100 3.5-4.6 1.8/9482=92, ~9549=61...(21) HB3 LEU 69 + QD TYR 72 OK 57 60 95 100 4.8-6.2 3.2/11064=84...(40) HB VAL 133 - QD TYR 72 far 0 100 0 - 9.1-9.9 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 3 assignments used, quality = 0.92: QB ALA 41 + QD TYR 72 OK 92 92 100 100 3.7-4.2 9062=86, 9551/2.2=85...(14) QG2 THR 25 - QD TYR 72 far 0 93 0 - 8.7-16.4 QG2 VAL 77 - QD TYR 72 far 0 100 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 9527 from aliabs.peaks (0.97, 7.14, 131.84 ppm; 4.61 A): 0 out of 2 assignments used, quality = 0.00: QG1 VAL 126 - QD TYR 72 far 0 85 0 - 6.4-7.2 QG2 VAL 126 - QD TYR 72 far 0 95 0 - 6.8-7.8 Violated in 20 structures by 1.52 A. Peak 9528 from aliabs.peaks (0.76, 7.14, 131.84 ppm; 4.88 A): 1 out of 7 assignments used, quality = 0.98: QD1 ILE 37 + QD TYR 72 OK 98 98 100 100 1.8-2.2 10839=94, 1115/9022=87...(37) QD2 LEU 96 - QD TYR 72 far 0 97 0 - 6.0-6.9 QD1 LEU 96 - QD TYR 72 far 0 93 0 - 6.6-8.0 QD2 LEU 43 - QD TYR 72 far 0 92 0 - 7.1-8.2 QG1 VAL 93 - QD TYR 72 far 0 98 0 - 7.1-7.6 HG12 ILE 129 - QD TYR 72 far 0 95 0 - 8.3-11.0 QD2 LEU 122 - QD TYR 72 far 0 65 0 - 9.6-11.3 Violated in 0 structures by 0.00 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 100 100 100 100 4.2-4.8 9570/10874=92...(8) HA LEU 69 + HB2 TYR 72 OK 73 73 100 100 2.6-4.9 9530/1.8=85, 6973/3.8=73...(18) HA SER 33 - HB2 TYR 72 far 0 83 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 9530 from aliabs.peaks (4.35, 3.34, 37.59 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: HA LEU 69 + HB3 TYR 72 OK 100 100 100 100 3.2-4.8 2178=100, 11028/2.7=100...(21) HA CYS 73 + HB3 TYR 72 OK 62 63 100 99 4.1-4.8 9529/1.8=79, ~6996=68...(9) HA2 GLY 75 - HB3 TYR 72 poor 12 73 50 32 7.0-7.7 9531/2.7=23, 11140/3.0=9 Violated in 0 structures by 0.00 A. Peak 9531 from aliabs.peaks (4.34, 7.14, 131.84 ppm; 4.73 A): 1 out of 2 assignments used, quality = 0.97: HA LEU 69 + QD TYR 72 OK 97 97 100 100 2.1-3.6 11028=89, 6973/6983=66...(24) HA2 GLY 75 - QD TYR 72 far 0 96 0 - 6.6-7.2 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 = 0.97: HZ PHE 89 + HA CYS 73 OK 97 98 100 99 1.7-2.9 2.2/11145=63...(14) HE ARG 90 - HA CYS 73 far 0 73 0 - 5.9-9.0 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 2 assignments used, quality = 0.99: HA LEU 69 + QE TYR 72 OK 99 99 100 100 3.9-5.2 11028/2.2=97...(16) HA2 GLY 75 - QE TYR 72 far 0 92 0 - 8.3-9.0 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 4.3-4.7 5.2=100 HA SER 38 - QE TYR 72 far 0 90 0 - 8.0-8.4 HA ASP 35 - QE TYR 72 far 0 81 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 9547 from aliabs.peaks (3.10, 6.80, 117.87 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.93: HB3 CYS 45 + QE TYR 72 OK 93 93 100 100 2.9-4.0 9146=88, 1.8/9144=74...(15) Violated in 0 structures by 0.00 A. Peak 9548 from aliabs.peaks (2.94, 6.80, 117.87 ppm; 5.32 A): 3 out of 6 assignments used, quality = 1.00: HB2 CYS 45 + QE TYR 72 OK 100 100 100 100 3.2-4.1 1.8/9547=97, 9144=90...(17) HE2 LYS 36 + QE TYR 72 OK 33 76 85 50 3.9-6.2 4.0/11126=33, ~11125=16 HE3 LYS 36 + QE TYR 72 OK 28 76 75 50 4.5-6.4 4.0/11126=33, ~11125=16 HE2 LYS 31 - QE TYR 72 far 0 78 0 - 8.7-15.4 HE3 LYS 31 - QE TYR 72 far 0 90 0 - 8.9-15.0 HE2 LYS 26 - QE TYR 72 far 0 78 0 - 9.4-14.8 Violated in 0 structures by 0.00 A. Peak 9549 from aliabs.peaks (2.31, 6.80, 117.87 ppm; 6.21 A): 1 out of 3 assignments used, quality = 0.99: HG3 GLN 68 + QE TYR 72 OK 99 99 100 100 2.0-5.0 1.8/11830=100...(13) HG2 GLU 44 - QE TYR 72 far 15 100 15 - 5.5-7.9 HG2 GLU 40 - QE TYR 72 far 0 81 0 - 8.7-11.1 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 3 assignments used, quality = 1.00: HG2 GLN 68 + QE TYR 72 OK 97 97 100 100 3.3-4.3 11830=96, 1.8/9549=72...(14) HB2 GLN 68 + QE TYR 72 OK 94 95 100 100 1.9-5.0 3.0/11830=75...(16) HB3 GLN 68 + QE TYR 72 OK 71 71 100 100 2.3-3.6 3.0/11830=75...(20) Violated in 0 structures by 0.00 A. Peak 9551 from aliabs.peaks (1.17, 6.80, 117.87 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 41 + QE TYR 72 OK 100 100 100 100 3.7-4.0 9063=99, 9062/2.2=80...(14) QG2 THR 25 - QE TYR 72 far 0 99 0 - 9.6-16.9 Violated in 0 structures by 0.00 A. Peak 9552 from aliabs.peaks (0.95, 6.80, 117.87 ppm; 5.54 A): 1 out of 3 assignments used, quality = 0.89: QG2 ILE 37 + QE TYR 72 OK 89 89 100 100 3.2-4.1 3.0/10840=87, 9021=83...(26) QG1 VAL 126 - QE TYR 72 far 0 100 0 - 7.5-8.2 QG2 VAL 126 - QE TYR 72 far 0 97 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 9553 from aliabs.peaks (0.79, 6.80, 117.87 ppm; 5.84 A): 1 out of 7 assignments used, quality = 0.68: QD1 ILE 37 + QE TYR 72 OK 68 68 100 100 2.4-3.7 3.0/9021=95...(20) QD2 LEU 49 - QE TYR 72 far 0 100 0 - 7.8-8.4 QD1 LEU 96 - QE TYR 72 far 0 81 0 - 7.8-8.9 QG2 ILE 129 - QE TYR 72 far 0 57 0 - 8.1-9.2 QD1 LEU 70 - QE TYR 72 far 0 87 0 - 8.2-9.0 QD1 LEU 122 - QE TYR 72 far 0 96 0 - 9.3-11.3 QG1 VAL 63 - QE TYR 72 far 0 96 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 9569 from aliabs.peaks (0.75, 4.38, 64.33 ppm; 4.99 A): 2 out of 8 assignments used, quality = 1.00: QG1 VAL 93 + HA CYS 73 OK 100 100 100 100 3.9-4.6 9961/3.0=84, 11422=83...(22) QD2 LEU 96 + HA CYS 73 OK 66 100 70 94 4.9-5.8 11693/4.6=49...(11) QD1 ILE 37 - HA CYS 73 far 0 90 0 - 6.1-7.1 QD1 LEU 96 - HA CYS 73 far 0 81 0 - 6.4-8.1 QD2 LEU 43 - HA CYS 73 far 0 99 0 - 6.7-8.1 HG12 ILE 129 - HA CYS 73 far 0 99 0 - 6.8-8.2 QD1 LEU 103 - HA PRO 113 far 0 26 0 - 7.3-9.4 QD2 LEU 103 - HA PRO 113 far 0 40 0 - 8.3-10.5 Violated in 0 structures by 0.00 A. Peak 9570 from aliabs.peaks (0.64, 4.38, 64.33 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + HA CYS 73 OK 100 100 100 100 2.1-2.4 9565/2.9=46...(21) QD1 ILE 129 - HA CYS 73 far 0 93 0 - 4.6-5.8 Violated in 0 structures by 0.00 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 2.9-3.7 9959/3.0=80, 9955=77...(27) QD1 ILE 80 + HA CYS 73 OK 71 87 90 91 4.6-5.3 9748/9538=38...(12) Violated in 0 structures by 0.00 A. Peak 9572 from aliabs.peaks (0.77, 2.74, 27.42 ppm; 6.01 A): 3 out of 7 assignments used, quality = 1.00: QD1 LEU 96 + HB2 CYS 73 OK 94 99 100 95 4.9-6.0 ~11693=60, 2.1/11803=53...(8) QG1 VAL 93 + HB2 CYS 73 OK 90 90 100 100 2.3-2.8 2.1/9959=99, 9961=85...(24) QD2 LEU 96 + HB2 CYS 73 OK 88 89 100 100 3.3-3.8 11810/2232=69...(10) HG12 ILE 129 - HB2 CYS 73 far 4 83 5 - 6.2-8.3 QD1 ILE 37 - HB2 CYS 73 far 0 100 0 - 7.0-7.9 QD2 LEU 122 - HB2 CYS 73 far 0 83 0 - 8.2-10.4 QD2 LEU 43 - HB2 CYS 73 far 0 78 0 - 8.3-10.2 Violated in 0 structures by 0.00 A. Peak 9573 from aliabs.peaks (0.28, 2.74, 27.42 ppm; 4.89 A): 1 out of 2 assignments used, quality = 0.98: QG2 VAL 93 + HB2 CYS 73 OK 98 98 100 100 2.7-3.3 9959=96, 2.1/9961=93...(22) QD1 ILE 80 - HB2 CYS 73 far 0 93 0 - 6.6-7.5 Violated in 0 structures by 0.00 A. Peak 9579 from aliabs.peaks (0.77, 3.31, 27.42 ppm; 4.96 A): 2 out of 8 assignments used, quality = 0.96: QG1 VAL 93 + HB3 CYS 73 OK 83 83 100 100 1.7-2.5 ~9959=76, 9961/1.8=72...(23) QD2 LEU 96 + HB3 CYS 73 OK 78 81 100 96 3.3-4.3 11810/2233=47...(13) QD1 LEU 96 - HB3 CYS 73 far 5 100 5 - 5.3-6.8 HG12 ILE 129 - HB3 CYS 73 far 0 73 0 - 5.9-7.1 QD1 ILE 37 - HB3 CYS 73 far 0 100 0 - 7.6-8.7 QD2 LEU 43 - HB3 CYS 73 far 0 68 0 - 7.8-9.7 QD2 LEU 122 - HB3 CYS 73 far 0 90 0 - 8.3-11.1 QD2 LEU 49 - HB3 CYS 73 far 0 65 0 - 8.4-9.0 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 100 100 100 100 3.7-4.5 9570/3.0=98, 9565/3.8=84...(21) QD1 ILE 129 + HB3 CYS 73 OK 90 90 100 100 3.6-4.6 9967/9581=73...(19) Violated in 0 structures by 0.00 A. Peak 9581 from aliabs.peaks (0.28, 3.31, 27.42 ppm; 4.88 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HB3 CYS 73 OK 100 100 100 100 1.7-1.8 9959/1.8=98, 9955/3.0=77...(32) QD1 ILE 80 + HB3 CYS 73 OK 22 87 35 71 5.3-6.5 9571/3.0=29...(9) Violated in 0 structures by 0.00 A. Peak 9587 from aliabs.peaks (2.95, 4.29, 61.37 ppm; 5.12 A increased from 4.31 A): 2 out of 23 assignments used, quality = 0.93: HE3 LYS 26 + HA THR 25 OK 91 97 100 93 3.5-5.7 3.6/11150=78, 7.1/582=37...(8) HE3 LYS 86 + HA PHE 87 OK 26 44 70 84 4.1-7.3 2704/4.9=61, ~7161=16...(8) HE2 LYS 26 - HA THR 25 poor 20 98 20 - 4.4-6.6 HE3 LYS 19 - HA THR 18 poor 14 68 20 - 5.2-8.0 HE3 LYS 19 - HA SER 74 far 5 100 5 - 5.2-36.6 HE2 LYS 19 - HA THR 18 far 3 68 5 - 5.5-8.1 HE2 LYS 19 - HA SER 74 far 0 100 0 - 5.8-36.2 HE2 LYS 24 - HA THR 25 far 0 99 0 - 6.4-9.3 HE3 LYS 24 - HA THR 25 far 0 98 0 - 6.6-9.1 HE3 LYS 24 - HA THR 18 far 0 66 0 - 6.6-13.8 HE3 LYS 19 - HA PHE 87 far 0 44 0 - 7.2-42.2 HE3 LYS 86 - HA SER 74 far 0 100 0 - 7.5-9.7 HE2 LYS 24 - HA THR 18 far 0 68 0 - 7.6-15.0 HE3 LYS 86 - HA THR 18 far 0 68 0 - 7.9-33.5 HE3 LYS 26 - HA THR 18 far 0 65 0 - 8.2-19.3 HE3 LYS 31 - HA THR 18 far 0 68 0 - 8.3-28.4 HE2 LYS 19 - HA PHE 87 far 0 44 0 - 8.5-42.1 HE2 LYS 19 - HA THR 25 far 0 99 0 - 8.8-18.5 HE3 LYS 19 - HA THR 25 far 0 99 0 - 8.8-18.9 HE2 LYS 26 - HA THR 18 far 0 67 0 - 9.0-20.9 HE3 LYS 24 - HA SER 74 far 0 99 0 - 9.6-24.1 HE2 LYS 31 - HA THR 18 far 0 67 0 - 9.7-28.5 HE3 LYS 26 - HA SER 74 far 0 99 0 - 9.9-17.7 Violated in 1 structures by 0.02 A. Peak 9588 from aliabs.peaks (2.74, 4.29, 61.37 ppm; 5.23 A): 2 out of 9 assignments used, quality = 1.00: HB2 CYS 73 + HA SER 74 OK 100 100 100 100 4.3-4.6 7009/2.9=85...(8) HB3 ASP 78 + HA SER 74 OK 33 90 45 80 5.4-6.7 9693/11188=55...(3) HB3 ASP 35 - HA THR 25 far 5 94 5 - 3.7-13.1 HB2 TYR 76 - HA SER 74 far 4 73 5 - 5.8-6.9 HB3 ASN 13 - HA PHE 87 far 1 21 5 - 4.6-40.4 HB3 ASP 78 - HA THR 25 far 0 88 0 - 6.5-15.4 HB3 ASP 78 - HA THR 18 far 0 56 0 - 7.2-28.3 HB3 ASN 13 - HA THR 18 far 0 34 0 - 8.6-18.2 HB3 ASN 13 - HA SER 74 far 0 60 0 - 9.0-33.4 Violated in 0 structures by 0.00 A. Peak 9589 from aliabs.peaks (1.64, 4.29, 61.37 ppm; 5.20 A increased from 4.63 A): 3 out of 37 assignments used, quality = 0.83: HD2 LYS 19 + HA THR 18 OK 65 66 100 99 5.0-5.5 10696/3.2=84...(15) QB ALA 88 + HA PHE 87 OK 32 32 100 100 5.0-5.0 7185/3.6=80, 9836/3.7=58...(17) HD3 LYS 26 + HA THR 25 OK 29 85 35 99 5.2-6.8 2.9/11150=89, 5.7/582=61...(11) HD3 LYS 19 - HA THR 18 poor 19 67 30 95 5.6-7.0 ~10696=61, ~10692=55...(15) HB3 LEU 22 - HA THR 18 poor 17 37 45 - 3.7-8.4 HG3 ARG 23 - HA THR 25 poor 14 71 20 - 5.2-8.9 HD2 LYS 26 - HA THR 25 far 13 90 15 - 4.9-6.7 HG LEU 22 - HA THR 18 far 7 44 15 - 5.7-10.0 HD3 LYS 19 - HA SER 74 far 5 100 5 - 4.6-35.1 HD3 LYS 86 - HA PHE 87 far 4 41 10 - 5.4-6.5 HD3 LYS 86 - HA THR 18 far 3 64 5 - 5.7-33.0 HD3 LYS 24 - HA THR 25 far 0 96 0 - 5.8-7.0 HD2 LYS 86 - HA PHE 87 far 0 39 0 - 6.0-7.5 HD2 LYS 86 - HA THR 18 far 0 61 0 - 6.2-32.2 HD2 LYS 19 - HA SER 74 far 0 99 0 - 6.2-35.4 HD2 LYS 24 - HA THR 25 far 0 86 0 - 6.5-8.0 HD3 LYS 31 - HA THR 18 far 0 58 0 - 7.1-26.4 HG3 ARG 23 - HA THR 18 far 0 43 0 - 7.2-11.8 HD2 LYS 86 - HA SER 74 far 0 96 0 - 7.4-8.8 HD3 LYS 24 - HA SER 74 far 0 98 0 - 7.6-23.3 HG2 ARG 84 - HA PHE 87 far 0 42 0 - 8.1-9.6 HG LEU 22 - HA THR 25 far 0 74 0 - 8.2-12.0 HB2 LEU 69 - HA SER 74 far 0 99 0 - 8.4-9.2 HD2 LYS 24 - HA SER 74 far 0 89 0 - 8.4-24.9 HD2 LYS 24 - HA THR 18 far 0 54 0 - 8.7-12.7 HD2 LYS 31 - HA THR 18 far 0 62 0 - 8.7-26.2 HD3 LYS 31 - HA THR 25 far 0 91 0 - 8.7-17.7 HD3 LYS 86 - HA SER 74 far 0 98 0 - 8.9-10.1 HB3 LEU 22 - HA THR 25 far 0 63 0 - 9.0-11.4 HD3 LYS 24 - HA THR 18 far 0 64 0 - 9.1-13.3 HD2 LYS 31 - HA THR 25 far 0 95 0 - 9.2-17.6 HG3 ARG 84 - HA PHE 87 far 0 43 0 - 9.3-10.2 HG3 ARG 23 - HA SER 74 far 0 73 0 - 9.4-25.0 HD2 LYS 19 - HA THR 25 far 0 98 0 - 9.6-17.8 HD3 LYS 95 - HA PHE 87 far 0 36 0 - 9.7-12.5 HD3 LYS 19 - HA PHE 87 far 0 43 0 - 9.9-41.0 HD2 LYS 19 - HA PHE 87 far 0 43 0 - 10.0-40.9 Violated in 0 structures by 0.00 A. Peak 9590 from aliabs.peaks (0.75, 4.29, 61.37 ppm; 4.41 A): 1 out of 10 assignments used, quality = 0.95: QG1 VAL 93 + HA SER 74 OK 95 100 100 95 3.6-4.2 9575/2.9=51, ~9576=36...(11) QD1 ILE 32 - HA THR 25 far 4 88 5 - 3.0-8.7 QD2 LEU 96 - HA SER 74 far 0 100 0 - 6.4-7.2 QD1 ILE 37 - HA SER 74 far 0 90 0 - 6.8-8.1 QG1 VAL 93 - HA PHE 87 far 0 44 0 - 8.1-8.8 QD1 LEU 96 - HA SER 74 far 0 81 0 - 8.5-9.5 QD1 ILE 32 - HA THR 18 far 0 56 0 - 8.7-20.1 QD1 ILE 37 - HA THR 25 far 0 88 0 - 8.7-14.2 QG1 VAL 93 - HA THR 18 far 0 68 0 - 9.5-30.3 HG12 ILE 129 - HA PHE 87 far 0 43 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 9591 from aliabs.peaks (0.30, 4.29, 61.37 ppm; 6.61 A): 1 out of 2 assignments used, quality = 0.96: QG2 VAL 93 + HA SER 74 OK 96 96 100 100 4.5-5.1 2.1/9590=100...(14) QG2 VAL 93 - HA PHE 87 far 0 39 0 - 7.3-8.0 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 6 assignments used, quality = 0.99: QG1 VAL 77 + HA SER 74 OK 99 99 100 100 2.4-3.3 11188=98, 2.1/11195=75...(18) QG1 VAL 77 - HA PHE 87 far 0 42 0 - 5.9-6.8 QG1 VAL 77 - HA THR 18 far 0 66 0 - 6.4-26.4 QG2 VAL 133 - HA SER 74 far 0 83 0 - 7.9-8.5 QG1 VAL 77 - HA THR 25 far 0 98 0 - 7.9-15.0 QG2 VAL 133 - HA PHE 87 far 0 31 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 9604 from aliabs.peaks (0.78, 4.32, 45.42 ppm; 5.40 A increased from 4.80 A): 1 out of 4 assignments used, quality = 0.98: QD1 ILE 37 + HA2 GLY 75 OK 98 99 100 100 3.9-5.5 9608/1.8=88, 9026/2.9=73...(10) QD1 ILE 32 - HA2 GLY 75 far 0 99 0 - 7.3-10.3 QG1 VAL 93 - HA2 GLY 75 far 0 68 0 - 7.3-7.8 QD2 LEU 96 - HA2 GLY 75 far 0 65 0 - 9.2-10.0 Violated in 1 structures by 0.01 A. Peak 9607 from aliabs.peaks (0.92, 3.89, 45.42 ppm; 6.80 A): 3 out of 10 assignments used, quality = 0.99: QG2 ILE 37 + HA3 GLY 75 OK 95 95 100 100 4.2-4.8 3.0/9608=98...(12) QD1 LEU 119 + HA2 GLY 114 OK 59 59 100 100 2.2-3.7 10165/1.8=100...(12) QG2 VAL 112 + HA2 GLY 114 OK 58 73 80 100 6.8-8.2 ~11492=78, ~11518=76...(6) QD1 LEU 62 - HA2 GLY 114 lone 12 70 100 17 5.3-7.2 3787/2253=8, 3795/9608=3 QG2 VAL 20 - HA3 GLY 75 far 3 63 5 - 7.3-20.6 QG1 VAL 118 - HA2 GLY 114 far 0 39 0 - 8.0-9.2 QD1 LEU 123 - HA2 GLY 114 far 0 72 0 - 8.7-10.1 QG1 VAL 57 - HA2 GLY 114 far 0 52 0 - 9.0-11.0 QG1 VAL 20 - HA3 GLY 75 far 0 95 0 - 9.0-23.2 QG2 VAL 63 - HA2 GLY 114 far 0 67 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 9608 from aliabs.peaks (0.76, 3.89, 45.42 ppm; 5.12 A): 2 out of 8 assignments used, quality = 0.98: QD1 ILE 37 + HA3 GLY 75 OK 97 99 100 98 2.7-4.0 9604/1.8=76, 9026/2.9=67...(6) QD2 LEU 119 + HA2 GLY 114 OK 36 39 95 99 3.8-5.8 2.1/10163=62, ~10160=58...(10) QD1 LEU 103 - HA2 GLY 114 far 0 54 0 - 6.7-8.7 QG1 VAL 93 - HA3 GLY 75 far 0 97 0 - 7.3-7.8 QD1 ILE 32 - HA3 GLY 75 far 0 99 0 - 7.9-9.8 QD2 LEU 103 - HA2 GLY 114 far 0 39 0 - 8.0-10.0 QD2 LEU 122 - HA2 GLY 114 far 0 44 0 - 8.4-12.0 QD2 LEU 96 - HA3 GLY 75 far 0 96 0 - 8.8-9.6 Violated in 0 structures by 0.00 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 4.2-4.8 10880=83, 9092/3.0=78...(21) QD1 ILE 129 - HA TYR 76 far 0 89 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 9616 from aliabs.peaks (1.18, 4.31, 59.75 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 77 + HA TYR 76 OK 100 100 100 100 6.0-6.1 7044/3.6=99...(23) QB ALA 41 + HA TYR 76 OK 94 100 95 100 6.5-7.5 10819/10833=98...(7) HG3 LYS 39 - HA TYR 76 far 0 83 0 - 8.1-9.7 QG2 THR 25 - HA TYR 76 far 0 100 0 - 8.6-15.4 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 2.1-2.5 9092/1.8=90...(19) QD1 ILE 129 - HB2 ASP 131 far 0 95 0 - 6.6-7.8 QD1 ILE 129 - HB2 TYR 76 far 0 97 0 - 7.0-8.4 QD1 LEU 42 - HB2 ASP 131 far 0 97 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 9619 from aliabs.peaks (2.31, 2.76, 40.83 ppm; 5.00 A): 1 out of 6 assignments used, quality = 0.57: HB VAL 77 + HB2 TYR 76 OK 57 60 95 100 4.3-6.0 3.9/7037=65, ~11169=53...(18) HB3 GLN 134 - HB2 ASP 131 far 8 84 10 - 5.5-7.6 HG2 GLU 128 - HB2 ASP 131 far 5 55 10 - 4.2-6.5 HG2 GLU 44 - HB2 TYR 76 far 0 100 0 - 8.9-12.2 HG3 GLN 68 - HB2 TYR 76 far 0 99 0 - 9.4-10.3 HG2 GLU 40 - HB2 TYR 76 far 0 81 0 - 10.0-12.7 Violated in 1 structures by 0.05 A. Peak 9620 from aliabs.peaks (3.79, 2.76, 40.83 ppm; 6.35 A): 3 out of 13 assignments used, quality = 0.99: HA SER 130 + HB2 ASP 131 OK 84 84 100 100 5.6-5.7 3.6/7903=99, ~11646=66...(11) HB3 SER 130 + HB2 ASP 131 OK 82 82 100 100 4.1-5.1 4.6/7903=93...(12) HB2 SER 130 + HB2 ASP 131 OK 57 58 100 99 4.8-6.1 4.6/7903=93, ~10520=37...(8) HA VAL 133 - HB2 TYR 76 far 4 76 5 - 6.7-8.1 HA SER 130 - HB2 TYR 76 far 0 87 0 - 7.6-8.8 HA ARG 90 - HB2 TYR 76 far 0 99 0 - 7.6-10.2 HA VAL 133 - HB2 ASP 131 far 0 73 0 - 8.0-8.1 HA LEU 43 - HB2 TYR 76 far 0 93 0 - 8.0-8.5 HA LEU 43 - HB2 ASP 131 far 0 91 0 - 8.2-8.9 HB2 SER 9 - HB2 ASP 131 far 0 76 0 - 8.5-53.7 HB3 SER 9 - HB2 ASP 131 far 0 96 0 - 8.9-52.0 HB2 SER 130 - HB2 TYR 76 far 0 60 0 - 9.0-11.1 HB3 SER 130 - HB2 TYR 76 far 0 85 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 9622 from aliabs.peaks (4.30, 6.48, 116.85 ppm; 5.20 A): 1 out of 6 assignments used, quality = 1.00: HA TYR 76 + QE TYR 76 OK 100 100 100 100 4.6-4.7 4.7=100 HA PRO 81 - QE TYR 76 far 0 71 0 - 5.8-7.0 HA LYS 36 - QE TYR 76 far 0 87 0 - 8.2-8.9 HA ASP 131 - QE TYR 76 far 0 99 0 - 8.4-9.6 HA2 GLY 75 - QE TYR 76 far 0 76 0 - 8.6-8.6 HA SER 74 - QE TYR 76 far 0 93 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 9624 from aliabs.peaks (3.76, 6.48, 116.85 ppm; 5.51 A): 1 out of 5 assignments used, quality = 0.99: HA VAL 133 + QE TYR 76 OK 99 99 100 100 2.9-3.7 10559=99, 3.2/10555=91...(17) HA SER 130 - QE TYR 76 far 10 97 10 - 5.8-7.0 HA LEU 43 - QE TYR 76 far 0 92 0 - 6.7-7.6 HA THR 83 - QE TYR 76 far 0 81 0 - 8.4-9.2 HB3 SER 130 - QE TYR 76 far 0 97 0 - 8.4-9.6 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 2.3-3.1 9036=99, 10578/10558=73...(16) Violated in 0 structures by 0.00 A. Peak 9626 from aliabs.peaks (3.14, 6.48, 116.85 ppm; 6.27 A): 1 out of 5 assignments used, quality = 1.00: HB3 TYR 76 + QE TYR 76 OK 100 100 100 100 4.4-4.5 4.5=100 HD2 ARG 90 - QE TYR 76 far 0 63 0 - 8.3-9.4 HD2 ARG 23 - QE TYR 76 far 0 73 0 - 8.9-26.8 HD3 ARG 90 - QE TYR 76 far 0 71 0 - 9.3-10.9 HD3 ARG 23 - QE TYR 76 far 0 81 0 - 9.5-26.9 Violated in 0 structures by 0.00 A. Peak 9627 from aliabs.peaks (2.74, 6.48, 116.85 ppm; 6.80 A): 1 out of 4 assignments used, quality = 0.83: HB2 TYR 76 + QE TYR 76 OK 83 83 100 100 4.4-4.4 4.5=100 HB2 CYS 73 - QE TYR 76 far 0 100 0 - 8.3-9.6 HB3 ASP 78 - QE TYR 76 far 0 83 0 - 9.2-9.5 HB2 ASP 131 - QE TYR 76 far 0 73 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 9628 from aliabs.peaks (2.08, 6.48, 116.85 ppm; 6.29 A): 2 out of 5 assignments used, quality = 1.00: HB3 LYS 39 + QE TYR 76 OK 100 100 100 100 3.8-4.5 9037=93, 3.0/9036=92...(10) HB2 PRO 81 + QE TYR 76 OK 23 90 100 26 5.4-6.5 1.8/11162=24 HB3 GLN 82 - QE TYR 76 poor 18 99 45 41 6.6-9.5 11263/9739=39 HG3 GLN 134 - QE TYR 76 far 0 100 0 - 7.5-8.3 HB3 GLU 44 - QE TYR 76 far 0 98 0 - 9.2-10.3 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 5 assignments used, quality = 1.00: HB2 LYS 39 + QE TYR 76 OK 96 96 100 100 3.0-4.8 3.0/9036=82, 1.8/9037=76...(13) HB ILE 80 + QE TYR 76 OK 92 92 100 100 4.4-4.8 3.2/9746=95, 9738=86...(23) HG13 ILE 129 - QE TYR 76 far 0 99 0 - 8.5-9.9 HG3 ARG 90 - QE TYR 76 far 0 95 0 - 9.2-10.5 HB2 LYS 19 - QE TYR 76 far 0 99 0 - 10.0-33.2 Violated in 0 structures by 0.00 A. Peak 9630 from aliabs.peaks (1.18, 6.48, 116.85 ppm; 4.85 A): 2 out of 3 assignments used, quality = 0.98: QB ALA 41 + QE TYR 76 OK 88 100 100 89 5.0-5.4 9042/9034=38...(10) HG3 LYS 39 + QE TYR 76 OK 82 83 100 99 3.4-4.9 4.0/9036=56, 2.9/9037=48...(14) QG2 VAL 77 - QE TYR 76 far 5 100 5 - 5.4-5.8 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 1.8-2.4 10555=97, 2.1/10558=84...(24) QG1 VAL 77 - QE TYR 76 far 0 96 0 - 6.5-6.8 Violated in 0 structures by 0.00 A. Peak 9632 from aliabs.peaks (0.83, 6.48, 116.85 ppm; 4.30 A): 3 out of 5 assignments used, quality = 1.00: QG1 VAL 133 + QE TYR 76 OK 100 100 100 100 1.9-3.7 10558=91, 2.1/10555=84...(20) QG2 ILE 80 + QE TYR 76 OK 82 83 100 100 4.2-4.5 3.1/9746=73, 2.1/9738=43...(24) HG13 ILE 80 + QE TYR 76 OK 76 76 100 100 1.9-2.4 2.1/9746=88, 3.0/9738=39...(24) QG2 ILE 129 - QE TYR 76 far 0 97 0 - 5.2-6.1 QG2 ILE 32 - QE TYR 76 far 0 100 0 - 9.5-10.2 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 2.9-3.3 9746=92, 10588/10555=64...(39) Violated in 0 structures by 0.00 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 3.9-4.9 11676/10555=76...(18) QD1 ILE 129 - QE TYR 76 far 0 76 0 - 7.7-8.4 Violated in 0 structures by 0.00 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 2.1-2.7 9092=98, 9617/1.8=78...(19) QD1 ILE 129 - HB3 TYR 76 far 0 97 0 - 7.2-8.7 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 2.9-4.0 11742/2401=81...(35) QB ALA 92 + HA ILE 129 OK 86 86 100 100 3.3-3.8 9952=100, 9946/3.2=79...(18) QB ALA 34 - HA VAL 77 far 0 93 0 - 6.8-8.8 HG3 LYS 19 - HA VAL 77 far 0 98 0 - 7.7-35.6 QB ALA 92 - HA VAL 77 far 0 100 0 - 8.5-9.0 HG2 LYS 86 - HA ILE 129 far 0 74 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 9645 from aliabs.peaks (1.74, 3.45, 65.83 ppm; 4.77 A): 2 out of 10 assignments used, quality = 1.00: HB ILE 80 + HA VAL 77 OK 99 99 100 100 2.5-2.9 3.2/9725=84...(36) HG13 ILE 129 + HA ILE 129 OK 86 86 100 100 2.9-4.0 3.7=100 HG3 ARG 90 - HA VAL 77 far 0 100 0 - 5.8-6.4 HG13 ILE 129 - HA VAL 77 far 0 100 0 - 7.8-10.6 HG3 ARG 90 - HA ILE 129 far 0 85 0 - 8.4-10.2 HB2 LYS 39 - HA VAL 77 far 0 83 0 - 8.8-10.9 HB2 LYS 19 - HA VAL 77 far 0 100 0 - 9.2-36.0 HB ILE 80 - HA ILE 129 far 0 84 0 - 9.3-9.8 HD3 LYS 39 - HA VAL 77 far 0 60 0 - 9.8-12.4 HB2 ARG 23 - HA VAL 77 far 0 97 0 - 9.9-27.5 Violated in 0 structures by 0.00 A. Peak 9646 from aliabs.peaks (0.80, 2.34, 31.42 ppm; 5.51 A increased from 4.89 A): 3 out of 8 assignments used, quality = 0.99: HG13 ILE 80 + HB VAL 77 OK 88 98 90 100 5.2-6.2 ~9649=86, ~9648=75...(43) QG2 ILE 80 + HB VAL 77 OK 76 96 80 100 5.8-6.4 ~9649=71, ~9648=62...(40) QG2 ILE 129 + HB VAL 77 OK 72 81 100 89 5.1-5.5 10457/9671=59, 11239=36...(8) QD1 LEU 70 - HB VAL 77 far 0 98 0 - 7.0-8.1 QD1 LEU 103 - HB2 PRO 117 far 0 26 0 - 7.4-8.3 QD2 LEU 119 - HB2 PRO 117 far 0 34 0 - 8.1-8.4 QD2 LEU 122 - HB2 PRO 117 far 0 31 0 - 8.1-10.0 QD1 LEU 122 - HB2 PRO 117 far 0 40 0 - 9.0-11.1 Violated in 0 structures by 0.00 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 3.2-3.6 9649/2.1=86, 9648/2.1=77...(42) QG2 VAL 93 + HB VAL 77 OK 94 96 100 99 4.0-4.4 9969/2.1=69...(15) Violated in 0 structures by 0.00 A. Peak 9648 from aliabs.peaks (0.28, 1.05, 19.58 ppm; 4.14 A increased from 3.90 A): 1 out of 2 assignments used, quality = 0.92: QD1 ILE 80 + QG1 VAL 77 OK 92 92 100 100 3.9-4.1 9649/2.1=74, 9725/3.2=63...(57) QG2 VAL 93 - QG1 VAL 77 far 5 99 5 - 4.7-5.1 Violated in 0 structures by 0.00 A. Peak 9649 from aliabs.peaks (0.27, 1.19, 22.02 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + QG2 VAL 77 OK 100 100 100 100 1.8-2.3 9725/2401=49...(52) QG2 VAL 93 - QG2 VAL 77 far 4 76 5 - 3.7-4.4 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 3 assignments used, quality = 0.30: HG3 LYS 86 + QG1 VAL 77 OK 30 99 30 100 3.0-5.1 1.8/9650=75...(29) HG LEU 42 - QG1 VAL 77 far 0 85 0 - 8.6-9.1 HG3 LYS 24 - QG1 VAL 77 far 0 83 0 - 9.6-19.9 Violated in 15 structures by 0.73 A. Peak 9651 from aliabs.peaks (1.75, 1.05, 19.58 ppm; 3.68 A): 1 out of 6 assignments used, quality = 0.95: HG3 ARG 90 + QG1 VAL 77 OK 95 95 100 100 2.7-3.7 1.8/9652=65...(29) HB ILE 80 - QG1 VAL 77 far 0 92 0 - 4.4-4.8 HB2 LYS 19 - QG1 VAL 77 far 0 99 0 - 4.7-28.4 HB2 ARG 23 - QG1 VAL 77 far 0 100 0 - 6.1-21.2 HG13 ILE 129 - QG1 VAL 77 far 0 99 0 - 7.3-10.0 HB2 LYS 24 - QG1 VAL 77 far 0 99 0 - 8.7-17.5 Violated in 1 structures by 0.00 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 2.5-3.6 1.8/9651=83, 9662/2.1=82...(23) HB VAL 20 - QG1 VAL 77 far 0 93 0 - 4.7-24.5 HB3 MET 11 - QG1 VAL 77 far 0 100 0 - 6.1-30.6 QE MET 11 - QG1 VAL 77 far 0 95 0 - 6.8-27.0 HB2 GLU 91 - QG1 VAL 77 far 0 83 0 - 8.2-9.2 HB ILE 129 - QG1 VAL 77 far 0 96 0 - 8.9-9.4 HG2 PRO 81 - QG1 VAL 77 far 0 99 0 - 9.3-10.1 HB3 GLU 91 - QG1 VAL 77 far 0 87 0 - 9.4-10.0 HB2 PRO 81 - QG1 VAL 77 far 0 44 0 - 10.0-10.3 Violated in 0 structures by 0.00 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 3.3-3.6 3.0/11189=81...(16) HG3 MET 11 - QG1 VAL 77 far 0 97 0 - 7.9-32.1 Violated in 0 structures by 0.00 A. Peak 9654 from aliabs.peaks (2.75, 1.05, 19.58 ppm; 4.38 A): 2 out of 5 assignments used, quality = 0.86: HB3 ASP 78 + QG1 VAL 77 OK 71 71 100 100 2.9-3.2 1.8/9653=74...(17) HB2 TYR 76 + QG1 VAL 77 OK 50 92 55 100 4.8-5.9 4.5/7043=58, 9619/2.1=52...(20) HB2 CYS 73 - QG1 VAL 77 far 0 97 0 - 5.6-6.4 HB3 ASN 13 - QG1 VAL 77 far 0 83 0 - 6.5-28.7 HB3 ASP 35 - QG1 VAL 77 far 0 81 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 9655 from aliabs.peaks (2.95, 1.05, 19.58 ppm; 4.74 A increased from 4.21 A): 1 out of 6 assignments used, quality = 1.00: HE3 LYS 86 + QG1 VAL 77 OK 100 100 100 100 3.5-5.1 1.8/11201=92...(21) HE3 LYS 19 - QG1 VAL 77 far 5 100 5 - 3.9-30.1 HE2 LYS 19 - QG1 VAL 77 far 5 100 5 - 5.2-29.9 HE2 LYS 26 - QG1 VAL 77 far 0 99 0 - 8.7-13.3 HE3 LYS 26 - QG1 VAL 77 far 0 97 0 - 9.0-13.9 HE3 LYS 24 - QG1 VAL 77 far 0 100 0 - 9.0-19.5 Violated in 3 structures by 0.04 A. Peak 9656 from aliabs.peaks (3.17, 1.05, 19.58 ppm; 3.63 A): 2 out of 4 assignments used, quality = 1.00: HD2 ARG 90 + QG1 VAL 77 OK 99 99 100 100 1.8-2.9 3.0/9651=55, 3.0/9652=50...(34) HD3 ARG 90 + QG1 VAL 77 OK 97 97 100 100 1.7-3.4 3.0/9651=55, 3.0/9652=50...(34) HD3 ARG 23 - QG1 VAL 77 far 0 92 0 - 5.9-22.0 HD2 ARG 23 - QG1 VAL 77 far 0 96 0 - 6.9-22.1 Violated in 0 structures by 0.00 A. Peak 9657 from aliabs.peaks (3.17, 2.34, 31.42 ppm; 5.51 A): 2 out of 6 assignments used, quality = 1.00: HD2 ARG 90 + HB VAL 77 OK 100 100 100 100 2.1-3.7 2.9/11174=78, ~9662=72...(37) HD3 ARG 90 + HB VAL 77 OK 99 99 100 100 2.8-5.0 2.9/11174=78, ~9662=72...(37) HB3 HIS 3 - HB2 PRO 117 far 2 38 5 - 2.2-68.4 HB2 HIS 6 - HB2 PRO 117 far 0 35 0 - 7.6-61.3 HB2 HIS 8 - HB2 PRO 117 far 0 29 0 - 9.1-55.2 HD3 ARG 23 - HB VAL 77 far 0 97 0 - 9.2-28.5 Violated in 0 structures by 0.00 A. Peak 9659 from aliabs.peaks (3.17, 1.19, 22.02 ppm; 3.46 A): 2 out of 8 assignments used, quality = 1.00: HD2 ARG 90 + QG2 VAL 77 OK 99 99 100 100 1.7-2.4 3.0/9662=54, 11384=47...(36) HD3 ARG 90 + QG2 VAL 77 OK 97 97 100 100 2.3-3.5 3.0/9662=54, 11384=47...(36) HD3 ARG 23 - QG2 VAL 77 far 0 92 0 - 7.4-24.4 HD3 ARG 84 - QG2 VAL 77 far 0 92 0 - 8.2-11.5 HD2 ARG 84 - QG2 VAL 77 far 0 92 0 - 8.5-11.4 HD2 ARG 23 - QG2 VAL 77 far 0 96 0 - 8.6-24.4 HB2 HIS 10 - QG2 VAL 77 far 0 100 0 - 9.2-36.2 HB3 CYS 125 - QG2 VAL 77 far 0 65 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 9660 from aliabs.peaks (2.94, 1.19, 22.02 ppm; 4.07 A): 1 out of 5 assignments used, quality = 0.99: HE3 LYS 86 + QG2 VAL 77 OK 99 99 100 100 2.7-4.2 1.8/11196=80...(21) HE3 LYS 19 - QG2 VAL 77 far 0 98 0 - 5.0-32.4 HE2 LYS 19 - QG2 VAL 77 far 0 98 0 - 6.3-32.2 HE2 LYS 39 - QG2 VAL 77 far 0 87 0 - 9.2-11.7 HD2 ARG 135 - QG2 VAL 77 far 0 81 0 - 9.5-10.5 Violated in 2 structures by 0.01 A. Peak 9662 from aliabs.peaks (2.01, 1.19, 22.02 ppm; 3.46 A): 1 out of 10 assignments used, quality = 0.96: HG2 ARG 90 + QG2 VAL 77 OK 96 96 100 100 1.7-2.0 9652/2.1=54...(25) HB VAL 20 - QG2 VAL 77 far 0 97 0 - 5.5-26.9 HB2 GLU 91 - QG2 VAL 77 far 0 90 0 - 6.4-7.2 HB3 MET 11 - QG2 VAL 77 far 0 100 0 - 6.9-32.4 HB ILE 129 - QG2 VAL 77 far 0 99 0 - 7.2-8.1 HG2 PRO 81 - QG2 VAL 77 far 0 100 0 - 7.5-9.1 HB3 GLU 91 - QG2 VAL 77 far 0 78 0 - 7.6-8.2 QE MET 11 - QG2 VAL 77 far 0 89 0 - 7.9-29.0 HG3 ARG 135 - QG2 VAL 77 far 0 78 0 - 7.9-8.9 HB2 PRO 81 - QG2 VAL 77 far 0 41 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 9663 from aliabs.peaks (1.77, 1.19, 22.02 ppm; 3.61 A increased from 3.21 A): 1 out of 5 assignments used, quality = 0.73: HB2 LYS 86 + QG2 VAL 77 OK 73 73 100 100 3.0-3.6 3.0/11742=57...(28) HG13 ILE 129 - QG2 VAL 77 far 0 68 0 - 5.7-8.8 HB2 LYS 19 - QG2 VAL 77 far 0 65 0 - 6.8-30.6 HB2 ARG 23 - QG2 VAL 77 far 0 87 0 - 7.8-23.5 HB2 LYS 39 - QG2 VAL 77 far 0 99 0 - 9.1-11.0 Violated in 0 structures by 0.00 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 3.6-4.4 2.2/9667=86, 9671/3.0=85...(27) QE PHE 89 + HA ILE 129 OK 82 82 100 100 3.6-5.0 10457/3.2=87...(21) 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 2.9-4.1 9677/2401=95...(27) QD PHE 89 + HA ILE 129 OK 86 86 100 100 3.3-4.1 3.1/11369=67...(22) 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 1 assignment used, quality = 0.78: H ILE 80 + HA VAL 77 OK 78 78 100 100 2.9-3.2 5.0/9725=92, 3.9/9645=87...(16) Violated in 0 structures by 0.00 A. Peak 9669 from aliabs.peaks (6.47, 3.45, 65.83 ppm; 5.87 A): 1 out of 2 assignments used, quality = 0.99: QE TYR 76 + HA VAL 77 OK 99 99 100 100 4.5-4.9 9746/9725=95...(23) QE TYR 76 - HA ILE 129 far 0 84 0 - 7.1-8.2 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 2.5-3.1 9676/2.1=74, 2.2/9672=70...(21) 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 2.0-3.1 9677/2.1=86, 2.2/9671=74...(28) Violated in 0 structures by 0.00 A. Peak 9673 from aliabs.peaks (7.42, 1.05, 19.58 ppm; 4.38 A increased from 4.13 A): 1 out of 1 assignment used, quality = 0.93: QE PHE 89 + QG1 VAL 77 OK 93 93 100 100 3.8-4.5 9676/2.1=87, 2.2/9674=78...(23) Violated in 2 structures by 0.01 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 3.5-4.1 9677/2.1=85, 9672/2.1=70...(30) Violated in 0 structures by 0.00 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 3.4-3.8 2.2/9677=75, 9671/2.1=57...(25) Violated in 1 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 1.8-2.0 2.2/9676=56, 9672/2.1=48...(30) Violated in 0 structures by 0.00 A. Peak 9682 from aliabs.peaks (3.74, 3.45, 65.83 ppm; 6.80 A increased from 6.23 A): 3 out of 3 assignments used, quality = 0.92: HA THR 83 + HA VAL 77 OK 68 100 75 91 6.6-7.5 11342/11858=64...(6) HA VAL 133 + HA VAL 77 OK 52 60 100 86 6.5-7.2 3.2/10566=47...(7) HA VAL 133 + HA ILE 129 OK 46 46 100 100 6.2-7.1 3.2/10479=84...(13) 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 6 assignments used, quality = 1.00: HA PHE 89 + HA VAL 77 OK 100 100 100 100 6.2-6.7 3.1/9667=93, 4.7/9666=75...(23) HA PHE 89 + HA ILE 129 OK 86 86 100 100 3.0-3.6 11369=100, 2897/9952=92...(23) HA CYS 79 + HA VAL 77 OK 81 81 100 100 6.1-6.3 2.9/9702=91, 3.6/9668=87...(11) HA ALA 92 + HA ILE 129 OK 37 43 85 100 6.3-7.0 2.1/9952=100, ~9946=78...(15) HB3 SER 74 - HA VAL 77 far 0 71 0 - 7.8-8.7 HB2 SER 74 - HA VAL 77 far 0 60 0 - 8.0-8.8 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 3.3-3.6 9653=98, 7052/7055=93...(16) QG2 VAL 133 - HB2 ASP 78 far 0 93 0 - 8.7-9.6 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 2.9-3.2 7052/7056=90...(18) QG2 VAL 133 - HB2 ASP 47 far 0 70 0 - 8.2-10.9 QG2 VAL 133 - HB3 ASP 78 far 0 78 0 - 9.4-10.2 QG1 VAL 77 - HB3 ASP 35 far 0 53 0 - 9.8-12.5 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 2.7-2.9 11189=93, 7052/2.9=76...(21) QG2 VAL 133 - HA ASP 78 far 0 99 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 9705 from aliabs.peaks (6.48, 2.60, 26.84 ppm; 4.56 A increased from 4.29 A): 2 out of 2 assignments used, quality = 0.77: QD TYR 76 + HB3 CYS 79 OK 70 73 100 95 4.1-4.5 ~9706=50, 3.1/11911=47...(11) QE TYR 76 + HB3 CYS 79 OK 24 100 25 97 4.9-5.4 9706/1.8=71, 9704/4.4=44...(10) Violated in 0 structures by 0.00 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 96 4.2-4.8 9704/4.4=49, ~9705=43...(10) Violated in 1 structures by 0.00 A. Peak 9713 from aliabs.peaks (1.42, 1.74, 38.30 ppm; 5.31 A): 1 out of 4 assignments used, quality = 0.97: HG2 LYS 86 + HB ILE 80 OK 97 97 100 100 2.2-4.2 9720/3.2=86...(35) QB ALA 34 - HB ILE 80 far 0 97 0 - 7.5-9.7 HG3 LYS 19 - HB ILE 80 far 0 95 0 - 8.2-35.9 QB ALA 92 - HB ILE 80 far 0 100 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 9714 from aliabs.peaks (2.25, 0.82, 16.85 ppm; 5.11 A increased from 4.31 A): 2 out of 8 assignments used, quality = 1.00: HB3 LEU 96 + QG2 ILE 129 OK 100 100 100 100 4.9-5.6 10492/4163=90...(19) HB2 PRO 81 + QG2 ILE 80 OK 45 45 100 100 4.5-5.1 11281=96, 2.3/11909=74...(29) HB3 GLU 128 - QG2 ILE 129 far 0 93 0 - 6.3-6.8 HG2 GLU 97 - QG2 ILE 129 far 0 100 0 - 6.6-7.5 HB3 GLN 127 - QG2 ILE 129 far 0 76 0 - 7.9-8.2 HG2 GLU 30 - QG2 ILE 32 far 0 32 0 - 8.0-8.5 HB3 GLU 97 - QG2 ILE 129 far 0 68 0 - 8.3-9.7 HB2 GLN 68 - QG2 ILE 129 far 0 65 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 9715 from aliabs.peaks (2.45, 0.82, 16.85 ppm; 5.43 A increased from 4.58 A): 2 out of 5 assignments used, quality = 0.87: HG3 GLN 82 + QG2 ILE 80 OK 68 68 100 100 3.1-5.2 2.9/11263=88...(11) HG2 GLN 82 + QG2 ILE 80 OK 60 60 100 100 4.5-5.6 2.9/11263=88...(11) HG3 GLN 127 - QG2 ILE 129 far 0 68 0 - 8.4-9.3 HG3 GLN 82 - QG2 ILE 129 far 0 85 0 - 9.2-12.7 HG2 GLN 82 - QG2 ILE 129 far 0 76 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 9719 from aliabs.peaks (1.06, 0.27, 13.24 ppm; 3.42 A): 2 out of 2 assignments used, quality = 0.97: QG2 VAL 133 + QD1 ILE 80 OK 88 89 100 100 2.7-3.2 10588=61, 3.2/9726=40...(34) QG1 VAL 77 + QD1 ILE 80 OK 75 100 75 100 3.9-4.1 2.1/9649=70, 3.2/9725=52...(55) Violated in 0 structures by 0.00 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 2.3-3.8 1.8/11225=68...(37) QB ALA 92 - QD1 ILE 80 far 0 100 0 - 6.1-6.8 QB ALA 34 - QD1 ILE 80 far 0 97 0 - 7.1-8.7 HG3 LYS 19 - QD1 ILE 80 far 0 95 0 - 7.9-31.5 Violated in 0 structures by 0.00 A. Peak 9721 from aliabs.peaks (1.95, 0.27, 13.24 ppm; 4.46 A increased from 4.20 A): 1 out of 4 assignments used, quality = 1.00: HB3 LYS 86 + QD1 ILE 80 OK 100 100 100 100 3.7-4.4 3.0/9727=79...(35) HB3 ARG 90 - QD1 ILE 80 far 0 100 0 - 6.4-7.0 HB3 PRO 81 - QD1 ILE 80 far 0 100 0 - 6.8-7.5 HB ILE 37 - QD1 ILE 80 far 0 92 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 9722 from aliabs.peaks (2.31, 0.27, 13.24 ppm; 4.45 A): 1 out of 2 assignments used, quality = 0.60: HB VAL 132 + QD1 ILE 80 OK 60 60 100 100 3.4-3.9 2.1/11738=92...(18) HB3 GLN 134 - QD1 ILE 80 far 0 85 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 9723 from aliabs.peaks (2.71, 0.27, 13.24 ppm; 4.39 A): 1 out of 3 assignments used, quality = 0.85: HB2 ASN 85 + QD1 ILE 80 OK 85 85 100 100 3.1-4.1 1.8/11222=77...(18) HB2 CYS 73 - QD1 ILE 80 far 0 57 0 - 6.6-7.5 HB3 ASP 78 - QD1 ILE 80 far 0 92 0 - 6.6-6.9 Violated in 0 structures by 0.00 A. Peak 9724 from aliabs.peaks (3.32, 0.27, 13.24 ppm; 3.46 A): 2 out of 4 assignments used, quality = 1.00: HB2 PHE 89 + QD1 ILE 80 OK 99 100 100 99 1.9-2.3 2.7/9747=52...(27) HB3 PHE 89 + QD1 ILE 80 OK 87 89 100 98 2.2-2.8 2.7/9747=52...(24) HB3 CYS 73 - QD1 ILE 80 far 0 96 0 - 5.3-6.5 HB3 TYR 72 - QD1 ILE 80 far 0 85 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 9725 from aliabs.peaks (3.44, 0.27, 13.24 ppm; 3.27 A): 1 out of 4 assignments used, quality = 0.98: HA VAL 77 + QD1 ILE 80 OK 98 98 100 100 1.8-1.9 9643=62, 2401/9649=48...(35) HA ILE 129 - QD1 ILE 80 far 0 95 0 - 5.3-5.8 HA LEU 42 - QD1 ILE 80 far 0 63 0 - 8.3-8.8 HA VAL 126 - QD1 ILE 80 far 0 99 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 9726 from aliabs.peaks (3.78, 0.27, 13.24 ppm; 4.08 A increased from 3.84 A): 1 out of 5 assignments used, quality = 0.93: HA VAL 133 + QD1 ILE 80 OK 93 93 100 100 3.6-4.0 3.2/10588=61, 10590=53...(21) HA ARG 90 - QD1 ILE 80 far 0 89 0 - 5.3-5.9 HA SER 130 - QD1 ILE 80 far 0 98 0 - 6.4-6.8 HA LEU 43 - QD1 ILE 80 far 0 100 0 - 8.2-8.7 HB3 SER 130 - QD1 ILE 80 far 0 97 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 9727 from aliabs.peaks (3.89, 0.27, 13.24 ppm; 3.55 A): 1 out of 5 assignments used, quality = 1.00: HA LYS 86 + QD1 ILE 80 OK 100 100 100 100 1.9-2.2 9820=72, 11193/9649=48...(37) HA3 GLY 75 - QD1 ILE 80 far 0 99 0 - 7.7-7.9 HA LEU 70 - QD1 ILE 80 far 0 99 0 - 8.7-9.2 HB2 SER 94 - QD1 ILE 80 far 0 96 0 - 8.8-9.8 HA ALA 46 - QD1 ILE 80 far 0 100 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 9728 from aliabs.peaks (3.44, 1.21, 27.07 ppm; 5.27 A): 1 out of 2 assignments used, quality = 0.97: HA VAL 77 + HG12 ILE 80 OK 97 97 100 100 3.9-4.4 9725/2.1=100...(33) HA ILE 129 - HG12 ILE 80 far 0 93 0 - 7.5-8.2 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 3.2-3.7 9819/2.1=91, 9727/3.2=83...(32) HA3 GLY 75 - HB ILE 80 far 0 99 0 - 9.3-9.6 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 2.5-2.9 9645=99, 9643/3.2=95...(36) HA ILE 129 - HB ILE 80 far 0 100 0 - 9.3-9.8 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 11 assignments used, quality = 0.88: HA PRO 81 + QG2 ILE 80 OK 79 81 100 98 3.7-3.9 3.6/9742=58...(13) HA CYS 73 + QG2 ILE 129 OK 43 47 100 93 3.2-4.0 11142=35, 9102/9083=28...(22) HA LEU 69 - QG2 ILE 129 far 0 88 0 - 5.3-6.3 HA CYS 125 - QG2 ILE 129 far 0 84 0 - 5.9-6.4 HA GLN 134 - QG2 ILE 80 far 0 100 0 - 7.5-8.5 HA CYS 73 - QG2 ILE 80 far 0 60 0 - 7.8-8.6 HA GLN 134 - QG2 ILE 129 far 0 86 0 - 8.3-9.1 HA ASP 47 - QG2 ILE 129 far 0 81 0 - 8.4-9.0 HA2 GLY 75 - QG2 ILE 129 far 0 60 0 - 8.7-9.1 HA LYS 24 - QG2 ILE 80 far 0 85 0 - 9.0-23.3 HA2 GLY 75 - QG2 ILE 80 far 0 76 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 9736 from aliabs.peaks (4.32, 0.27, 13.24 ppm; 5.42 A increased from 4.56 A): 1 out of 6 assignments used, quality = 0.93: HA TYR 76 + QD1 ILE 80 OK 93 93 100 100 5.1-5.4 4.7/9746=75, 11152=60...(24) HA PRO 81 - QD1 ILE 80 far 0 99 0 - 6.5-6.7 HA ALA 21 - QD1 ILE 80 far 0 68 0 - 7.4-27.0 HA2 GLY 75 - QD1 ILE 80 far 0 100 0 - 7.4-7.6 HA ASP 131 - QD1 ILE 80 far 0 95 0 - 8.1-8.5 HA LEU 69 - QD1 ILE 80 far 0 65 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 9737 from aliabs.peaks (6.47, 4.12, 58.62 ppm; 5.50 A): 2 out of 4 assignments used, quality = 1.00: QE TYR 76 + HA ILE 80 OK 100 100 100 100 2.3-3.4 9746/2472=90...(13) QD TYR 76 + HA ILE 80 OK 59 60 100 99 3.4-4.3 ~9704=55, ~9738=48...(14) QD TYR 76 - HA CYS 79 far 1 29 5 - 6.1-6.5 QE TYR 76 - HA CYS 79 far 0 59 0 - 6.3-6.8 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 4.4-4.8 9746/3.2=96...(22) Violated in 0 structures by 0.00 A. Peak 9739 from aliabs.peaks (6.47, 0.81, 17.00 ppm; 4.54 A increased from 4.03 A): 3 out of 4 assignments used, quality = 1.00: QE TYR 76 + QG2 ILE 80 OK 100 100 100 100 4.2-4.5 9746/3.1=79, 9738/2.1=50...(26) QD TYR 76 + QG2 ILE 80 OK 57 60 95 100 4.9-5.2 ~9746=47, ~9633=39...(35) QD TYR 76 + QG2 ILE 129 OK 37 47 100 80 4.4-5.1 9112/9083=33...(9) QE TYR 76 - QG2 ILE 129 far 0 87 0 - 5.2-6.1 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 4.6-5.2 9747/3.1=79, ~9749=45...(29) QD PHE 89 + QG2 ILE 129 OK 76 76 100 100 2.5-3.1 2.2/10457=81...(33) Violated in 0 structures by 0.00 A. Peak 9741 from aliabs.peaks (7.29, 0.81, 17.00 ppm; 4.52 A): 2 out of 9 assignments used, quality = 1.00: H ASN 85 + QG2 ILE 80 OK 98 99 100 100 3.3-3.7 3.6/11236=74...(16) HZ PHE 89 + QG2 ILE 129 OK 77 77 100 100 2.5-3.0 2.2/10457=78...(21) QD PHE 87 - QG2 ILE 80 far 0 68 0 - 6.1-7.2 QE PHE 87 - QG2 ILE 80 far 0 89 0 - 6.9-8.9 HZ PHE 89 - QG2 ILE 80 far 0 93 0 - 7.0-7.6 QD PHE 87 - QG2 ILE 129 far 0 53 0 - 8.3-9.8 H ASN 85 - QG2 ILE 129 far 0 84 0 - 8.6-9.5 QE PHE 87 - QG2 ILE 129 far 0 72 0 - 8.8-11.4 HD2 HIS 10 - QG2 ILE 129 far 0 47 0 - 9.9-36.7 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 2.5-3.5 9746/2.1=92, 9704/4.4=46...(14) QD TYR 76 + HG12 ILE 80 OK 81 81 100 100 3.6-4.4 ~9746=65, ~9633=52...(24) Violated in 0 structures by 0.00 A. Peak 9745 from aliabs.peaks (6.48, 0.81, 27.07 ppm; 4.83 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 76 + HG13 ILE 80 OK 100 100 100 100 1.9-2.4 9746/2.1=96, 9738/3.0=51...(26) QD TYR 76 + HG13 ILE 80 OK 71 71 100 100 2.3-3.0 ~9746=68, ~9633=55...(33) Violated in 0 structures by 0.00 A. Peak 9746 from aliabs.peaks (6.49, 0.27, 13.24 ppm; 3.12 A): 2 out of 2 assignments used, quality = 0.99: QE TYR 76 + QD1 ILE 80 OK 96 99 100 97 2.9-3.3 10555/10588=28, 9633=28...(33) QD TYR 76 + QD1 ILE 80 OK 86 89 100 97 2.1-2.6 2.2/9633=27...(36) Violated in 0 structures by 0.00 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 2.0-2.5 9677/9649=59...(30) Violated in 0 structures by 0.00 A. Peak 9748 from aliabs.peaks (7.33, 0.27, 13.24 ppm; 4.58 A): 1 out of 3 assignments used, quality = 0.78: HZ PHE 89 + QD1 ILE 80 OK 78 78 100 100 3.8-4.2 2.2/9749=82, 3.8/9747=66...(17) HE ARG 90 - QD1 ILE 80 far 0 97 0 - 5.2-7.0 QD PHE 87 - QD1 ILE 80 far 0 97 0 - 6.6-7.4 Violated in 0 structures by 0.00 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 3.0-3.3 2.2/9747=80...(31) Violated in 0 structures by 0.00 A. Peak 9753 from aliabs.peaks (8.28, 0.82, 16.85 ppm; 5.68 A increased from 5.05 A): 4 out of 14 assignments used, quality = 1.00: H ASP 131 + QG2 ILE 129 OK 98 98 100 100 4.9-5.5 7891/4143=85...(16) H VAL 126 + QG2 ILE 129 OK 65 100 65 100 6.1-6.4 10400/4163=71, ~4007=67...(27) H LEU 96 + QG2 ILE 129 OK 39 99 40 99 6.1-6.7 9982/4163=90...(9) H GLU 30 + QG2 ILE 32 OK 38 47 100 80 5.4-6.2 3.6/10781=29...(7) H LEU 43 - QG2 ILE 129 far 0 99 0 - 6.3-7.1 H LEU 69 - QG2 ILE 129 far 0 89 0 - 7.1-8.0 H ARG 23 - QG2 ILE 32 far 0 40 0 - 8.0-14.4 H LEU 49 - QG2 ILE 129 far 0 85 0 - 8.8-9.6 H ARG 23 - QG2 ILE 80 far 0 67 0 - 9.0-24.8 H ASP 131 - QG2 ILE 80 far 0 83 0 - 9.4-10.3 H GLU 40 - QG2 ILE 129 far 0 99 0 - 9.4-10.2 H LEU 43 - QG2 ILE 80 far 0 86 0 - 9.6-10.6 H GLU 40 - QG2 ILE 80 far 0 86 0 - 9.7-10.8 H LEU 123 - QG2 ILE 129 far 0 93 0 - 9.7-10.1 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 2.8-5.2 1.8/11341=97...(21) Violated in 0 structures by 0.00 A. Peak 9755 from aliabs.peaks (1.65, 3.74, 66.49 ppm; 4.71 A): 2 out of 7 assignments used, quality = 1.00: HD3 LYS 86 + HA THR 83 OK 100 100 100 100 2.9-4.0 11343=98, 9759/2517=82...(13) HD2 LYS 86 + HA THR 83 OK 90 100 90 100 4.1-5.4 1.8/11343=90...(13) HG2 ARG 84 - HA THR 83 far 4 89 5 - 5.1-6.5 HG3 ARG 84 - HA THR 83 far 0 93 0 - 5.5-7.6 QB ALA 88 - HA THR 83 far 0 98 0 - 7.0-7.8 HD3 LYS 19 - HA THR 83 far 0 99 0 - 7.0-39.5 HD2 LYS 19 - HA THR 83 far 0 100 0 - 7.5-39.3 Violated in 0 structures by 0.00 A. Peak 9756 from aliabs.peaks (1.63, 4.15, 68.45 ppm; 4.58 A): 2 out of 6 assignments used, quality = 0.94: HG2 ARG 84 + HB THR 83 OK 88 100 90 98 3.4-6.5 4.6/7088=59...(10) HG3 ARG 84 + HB THR 83 OK 53 99 55 98 3.8-6.9 4.6/7088=59...(10) HD3 LYS 86 - HB THR 83 far 0 83 0 - 5.3-6.4 HD2 LYS 86 - HB THR 83 far 0 76 0 - 6.8-8.0 HD2 LYS 19 - HB THR 83 far 0 89 0 - 8.3-41.0 HD3 LYS 19 - HB THR 83 far 0 92 0 - 8.4-41.3 Violated in 3 structures by 0.14 A. Peak 9757 from aliabs.peaks (1.80, 4.15, 68.45 ppm; 5.25 A increased from 4.94 A): 2 out of 3 assignments used, quality = 0.98: HB2 ARG 84 + HB THR 83 OK 97 97 100 100 4.4-5.3 11272=94, 7091/7088=87...(14) HB2 LYS 86 + HB THR 83 OK 30 100 30 100 5.4-6.4 11312/2.1=98...(15) HB3 ARG 135 - HB THR 83 far 0 83 0 - 9.4-11.1 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 3 assignments used, quality = 0.86: HB3 LYS 86 + HB THR 83 OK 71 71 100 100 4.7-5.2 9760/2.1=94, ~11312=74...(16) HB3 ARG 84 + HB THR 83 OK 53 63 85 100 4.9-5.8 3.9/7088=79...(12) HB3 PRO 81 - HB THR 83 far 0 83 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 9759 from aliabs.peaks (1.66, 1.23, 22.04 ppm; 3.72 A): 1 out of 7 assignments used, quality = 0.98: HD3 LYS 86 + QG2 THR 83 OK 98 100 100 98 2.8-3.7 11343/2517=50...(16) HG2 ARG 84 - QG2 THR 83 far 8 83 10 - 4.3-6.2 HD2 LYS 86 - QG2 THR 83 far 0 100 0 - 4.4-5.2 HG3 ARG 84 - QG2 THR 83 far 0 89 0 - 4.9-6.9 HD3 LYS 19 - QG2 THR 83 far 0 98 0 - 6.1-33.0 HD2 LYS 19 - QG2 THR 83 far 0 99 0 - 6.1-32.7 QB ALA 88 - QG2 THR 83 far 0 99 0 - 6.3-7.0 Violated in 1 structures by 0.00 A. Peak 9760 from aliabs.peaks (1.93, 1.23, 22.04 ppm; 4.04 A): 1 out of 6 assignments used, quality = 0.71: HB3 LYS 86 + QG2 THR 83 OK 71 71 100 100 2.9-3.3 1.8/11312=82...(19) HB3 ARG 84 - QG2 THR 83 far 0 63 0 - 5.2-5.9 HB2 ARG 90 - QG2 THR 83 far 0 85 0 - 7.2-8.2 HB3 PRO 81 - QG2 THR 83 far 0 83 0 - 8.1-9.3 HB3 ARG 90 - QG2 THR 83 far 0 85 0 - 8.5-9.5 HB2 MET 11 - QG2 THR 83 far 0 93 0 - 9.9-40.2 Violated in 0 structures by 0.00 A. Peak 9761 from aliabs.peaks (3.21, 1.23, 22.04 ppm; 4.38 A increased from 3.89 A): 3 out of 5 assignments used, quality = 0.95: HB2 PHE 87 + QG2 THR 83 OK 90 90 100 100 3.8-4.3 2.5/9776=83, 9835=70...(12) HD2 ARG 84 + QG2 THR 83 OK 30 76 45 87 3.2-7.3 5.0/9782=40, 5.7/2520=37...(8) HD3 ARG 84 + QG2 THR 83 OK 30 76 45 86 3.4-7.1 5.0/9782=40, 5.7/2520=37...(8) HB3 PHE 87 - QG2 THR 83 far 0 76 0 - 5.3-5.8 HD3 ARG 135 - QG2 THR 83 far 0 76 0 - 9.0-10.8 Violated in 0 structures by 0.00 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: HD3 ARG 84 + HB THR 83 OK 92 97 95 100 2.8-7.6 4.0/11272=77...(10) HD2 ARG 84 + HB THR 83 OK 87 97 90 100 2.7-7.5 4.0/11272=77...(10) HB2 PHE 87 + HB THR 83 OK 63 63 100 100 5.8-6.5 ~9776=89, ~9776=87...(13) 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 1 assignment used, quality = 0.00: HB3 ASN 13 - HB THR 83 far 0 78 0 - 8.2-43.6 Violated in 20 structures by 21.49 A. 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 4.7-4.9 3.6/9772=94, 9769/2.1=87...(7) 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 4 assignments used, quality = 0.95: HE3 LYS 86 + HA THR 83 OK 95 95 100 100 2.1-5.6 3.0/11343=97...(10) HE3 LYS 19 - HA THR 83 far 5 93 5 - 4.9-40.2 HE2 LYS 19 - HA THR 83 far 5 93 5 - 5.6-40.3 HD2 ARG 135 - HA THR 83 far 0 90 0 - 9.4-12.3 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 1 assignment used, quality = 0.65: HE2 LYS 86 + HA THR 83 OK 65 65 100 100 3.8-6.3 3.0/11343=98...(11) Violated in 0 structures by 0.00 A. Peak 9769 from aliabs.peaks (4.57, 1.23, 22.04 ppm; 5.47 A increased from 4.86 A): 1 out of 1 assignment used, quality = 0.88: HA GLN 82 + QG2 THR 83 OK 88 89 100 100 5.4-5.5 3.6/9775=87, 9765/2.1=81...(5) Violated in 3 structures by 0.00 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; 3.79 A increased from 3.19 A): 1 out of 3 assignments used, quality = 0.97: QD PHE 87 + QG2 THR 83 OK 97 99 100 98 3.3-3.9 9837=78, 2.5/9835=46...(12) H ASN 85 - QG2 THR 83 far 0 65 0 - 4.5-5.0 HE ARG 90 - QG2 THR 83 far 0 63 0 - 5.9-10.6 Violated in 1 structures by 0.00 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 3.5-4.0 2520/2.8=79...(19) HG12 ILE 80 - HA ARG 84 far 0 73 0 - 7.8-9.1 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 2 assignments used, quality = 0.00: QG2 VAL 20 - HA ARG 84 far 0 100 0 - 9.5-31.6 QG1 VAL 20 - HA ARG 84 far 0 83 0 - 9.8-33.9 Violated in 20 structures by 12.93 A. Peak 9788 from aliabs.peaks (1.66, 2.69, 37.45 ppm; 4.84 A): 1 out of 7 assignments used, quality = 0.94: QB ALA 88 + HB2 ASN 85 OK 94 99 95 100 4.3-5.5 9853=99, 2750/3.0=90...(11) HG2 ARG 84 - HB2 ASN 85 far 12 83 15 - 3.7-8.1 HG3 ARG 84 - HB2 ASN 85 far 4 89 5 - 5.4-8.1 HD3 LYS 86 - HB2 ASN 85 far 0 100 0 - 7.0-8.6 HD2 LYS 86 - HB2 ASN 85 far 0 100 0 - 7.3-9.2 HG LEU 43 - HB2 ASN 85 far 0 93 0 - 9.2-11.0 HD2 LYS 39 - HB2 ASN 85 far 0 78 0 - 9.6-12.1 Violated in 3 structures by 0.07 A. Peak 9789 from aliabs.peaks (2.07, 2.69, 37.45 ppm; 5.12 A increased from 4.82 A): 1 out of 5 assignments used, quality = 0.77: HB3 GLN 82 + HB2 ASN 85 OK 77 81 95 100 4.5-6.7 9798/3.5=77, 9805/3.5=66...(17) HG3 PRO 81 - HB2 ASN 85 poor 17 85 20 - 4.9-7.9 HB2 PRO 81 - HB2 ASN 85 far 0 83 0 - 6.3-9.2 HG3 GLN 134 - HB2 ASN 85 far 0 99 0 - 7.5-10.3 HG3 GLU 91 - HB2 ASN 85 far 0 76 0 - 8.1-10.3 Violated in 3 structures by 0.08 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 1.7-3.4 11743/1.8=88, 10535=62...(20) QG2 VAL 132 + HB2 ASN 85 OK 84 99 85 100 4.2-6.0 ~11743=60, ~9794=52...(22) HG2 LYS 39 - HB2 ASN 85 far 0 100 0 - 8.0-10.8 HG3 LYS 39 - HB2 ASN 85 far 0 63 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 9791 from aliabs.peaks (0.81, 2.69, 37.45 ppm; 4.06 A): 1 out of 4 assignments used, quality = 1.00: QG2 ILE 80 + HB2 ASN 85 OK 100 100 100 100 2.6-3.9 11237=99, 11236/1.8=91...(21) HG13 ILE 80 - HB2 ASN 85 far 5 100 5 - 4.5-5.5 QG1 VAL 133 - HB2 ASN 85 far 0 68 0 - 5.4-6.8 QG2 ILE 129 - HB2 ASN 85 far 0 97 0 - 5.9-8.3 Violated in 0 structures by 0.00 A. Peak 9793 from aliabs.peaks (0.81, 2.82, 37.45 ppm; 4.06 A): 2 out of 15 assignments used, quality = 0.99: QG2 ILE 80 + HB3 ASN 85 OK 99 99 100 100 1.9-3.6 11236=95, 11237/1.8=81...(17) HG13 ILE 80 + HB3 ASN 85 OK 35 100 35 100 3.7-5.1 3.2/11236=66...(15) QD1 LEU 53 - HB2 ASN 120 far 0 63 0 - 6.1-7.4 QG2 ILE 129 - HB3 ASN 85 far 0 89 0 - 6.1-7.5 QD2 LEU 119 - HB3 ASN 120 far 0 50 0 - 6.2-6.6 QD1 LEU 53 - HB3 ASN 120 far 0 56 0 - 6.3-7.2 QD2 LEU 122 - HB3 ASN 120 far 0 45 0 - 6.4-8.0 QD1 LEU 122 - HB2 ASN 120 far 0 73 0 - 6.9-8.8 QD2 LEU 119 - HB2 ASN 120 far 0 57 0 - 6.9-7.6 QD2 LEU 122 - HB2 ASN 120 far 0 52 0 - 6.9-8.0 QD1 LEU 122 - HB3 ASN 120 far 0 65 0 - 6.9-8.8 QD1 LEU 103 - HB3 ASN 120 far 0 37 0 - 7.0-7.7 QD1 LEU 103 - HB2 ASN 120 far 0 42 0 - 8.1-8.8 QD2 LEU 49 - HB2 ASN 120 far 0 68 0 - 8.8-9.2 QD2 LEU 49 - HB3 ASN 120 far 0 60 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 9794 from aliabs.peaks (1.14, 2.82, 37.45 ppm; 4.58 A): 1 out of 8 assignments used, quality = 0.99: QG1 VAL 132 + HB3 ASN 85 OK 99 99 100 100 1.9-3.2 11743=98, 10545/3.6=62...(22) QG2 VAL 132 - HB3 ASN 85 far 15 100 15 - 4.4-5.8 QG2 THR 115 - HB3 ASN 120 far 0 63 0 - 7.8-8.2 HG2 LYS 39 - HB3 ASN 85 far 0 100 0 - 7.9-11.2 HG3 LYS 39 - HB3 ASN 85 far 0 68 0 - 8.3-9.6 QG2 THR 115 - HB2 ASN 120 far 0 70 0 - 9.0-9.6 HB3 LEU 62 - HB3 ASN 120 far 0 62 0 - 9.4-10.8 HB3 LEU 62 - HB2 ASN 120 far 0 70 0 - 9.8-11.7 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 2.0-2.4 11193=94, 9663/3.0=63...(24) Violated in 0 structures by 0.00 A. Peak 9819 from aliabs.peaks (0.81, 3.89, 60.61 ppm; 3.93 A): 1 out of 3 assignments used, quality = 0.99: QG2 ILE 80 + HA LYS 86 OK 99 99 100 100 2.5-3.3 11240/3.0=64...(29) HG13 ILE 80 - HA LYS 86 far 0 100 0 - 4.6-5.0 QG2 ILE 129 - HA LYS 86 far 0 90 0 - 6.0-6.7 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 1.9-2.2 9727=100, 9649/11193=60...(38) QG2 VAL 93 - HA LYS 86 far 0 76 0 - 6.1-6.7 Violated in 0 structures by 0.00 A. Peak 9821 from aliabs.peaks (0.81, 1.79, 32.49 ppm; 4.34 A increased from 4.09 A): 1 out of 6 assignments used, quality = 0.97: QG2 ILE 80 + HB2 LYS 86 OK 97 97 100 100 2.1-4.4 11240/1.8=90...(40) HG13 ILE 80 - HB2 LYS 86 far 0 99 0 - 5.2-7.3 QG2 ILE 80 - HB3 LYS 19 far 0 76 0 - 6.7-30.4 QD1 LEU 70 - HB3 LYS 19 far 0 79 0 - 8.0-30.7 QG2 ILE 129 - HB2 LYS 86 far 0 85 0 - 8.1-8.8 HG13 ILE 80 - HB3 LYS 19 far 0 79 0 - 9.7-35.8 Violated in 2 structures by 0.00 A. Peak 9822 from aliabs.peaks (0.27, 1.79, 32.49 ppm; 4.85 A): 1 out of 4 assignments used, quality = 1.00: QD1 ILE 80 + HB2 LYS 86 OK 100 100 100 100 3.1-4.4 9721/1.8=88, 9727/3.0=87...(38) QG2 VAL 93 - HB2 LYS 86 far 0 76 0 - 7.7-8.5 QD1 ILE 80 - HB3 LYS 19 far 0 82 0 - 8.6-30.7 QG2 VAL 93 - HB3 LYS 19 far 0 55 0 - 9.5-32.5 Violated in 0 structures by 0.00 A. Peak 9823 from aliabs.peaks (1.19, 1.96, 32.49 ppm; 4.23 A): 1 out of 6 assignments used, quality = 1.00: QG2 VAL 77 + HB3 LYS 86 OK 100 100 100 100 3.7-4.2 9663/1.8=90...(28) HG12 ILE 80 - HB3 LYS 86 far 0 76 0 - 4.9-6.3 HG12 ILE 80 - HB3 PRO 81 far 0 71 0 - 5.8-6.7 HG3 LYS 39 - HB3 PRO 81 far 0 61 0 - 7.5-9.8 QG2 VAL 77 - HB3 PRO 81 far 0 98 0 - 8.9-9.5 QG2 THR 18 - HB3 LYS 86 far 0 76 0 - 9.4-31.0 Violated in 0 structures by 0.00 A. Peak 9824 from aliabs.peaks (1.17, 1.79, 32.49 ppm; 3.80 A): 1 out of 10 assignments used, quality = 0.87: QG2 VAL 77 + HB2 LYS 86 OK 87 87 100 100 3.0-3.6 9818/3.0=52...(28) QG2 THR 25 - HB3 LYS 19 far 4 77 5 - 2.5-14.3 QG2 THR 18 - HB3 LYS 19 far 0 81 0 - 4.5-4.8 HG12 ILE 32 - HB3 LYS 31 far 0 51 0 - 5.7-7.4 QG2 VAL 77 - HB3 LYS 19 far 0 65 0 - 6.1-29.6 QG2 THR 25 - HB3 LYS 31 far 0 57 0 - 6.3-13.2 QG2 THR 18 - HB3 LYS 31 far 0 60 0 - 7.6-22.8 QG2 VAL 132 - HB2 LYS 86 far 0 63 0 - 7.7-8.2 QG2 THR 18 - HB2 LYS 86 far 0 100 0 - 9.0-30.4 HG12 ILE 32 - HB3 LYS 19 far 0 71 0 - 9.7-21.0 Violated in 0 structures by 0.00 A. Peak 9825 from aliabs.peaks (0.27, 1.96, 32.49 ppm; 4.89 A): 1 out of 4 assignments used, quality = 0.99: QD1 ILE 80 + HB3 LYS 86 OK 99 99 100 100 3.7-4.4 9721=98, 9727/3.0=86...(35) QD1 ILE 80 - HB3 PRO 81 far 0 96 0 - 6.8-7.5 QG2 VAL 93 - HB3 LYS 95 far 0 29 0 - 7.0-7.7 QG2 VAL 93 - HB3 LYS 86 far 0 90 0 - 8.4-9.0 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 2.3-3.8 9720=86, 11225/1.8=84...(38) QG2 VAL 93 - HG2 LYS 86 far 0 99 0 - 6.9-7.5 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 2 assignments used, quality = 1.00: QD1 ILE 80 + HG3 LYS 86 OK 100 100 100 100 2.2-4.5 9720/1.8=94, 11225=83...(35) QG2 VAL 93 - HG3 LYS 86 far 0 83 0 - 6.8-8.9 Violated in 0 structures by 0.00 A. Peak 9828 from aliabs.peaks (0.29, 1.65, 28.97 ppm; 5.44 A): 0 out of 6 assignments used, quality = 0.00: QG2 VAL 93 - HD3 LYS 95 far 0 97 0 - 6.1-8.3 QG2 VAL 93 - HD2 LYS 95 far 0 99 0 - 6.4-8.5 QG2 VAL 93 - HD3 LYS 19 far 0 69 0 - 8.2-34.0 QD1 ILE 80 - HD3 LYS 19 far 0 34 0 - 8.7-32.7 QG2 VAL 93 - HD2 LYS 19 far 0 72 0 - 9.1-34.2 QD1 ILE 80 - HD2 LYS 19 far 0 35 0 - 9.8-32.8 Violated in 20 structures by 0.99 A. Peak 9833 from aliabs.peaks (1.93, 3.23, 38.11 ppm; 5.06 A increased from 4.76 A): 1 out of 8 assignments used, quality = 0.78: HB3 LYS 86 + HB2 PHE 87 OK 78 78 100 100 3.8-5.1 9760/9835=63...(16) HB2 ARG 90 - HB3 PHE 87 poor 14 72 20 - 5.3-6.2 HB3 LYS 86 - HB3 PHE 87 far 11 72 15 - 5.2-6.5 HB2 ARG 90 - HB2 PHE 87 far 0 78 0 - 5.8-6.5 HB3 ARG 90 - HB3 PHE 87 far 0 85 0 - 6.4-7.9 HB2 MET 11 - HB3 PHE 87 far 0 83 0 - 6.6-45.4 HB3 ARG 90 - HB2 PHE 87 far 0 90 0 - 7.2-8.3 HB2 MET 11 - HB2 PHE 87 far 0 89 0 - 7.7-46.1 Violated in 1 structures by 0.00 A. Peak 9834 from aliabs.peaks (1.65, 3.23, 38.11 ppm; 4.99 A increased from 4.44 A): 2 out of 10 assignments used, quality = 0.99: QB ALA 88 + HB2 PHE 87 OK 93 93 100 100 4.5-5.1 7185/4.5=71, 9836/2.5=65...(21) QB ALA 88 + HB3 PHE 87 OK 88 88 100 100 3.6-5.0 7185/4.5=71, 9836/2.5=65...(23) HG2 ARG 84 - HB2 PHE 87 far 0 96 0 - 5.6-7.5 HD3 LYS 86 - HB2 PHE 87 far 0 100 0 - 6.0-6.9 HG2 ARG 84 - HB3 PHE 87 far 0 90 0 - 6.5-9.0 HG3 ARG 84 - HB2 PHE 87 far 0 98 0 - 6.9-8.1 HD2 LYS 86 - HB2 PHE 87 far 0 99 0 - 7.1-8.2 HD3 LYS 86 - HB3 PHE 87 far 0 96 0 - 7.3-8.3 HG3 ARG 84 - HB3 PHE 87 far 0 94 0 - 7.6-9.4 HD2 LYS 86 - HB3 PHE 87 far 0 95 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 9835 from aliabs.peaks (1.23, 3.23, 38.11 ppm; 4.68 A): 1 out of 4 assignments used, quality = 1.00: QG2 THR 83 + HB2 PHE 87 OK 100 100 100 100 3.8-4.3 9776/2.5=89...(11) QG2 THR 83 - HB3 PHE 87 far 0 97 0 - 5.3-5.8 HG12 ILE 80 - HB2 PHE 87 far 0 83 0 - 8.2-9.6 HG12 ILE 80 - HB3 PHE 87 far 0 77 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 9836 from aliabs.peaks (1.65, 7.32, 131.40 ppm; 5.06 A): 1 out of 7 assignments used, quality = 0.93: QB ALA 88 + QD PHE 87 OK 93 93 100 100 3.3-5.0 3.0/7181=71, 2.1/9849=66...(21) HD3 LYS 86 - QD PHE 87 far 10 100 10 - 5.5-7.2 HG2 ARG 84 - QD PHE 87 poor 8 96 25 32 4.5-7.6 3.9/5522=26, ~2550=3, ~2541=2 HG3 ARG 84 - QD PHE 87 far 0 98 0 - 5.7-8.4 HD2 LYS 86 - QD PHE 87 far 0 99 0 - 6.7-8.3 HD2 LYS 95 - QD PHE 87 far 0 100 0 - 8.9-10.9 HD3 LYS 95 - QD PHE 87 far 0 97 0 - 9.1-11.3 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 = 1.00: QG2 THR 83 + QD PHE 87 OK 100 100 100 100 3.3-3.9 9776=98, 9835/2.5=54...(12) HG12 ILE 80 - QD PHE 87 far 0 90 0 - 8.4-10.2 Violated in 0 structures by 0.00 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: QD2 LEU 22 - QD PHE 87 far 0 83 0 - 9.2-24.0 Violated in 20 structures by 11.40 A. Peak 9839 from aliabs.peaks (1.96, 7.32, 131.40 ppm; 5.49 A): 1 out of 2 assignments used, quality = 1.00: HB3 LYS 86 + QD PHE 87 OK 100 100 100 100 4.5-5.5 7157/4.2=79...(10) HB3 ARG 90 - QD PHE 87 far 0 99 0 - 6.3-7.3 Violated in 1 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 0 100 0 - 7.9-9.5 Violated in 20 structures by 2.77 A. Peak 9841 from aliabs.peaks (1.64, 4.27, 61.07 ppm; 5.80 A): 2 out of 23 assignments used, quality = 0.99: HD3 LYS 86 + HA PHE 87 OK 93 99 95 99 5.4-6.5 3.5/11288=52, ~7158=46...(11) QB ALA 88 + HA PHE 87 OK 87 87 100 100 5.0-5.0 7185/3.6=86, 9836/3.7=70...(18) HD3 LYS 26 - HA THR 25 poor 18 22 80 - 5.2-6.8 HD2 LYS 26 - HA THR 25 poor 16 24 65 - 4.9-6.7 HD2 LYS 86 - HA PHE 87 far 14 97 15 - 6.0-7.5 HD3 LYS 24 - HA THR 25 poor 5 27 20 - 5.8-7.0 HD3 LYS 19 - HA SER 74 far 2 44 5 - 4.6-35.1 HD2 LYS 19 - HA SER 74 far 2 43 5 - 6.2-35.4 HD2 LYS 24 - HA THR 25 far 0 23 0 - 6.5-8.0 HD2 LYS 86 - HA SER 74 far 0 40 0 - 7.4-8.8 HD3 LYS 24 - HA SER 74 far 0 42 0 - 7.6-23.3 HG2 ARG 84 - HA PHE 87 far 0 99 0 - 8.1-9.6 HB2 LEU 69 - HA SER 74 far 0 43 0 - 8.4-9.2 HD2 LYS 24 - HA SER 74 far 0 35 0 - 8.4-24.9 HD3 LYS 31 - HA THR 25 far 0 25 0 - 8.7-17.7 HD3 LYS 86 - HA SER 74 far 0 42 0 - 8.9-10.1 HD2 LYS 31 - HA THR 25 far 0 27 0 - 9.2-17.6 HG3 ARG 84 - HA PHE 87 far 0 100 0 - 9.3-10.2 HG3 ARG 23 - HA SER 74 far 0 25 0 - 9.4-25.0 HD2 LYS 19 - HA THR 25 far 0 28 0 - 9.6-17.8 HD3 LYS 95 - HA PHE 87 far 0 93 0 - 9.7-12.5 HD3 LYS 19 - HA PHE 87 far 0 100 0 - 9.9-41.0 HD2 LYS 19 - HA PHE 87 far 0 100 0 - 10.0-40.9 Violated in 0 structures by 0.00 A. Peak 9842 from aliabs.peaks (0.86, 4.27, 61.07 ppm; 6.66 A increased from 5.33 A): 1 out of 7 assignments used, quality = 0.41: QD2 LEU 70 + HA SER 74 OK 41 44 100 92 5.9-6.9 9485/11929=64...(7) QD2 LEU 22 - HA THR 25 poor 6 23 25 - 5.2-10.2 QG2 ILE 32 - HA THR 25 poor 4 22 20 - 3.7-9.1 QD2 LEU 98 - HA SER 74 far 0 25 0 - 9.2-11.8 QG2 ILE 32 - HA SER 74 far 0 33 0 - 9.5-11.8 QD2 LEU 69 - HA SER 74 far 0 41 0 - 9.6-10.0 QG1 VAL 133 - HA SER 74 far 0 33 0 - 9.8-10.6 Violated in 3 structures by 0.03 A. Peak 9847 from aliabs.peaks (7.29, 1.66, 18.14 ppm; 4.88 A): 3 out of 5 assignments used, quality = 1.00: H ASN 85 + QB ALA 88 OK 99 99 100 100 4.6-5.5 2.9/2750=93, 3.6/9853=63...(14) QD PHE 87 + QB ALA 88 OK 68 68 100 100 3.3-5.0 7181/7185=47, 9836=41...(19) QE PHE 87 + QB ALA 88 OK 22 89 25 97 2.5-6.8 2.2/9836=59, ~9849=45...(11) HD2 HIS 10 - QB ALA 88 far 0 60 0 - 8.1-42.3 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 2.8-4.6 7181/2.9=83, 9836/2.1=81...(20) HE ARG 90 - HA ALA 88 far 0 76 0 - 6.7-9.9 Violated in 0 structures by 0.00 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 4.2-4.4 4.7=100 HB3 CYS 73 - QB ALA 88 far 0 81 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 9853 from aliabs.peaks (2.69, 1.66, 18.14 ppm; 4.64 A increased from 4.36 A): 1 out of 1 assignment used, quality = 0.90: HB2 ASN 85 + QB ALA 88 OK 90 100 90 100 4.3-5.5 3.0/2750=88, 9788=87...(11) Violated in 3 structures by 0.10 A. Peak 9854 from aliabs.peaks (2.22, 1.66, 18.14 ppm; 4.64 A): 1 out of 4 assignments used, quality = 0.97: HG2 GLU 91 + QB ALA 88 OK 97 97 100 100 3.1-4.9 9916/2.1=80, 1.8/9910=75...(23) HB3 GLU 128 - QB ALA 88 far 0 97 0 - 5.6-6.7 HB2 GLN 82 - QB ALA 88 far 0 93 0 - 6.4-7.6 HB3 LEU 96 - QB ALA 88 far 0 81 0 - 9.3-10.2 Violated in 2 structures by 0.02 A. Peak 9855 from aliabs.peaks (2.32, 1.66, 18.14 ppm; 5.25 A increased from 4.67 A): 1 out of 4 assignments used, quality = 0.30: HG2 GLU 128 + QB ALA 88 OK 30 81 100 38 4.3-5.3 11399/11318=23...(3) HB VAL 77 - QB ALA 88 far 0 83 0 - 8.1-8.6 HB3 GLN 134 - QB ALA 88 far 0 98 0 - 8.7-10.9 HG2 GLN 127 - QB ALA 88 far 0 76 0 - 9.0-12.3 Violated in 1 structures by 0.00 A. Peak 9856 from aliabs.peaks (2.86, 1.66, 18.14 ppm; 4.68 A): 0 out of 3 assignments used, quality = 0.00: HB3 ASP 131 - QB ALA 88 far 0 100 0 - 5.5-6.3 HE3 LYS 95 - QB ALA 88 far 0 99 0 - 6.4-7.4 HE2 LYS 95 - QB ALA 88 far 0 98 0 - 7.2-8.6 Violated in 20 structures by 0.85 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 4.1-4.6 3.2/10533=61...(14) Violated in 0 structures by 0.00 A. Peak 9858 from aliabs.peaks (3.84, 1.66, 18.14 ppm; 5.46 A): 0 out of 3 assignments used, quality = 0.00: HB2 SER 9 - QB ALA 88 far 0 63 0 - 6.3-43.5 HD2 PRO 81 - QB ALA 88 far 0 96 0 - 7.8-9.6 HB2 SER 130 - QB ALA 88 far 0 81 0 - 9.3-10.6 Violated in 20 structures by 2.56 A. Peak 9859 from aliabs.peaks (3.21, 4.20, 54.66 ppm; 5.17 A): 2 out of 7 assignments used, quality = 0.94: HB2 PHE 87 + HA ALA 88 OK 83 83 100 100 5.1-5.5 2.5/9849=66, ~9836=49...(20) HB3 PHE 87 + HA ALA 88 OK 65 65 100 100 3.8-4.9 2.5/9849=66, ~9836=49...(22) HD2 ARG 84 - HA ALA 88 far 0 85 0 - 6.6-11.8 HD3 ARG 135 - HA ALA 88 far 0 65 0 - 7.2-9.3 HD3 ARG 84 - HA ALA 88 far 0 85 0 - 7.3-11.7 HB3 HIS 8 - HA ALA 88 far 0 100 0 - 9.9-52.5 HB3 CYS 125 - HA ALA 88 far 0 99 0 - 9.9-12.3 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 3.9-4.4 10533/2.1=64...(21) QG2 VAL 132 + HA ALA 88 OK 92 92 100 100 4.0-4.7 9861/2.1=48, ~10533=45...(21) Violated in 0 structures by 0.00 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 96 1.8-2.1 10533=55, 2.1/10533=22...(25) QG2 VAL 132 + QB ALA 88 OK 94 99 100 95 1.9-2.8 2.1/10533=37, 10533=32...(27) Violated in 0 structures by 0.00 A. Peak 9862 from aliabs.peaks (0.81, 1.66, 18.14 ppm; 4.05 A): 0 out of 4 assignments used, quality = 0.00: QG2 ILE 129 - QB ALA 88 far 0 97 0 - 5.3-6.3 QG2 ILE 80 - QB ALA 88 far 0 100 0 - 5.5-6.3 QG1 VAL 133 - QB ALA 88 far 0 71 0 - 7.7-8.1 HG13 ILE 80 - QB ALA 88 far 0 100 0 - 7.7-8.3 Violated in 20 structures by 1.07 A. Peak 9863 from aliabs.peaks (0.29, 1.66, 18.14 ppm; 5.37 A increased from 5.05 A): 1 out of 2 assignments used, quality = 0.56: QD1 ILE 80 + QB ALA 88 OK 56 57 100 98 5.1-5.4 9869/7195=66...(18) QG2 VAL 93 - QB ALA 88 far 5 99 5 - 6.0-6.5 Violated in 2 structures by 0.00 A. Peak 9865 from aliabs.peaks (2.02, 1.66, 18.14 ppm; 4.82 A increased from 3.85 A): 3 out of 11 assignments used, quality = 0.99: HB3 GLU 91 + QB ALA 88 OK 90 95 95 100 5.0-5.4 2868/2.1=81, 3.0/9854=69...(20) HB2 GLU 91 + QB ALA 88 OK 71 71 100 100 3.7-4.6 3.0/9854=69, ~2868=66...(23) HG3 ARG 135 + QB ALA 88 OK 64 95 85 79 4.7-5.5 10526/9857=44...(6) QE MET 11 - QB ALA 88 far 5 99 5 - 3.7-33.9 HG2 ARG 90 - QB ALA 88 far 0 100 0 - 6.4-7.5 HB3 MET 11 - QB ALA 88 far 0 99 0 - 6.4-38.2 HB ILE 129 - QB ALA 88 far 0 89 0 - 7.3-8.5 HG2 PRO 81 - QB ALA 88 far 0 95 0 - 7.9-11.5 HG3 PRO 81 - QB ALA 88 far 0 57 0 - 8.6-11.1 HB2 GLN 134 - QB ALA 88 far 0 100 0 - 8.8-10.6 HB2 GLN 127 - QB ALA 88 far 0 60 0 - 9.5-11.2 Violated in 0 structures by 0.00 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 2.2-3.1 9947/2897=53...(33) QG1 VAL 132 + HA PHE 89 OK 96 96 100 100 2.8-3.4 10539=59, 2.1/11377=48...(32) 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 = 1.00: QD1 ILE 80 + HA PHE 89 OK 100 100 100 100 3.9-4.2 9747/3.1=89, 9869/2.9=77...(26) QG2 VAL 93 + HA PHE 89 OK 83 83 100 100 3.4-4.0 9924/3.1=61...(18) 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 4 assignments used, quality = 1.00: QG2 VAL 132 + HB2 PHE 89 OK 100 100 100 100 3.4-4.2 2.1/10537=55, ~11650=42...(24) QG1 VAL 132 + HB2 PHE 89 OK 97 97 100 100 2.0-2.8 10537=60, 10539/3.0=47...(25) HG3 LYS 39 - HB2 PHE 89 far 0 78 0 - 8.9-10.3 HG2 LYS 39 - HB2 PHE 89 far 0 100 0 - 9.0-12.0 Violated in 0 structures by 0.00 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 1.9-2.3 9747/2.7=85...(27) QG2 VAL 93 + HB2 PHE 89 OK 57 63 100 91 4.7-5.1 9924/2.7=39, 9954/3.0=38...(13) 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 = 0.98: QG1 VAL 132 + HB3 PHE 89 OK 93 93 100 100 3.3-4.2 10537/1.8=55...(27) QG2 VAL 132 + HB3 PHE 89 OK 70 100 70 100 4.4-5.3 ~11650=42, ~11943=42...(25) HG3 LYS 39 - HB3 PHE 89 far 0 85 0 - 10.0-11.6 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 2.2-2.8 9747/2.7=86, 9869/3.5=61...(25) QG2 VAL 93 + HB3 PHE 89 OK 83 85 100 98 4.2-4.7 9924/2.7=61, 9954/3.0=59...(10) 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 3 assignments used, quality = 0.81: HB VAL 77 + QD PHE 89 OK 68 68 100 100 2.0-3.1 2.1/9677=100...(28) HG2 GLU 128 + QD PHE 89 OK 40 65 65 93 6.2-7.4 11319/11394=65...(6) HB3 GLN 134 - QD PHE 89 far 0 92 0 - 8.2-9.5 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 1.8-2.0 2.1/9672=84, 2.1/9674=74...(31) QG2 VAL 132 + QD PHE 89 OK 73 73 100 100 3.3-4.1 2.1/11650=77...(34) HG2 LYS 39 - QD PHE 89 far 0 60 0 - 7.1-9.7 HG3 LYS 39 - QD PHE 89 far 0 100 0 - 7.1-8.1 QB ALA 41 - QD PHE 89 far 0 96 0 - 9.5-9.9 QG2 THR 25 - QD PHE 89 far 0 95 0 - 9.9-18.2 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 2.0-3.4 10554=98, 10552/2.2=94...(20) QG1 VAL 77 + QD PHE 89 OK 97 97 100 100 3.5-4.1 2.1/9677=97, 9674=89...(30) 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 8 assignments used, quality = 1.00: HG13 ILE 80 + QD PHE 89 OK 100 100 100 100 3.9-4.5 2.1/9747=98, ~9749=81...(27) QG2 ILE 80 + QD PHE 89 OK 100 100 100 100 4.6-5.2 3.1/9747=94...(28) QG2 ILE 129 + QD PHE 89 OK 93 93 100 100 2.5-3.1 10457/2.2=90...(34) QG1 VAL 133 + QD PHE 89 OK 60 60 100 100 4.5-5.2 2.1/10554=98, ~10552=88...(14) QD1 LEU 70 - QD PHE 89 far 0 100 0 - 6.9-7.7 QD1 LEU 122 - QD PHE 89 far 0 100 0 - 9.3-11.7 QD2 LEU 122 - QD PHE 89 far 0 73 0 - 9.8-12.2 QD2 LEU 49 - QD PHE 89 far 0 95 0 - 10.0-10.3 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 2.0-2.5 9747=94, 9749/2.2=84...(31) QG2 VAL 93 + QD PHE 89 OK 95 95 100 100 2.4-3.1 9924=91, 11424/2.2=85...(25) 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 3.9-4.1 3.0/9897=96, 4.0/2792=94...(14) H ALA 88 + HA ARG 90 OK 71 73 100 96 7.1-7.3 ~11295=64, 7207/2.9=59...(4) 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 2.6-4.1 7213/2.9=94...(12) Violated in 0 structures by 0.00 A. Peak 9887 from aliabs.peaks (7.34, 1.74, 27.95 ppm; 5.84 A): 1 out of 2 assignments used, quality = 1.00: HE ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.1-3.8 4.0=100 QD PHE 87 - HG3 ARG 90 poor 16 81 20 - 6.1-8.6 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 3.3-5.1 9677/11303=83...(9) Violated in 0 structures by 0.00 A. Peak 9891 from aliabs.peaks (7.34, 3.16, 43.17 ppm; 4.03 A): 2 out of 6 assignments used, quality = 1.00: * HE ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.7-2.9 2.9=100 HE ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.3-2.9 2.9=100 HE ARG 90 - HD3 ARG 23 far 0 93 0 - 7.0-27.6 QD PHE 87 - HD3 ARG 90 far 0 81 0 - 7.1-9.1 QD PHE 87 - HD2 ARG 90 far 0 80 0 - 7.2-8.9 HE ARG 90 - HD2 ARG 23 far 0 94 0 - 7.7-27.7 Violated in 0 structures by 0.00 A. Peak 9897 from aliabs.peaks (1.41, 3.80, 59.97 ppm; 5.07 A): 1 out of 7 assignments used, quality = 0.89: QB ALA 92 + HA ARG 90 OK 89 89 100 100 5.0-5.1 9970/9953=73...(14) HG2 LYS 86 - HA ARG 90 far 0 100 0 - 6.3-7.3 HG3 LYS 95 - HA ARG 90 far 0 65 0 - 6.5-9.4 HG2 LYS 95 - HA ARG 90 far 0 73 0 - 6.7-10.0 HG3 LYS 19 - HA ARG 90 far 0 71 0 - 7.7-38.9 HG LEU 96 - HA ARG 90 far 0 92 0 - 7.8-8.6 QB ALA 16 - HA ARG 90 far 0 81 0 - 8.6-36.3 Violated in 2 structures by 0.00 A. Peak 9898 from aliabs.peaks (1.17, 3.80, 59.97 ppm; 5.31 A): 1 out of 2 assignments used, quality = 0.87: QG2 VAL 77 + HA ARG 90 OK 87 87 100 100 3.3-3.7 2.1/11185=79...(15) QG2 VAL 132 - HA ARG 90 far 0 63 0 - 6.2-6.9 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 4 assignments used, quality = 0.60: QG1 VAL 93 + HA ARG 90 OK 60 60 100 100 3.2-3.5 2.1/9953=81, 2.1/2793=78...(13) QD1 LEU 96 - HA ARG 90 far 0 99 0 - 8.1-8.8 QD1 LEU 122 - HA ARG 90 far 0 65 0 - 9.3-12.1 QD2 LEU 122 - HA ARG 90 far 0 99 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 9900 from aliabs.peaks (0.28, 3.80, 59.97 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HA ARG 90 OK 100 100 100 100 2.6-3.6 9953=100, 2.1/2793=72...(20) QD1 ILE 80 - HA ARG 90 far 0 85 0 - 5.3-5.9 Violated in 0 structures by 0.00 A. Peak 9906 from aliabs.peaks (2.87, 2.09, 35.29 ppm; 5.08 A increased from 4.52 A): 2 out of 3 assignments used, quality = 0.96: HE3 LYS 95 + HG3 GLU 91 OK 89 100 100 89 3.2-5.5 9908/1.8=77...(4) HE2 LYS 95 + HG3 GLU 91 OK 58 100 65 89 4.8-6.6 ~9908=60, ~9908=58...(5) HB3 ASP 131 - HG3 GLU 91 far 0 99 0 - 8.4-11.6 Violated in 2 structures by 0.02 A. Peak 9908 from aliabs.peaks (2.86, 2.21, 35.29 ppm; 5.23 A increased from 4.40 A): 1 out of 3 assignments used, quality = 0.89: HE3 LYS 95 + HG2 GLU 91 OK 89 100 100 89 4.5-5.2 9906/1.8=57...(6) HE2 LYS 95 - HG2 GLU 91 far 0 99 0 - 6.0-6.7 HB3 ASP 131 - HG2 GLU 91 far 0 100 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 9910 from aliabs.peaks (1.64, 2.09, 35.29 ppm; 4.13 A): 1 out of 3 assignments used, quality = 0.87: QB ALA 88 + HG3 GLU 91 OK 87 87 100 100 3.3-4.5 2.1/9915=66, 9854/1.8=51...(22) HD2 LYS 95 - HG3 GLU 91 far 0 98 0 - 4.9-8.2 HD3 LYS 95 - HG3 GLU 91 far 0 93 0 - 5.4-7.1 Violated in 3 structures by 0.04 A. Peak 9911 from aliabs.peaks (1.40, 2.09, 35.29 ppm; 4.67 A): 1 out of 6 assignments used, quality = 0.54: QB ALA 92 + HG3 GLU 91 OK 54 60 90 100 2.7-5.4 9914/1.8=84, 3.0/7255=72...(22) HG2 LYS 95 - HG3 GLU 91 far 0 96 0 - 5.3-8.3 HG3 LYS 95 - HG3 GLU 91 far 0 92 0 - 5.5-9.2 QB ALA 15 - HG3 GLU 91 far 0 85 0 - 7.4-38.4 HG2 LYS 86 - HG3 GLU 91 far 0 95 0 - 8.7-11.2 HB2 LEU 96 - HG3 GLU 91 far 0 83 0 - 9.3-12.3 Violated in 2 structures by 0.08 A. Peak 9912 from aliabs.peaks (0.87, 2.09, 35.29 ppm; 4.36 A): 0 out of 2 assignments used, quality = 0.00: QD2 LEU 98 - HG3 GLU 91 far 0 96 0 - 8.6-10.8 QD2 LEU 70 - HG3 GLU 91 far 0 95 0 - 9.6-11.6 Violated in 20 structures by 4.33 A. Peak 9913 from aliabs.peaks (0.87, 2.21, 35.29 ppm; 3.80 A): 0 out of 1 assignment used, quality = 0.00: QD2 LEU 98 - HG2 GLU 91 far 0 98 0 - 9.6-11.0 Violated in 20 structures by 6.38 A. Peak 9914 from aliabs.peaks (1.40, 2.21, 35.29 ppm; 4.42 A): 1 out of 5 assignments used, quality = 0.64: QB ALA 92 + HG2 GLU 91 OK 64 71 90 100 2.9-5.7 9911/1.8=71, 3.0/7254=67...(21) HG2 LYS 95 - HG2 GLU 91 far 0 90 0 - 6.2-8.8 HG3 LYS 95 - HG2 GLU 91 far 0 85 0 - 6.6-9.2 QB ALA 15 - HG2 GLU 91 far 0 76 0 - 7.3-39.1 HG2 LYS 86 - HG2 GLU 91 far 0 98 0 - 9.0-10.8 Violated in 2 structures by 0.12 A. Peak 9915 from aliabs.peaks (4.22, 2.09, 35.29 ppm; 4.35 A): 1 out of 3 assignments used, quality = 0.89: HA ALA 88 + HG3 GLU 91 OK 89 89 100 100 2.0-3.4 9916/1.8=82, 2.1/9910=78...(15) HA ARG 84 - HG3 GLU 91 far 0 73 0 - 8.3-11.2 HA SER 94 - HG3 GLU 91 far 0 90 0 - 8.4-9.8 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 1.8-3.4 9915/1.8=71, 2.1/9854=57...(16) HA ARG 84 - HG2 GLU 91 far 0 83 0 - 8.4-9.7 HA SER 94 - HG2 GLU 91 far 0 96 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. Peak 9917 from aliabs.peaks (7.30, 2.09, 35.29 ppm; 6.07 A increased from 5.12 A): 2 out of 4 assignments used, quality = 0.91: QD PHE 87 + HG3 GLU 91 OK 89 89 100 100 3.4-6.1 9918/1.8=91...(10) QE PHE 87 + HG3 GLU 91 OK 24 68 35 100 4.9-7.8 ~9918=76, ~11352=74...(8) H ASN 85 - HG3 GLU 91 far 0 89 0 - 9.3-11.5 HZ PHE 89 - HG3 GLU 91 far 0 100 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 9918 from aliabs.peaks (7.31, 2.21, 35.29 ppm; 5.33 A increased from 4.74 A): 1 out of 3 assignments used, quality = 0.99: QD PHE 87 + HG2 GLU 91 OK 99 99 100 100 3.4-5.2 11352=98, 11351/1.8=65...(11) HE ARG 90 - HG2 GLU 91 far 0 60 0 - 6.6-10.6 H ASN 85 - HG2 GLU 91 far 0 68 0 - 9.2-10.2 Violated in 0 structures by 0.00 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 4.2-4.4 9936/2.1=97...(18) Violated in 0 structures by 0.00 A. Peak 9922 from aliabs.peaks (7.80, 0.29, 23.10 ppm; 4.50 A): 1 out of 2 assignments used, quality = 0.93: H ALA 92 + QG2 VAL 93 OK 93 93 100 100 4.0-4.4 9936=90, 3.0/9970=80...(18) H GLY 75 - QG2 VAL 93 far 0 89 0 - 5.7-6.1 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 = 0.77: HZ PHE 89 + QG2 VAL 93 OK 65 65 100 100 3.2-4.1 2.2/11424=76...(17) HE ARG 90 + QG2 VAL 93 OK 34 99 35 97 3.3-6.5 11841/9969=43...(19) QD PHE 87 - QG2 VAL 93 far 0 92 0 - 8.2-9.1 Violated in 0 structures by 0.00 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 2.4-3.1 2.2/11424=78...(25) 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 3 assignments used, quality = 0.97: HB3 CYS 125 + HA ALA 92 OK 97 97 100 100 4.3-6.7 1.8/11395=95, ~11396=88...(17) HB3 HIS 8 - HA ALA 92 far 0 100 0 - 8.6-47.9 HB3 PHE 87 - HA ALA 92 far 0 73 0 - 9.3-10.4 Violated in 2 structures by 0.02 A. Peak 9928 from aliabs.peaks (2.86, 4.05, 54.95 ppm; 4.48 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 95 + HA ALA 92 OK 97 98 100 99 2.1-4.4 3.0/9941=46, 9950/2.1=43...(22) HE2 LYS 95 + HA ALA 92 OK 95 97 100 98 2.1-4.7 3.0/9941=46, 3.0/9941=33...(21) HB3 ASP 131 - HA ALA 92 far 0 100 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 9940 from aliabs.peaks (2.23, 4.05, 54.95 ppm; 5.57 A): 2 out of 5 assignments used, quality = 0.98: HB3 LEU 96 + HA ALA 92 OK 92 92 100 100 5.1-5.8 9975/2894=62...(18) HG2 GLU 91 + HA ALA 92 OK 80 89 90 100 4.1-6.4 7254/2.9=81, 9914/2.1=80...(22) HB3 GLU 128 - HA ALA 92 poor 20 100 20 - 6.0-6.7 HG2 GLU 97 - HA ALA 92 far 0 92 0 - 7.6-8.3 HB3 GLN 127 - HA ALA 92 far 0 100 0 - 9.4-11.0 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 5 assignments used, quality = 0.86: HD3 LYS 95 + HA ALA 92 OK 75 85 95 93 3.1-4.7 5.5/2894=27, 3.0/9928=25...(21) HD2 LYS 95 + HA ALA 92 OK 43 93 50 93 1.8-5.5 5.5/2894=27, 3.0/9928=25...(21) QB ALA 88 - HA ALA 92 far 0 76 0 - 5.7-6.9 HB2 LEU 98 - HA ALA 92 far 0 99 0 - 8.1-8.6 HB2 LEU 69 - HA ALA 92 far 0 97 0 - 9.8-10.6 Violated in 1 structures by 0.00 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 3.9-4.6 10491/2.1=99...(32) QD1 LEU 42 - HA ALA 92 far 0 97 0 - 9.8-10.4 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 5.1-5.4 9970/2.1=100...(28) QD1 ILE 80 - HA ALA 92 far 0 76 0 - 8.9-9.4 Violated in 2 structures by 0.00 A. Peak 9944 from aliabs.peaks (0.66, 1.43, 18.11 ppm; 3.36 A): 1 out of 4 assignments used, quality = 0.97: QD1 ILE 129 + QB ALA 92 OK 97 97 100 100 1.8-2.9 10491=95, 3.0/9946=44...(25) QD1 LEU 42 - QB ALA 92 far 0 63 0 - 7.0-7.4 QD2 LEU 100 - QB ALA 92 far 0 89 0 - 9.1-10.0 QD1 LEU 43 - QB ALA 92 far 0 90 0 - 9.1-10.1 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 3.2-3.6 9970=99, 9967/10491=63...(32) QD1 ILE 80 - QB ALA 92 far 0 85 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 9946 from aliabs.peaks (0.83, 1.43, 18.11 ppm; 3.83 A increased from 3.60 A): 1 out of 8 assignments used, quality = 0.99: QG2 ILE 129 + QB ALA 92 OK 99 99 100 100 2.9-3.9 4163/10491=70...(28) QD1 LEU 122 - QB ALA 92 far 0 68 0 - 6.2-9.0 QD2 LEU 70 - QB ALA 92 far 0 71 0 - 6.4-6.8 QD1 LEU 70 - QB ALA 92 far 0 83 0 - 7.2-7.9 QG2 ILE 80 - QB ALA 92 far 0 89 0 - 8.1-9.1 QG1 VAL 133 - QB ALA 92 far 0 99 0 - 8.2-8.8 QD1 LEU 98 - QB ALA 92 far 0 65 0 - 8.7-9.3 HG13 ILE 80 - QB ALA 92 far 0 83 0 - 9.0-9.8 Violated in 2 structures by 0.01 A. Peak 9947 from aliabs.peaks (1.14, 1.43, 18.11 ppm; 3.77 A increased from 3.55 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 132 + QB ALA 92 OK 100 100 100 100 3.1-3.7 11658=92, 11697/10447=51...(20) QG1 VAL 132 - QB ALA 92 far 0 97 0 - 4.5-5.2 Violated in 0 structures by 0.00 A. Peak 9948 from aliabs.peaks (1.96, 1.43, 18.11 ppm; 4.39 A increased from 3.70 A): 1 out of 4 assignments used, quality = 0.72: HB2 LYS 95 + QB ALA 92 OK 72 73 100 98 4.0-4.4 2896/2.1=28, ~2895=27...(24) HB3 LYS 95 - QB ALA 92 far 4 81 5 - 5.0-5.7 HB3 ARG 90 - QB ALA 92 far 0 97 0 - 6.5-6.6 HB3 LYS 86 - QB ALA 92 far 0 100 0 - 9.4-10.1 Violated in 1 structures by 0.00 A. Peak 9949 from aliabs.peaks (2.40, 1.43, 18.11 ppm; 4.20 A): 1 out of 2 assignments used, quality = 0.85: HG3 GLU 128 + QB ALA 92 OK 85 85 100 100 1.9-3.1 1.8/10446=90, 10447=77...(15) HG3 GLU 97 - QB ALA 92 far 0 100 0 - 7.0-7.6 Violated in 0 structures by 0.00 A. Peak 9950 from aliabs.peaks (2.86, 1.43, 18.11 ppm; 4.62 A): 2 out of 3 assignments used, quality = 0.95: HE3 LYS 95 + QB ALA 92 OK 88 98 90 99 3.6-5.4 3044/2.1=47, 5.3/9948=42...(18) HE2 LYS 95 + QB ALA 92 OK 57 97 60 99 3.5-5.9 5.3/9948=42, 9928/2.1=38...(17) HB3 ASP 131 - QB ALA 92 far 0 100 0 - 5.8-6.9 Violated in 2 structures by 0.03 A. Peak 9951 from aliabs.peaks (3.24, 1.43, 18.11 ppm; 4.45 A): 1 out of 7 assignments used, quality = 0.90: HA VAL 93 + QB ALA 92 OK 90 90 100 100 3.6-3.9 2.9/7267=78, 3.2/9970=74...(25) HB3 HIS 10 - QB ALA 92 far 5 99 5 - 3.9-34.7 HB3 HIS 8 - QB ALA 92 far 0 65 0 - 7.1-40.5 HB3 PHE 87 - QB ALA 92 far 0 100 0 - 7.2-8.5 HD3 ARG 135 - QB ALA 92 far 0 100 0 - 7.3-9.9 HB2 PHE 87 - QB ALA 92 far 0 96 0 - 8.3-9.1 HB2 HIS 5 - QB ALA 92 far 0 99 0 - 9.9-48.8 Violated in 0 structures by 0.00 A. Peak 9952 from aliabs.peaks (3.44, 1.43, 18.11 ppm; 3.89 A): 1 out of 3 assignments used, quality = 0.96: HA ILE 129 + QB ALA 92 OK 96 96 100 100 3.3-3.8 10478=69, 3.2/9946=57...(18) HA VAL 126 - QB ALA 92 far 0 99 0 - 4.8-5.6 HA VAL 77 - QB ALA 92 far 0 99 0 - 8.5-9.0 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 2.6-3.6 9900=84, 2793/2.1=65...(20) HA SER 130 - QG2 VAL 93 far 0 68 0 - 6.3-6.9 HB2 SER 130 - QG2 VAL 93 far 0 81 0 - 6.9-8.4 HB3 SER 130 - QG2 VAL 93 far 0 65 0 - 7.2-8.1 HA LEU 43 - QG2 VAL 93 far 0 78 0 - 7.8-8.3 HB2 SER 9 - QG2 VAL 93 far 0 93 0 - 8.6-36.8 HB3 SER 9 - QG2 VAL 93 far 0 100 0 - 8.9-35.3 HB2 SER 50 - QG2 VAL 93 far 0 68 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 9954 from aliabs.peaks (4.06, 0.29, 23.10 ppm; 4.07 A): 1 out of 7 assignments used, quality = 0.59: HA PHE 89 + QG2 VAL 93 OK 59 60 100 98 3.4-4.0 3.1/9924=57...(15) HA ALA 92 - QG2 VAL 93 far 0 100 0 - 5.1-5.4 HB2 SER 74 - QG2 VAL 93 far 0 100 0 - 5.3-6.5 HB3 SER 74 - QG2 VAL 93 far 0 100 0 - 5.6-6.8 HA LEU 96 - QG2 VAL 93 far 0 100 0 - 6.1-6.4 HA LEU 122 - QG2 VAL 93 far 0 89 0 - 7.3-7.8 HD3 PRO 81 - QG2 VAL 93 far 0 83 0 - 9.7-10.6 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 4 assignments used, quality = 0.85: HA CYS 73 + QG2 VAL 93 OK 85 85 100 100 2.9-3.7 3.0/9959=71...(27) HA LEU 69 - QG2 VAL 93 far 0 97 0 - 5.5-6.0 HA CYS 125 - QG2 VAL 93 far 0 100 0 - 5.9-6.5 HA ASP 78 - QG2 VAL 93 far 0 68 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 9956 from aliabs.peaks (4.25, 0.29, 23.10 ppm; 5.41 A increased from 4.55 A): 1 out of 5 assignments used, quality = 0.97: HA SER 94 + QG2 VAL 93 OK 97 97 100 100 5.3-5.4 9963/2.1=95, 2.9/2923=91...(20) HA PHE 87 - QG2 VAL 93 far 0 81 0 - 7.3-8.0 HA ALA 16 - QG2 VAL 93 far 0 65 0 - 8.1-35.7 HA ALA 15 - QG2 VAL 93 far 0 57 0 - 8.2-35.8 HA SER 124 - QG2 VAL 93 far 0 99 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 9957 from aliabs.peaks (3.43, 0.29, 23.10 ppm; 4.46 A): 2 out of 3 assignments used, quality = 0.99: HA VAL 126 + QG2 VAL 93 OK 97 100 100 98 4.5-5.0 11639/10487=71...(14) HA ILE 129 + QG2 VAL 93 OK 73 73 100 100 3.6-4.3 4.2/9967=66...(20) HA VAL 77 - QG2 VAL 93 far 0 83 0 - 5.5-5.9 Violated in 0 structures by 0.00 A. Peak 9958 from aliabs.peaks (2.92, 0.29, 23.10 ppm; 6.80 A): 0 out of 4 assignments used, quality = 0.00: HE3 LYS 86 - QG2 VAL 93 far 0 60 0 - 7.8-9.3 HB2 CYS 45 - QG2 VAL 93 far 0 98 0 - 7.9-9.2 HE2 LYS 39 - QG2 VAL 93 far 0 100 0 - 9.8-11.0 HD2 ARG 135 - QG2 VAL 93 far 0 100 0 - 9.9-11.4 Violated in 20 structures by 0.27 A. Peak 9959 from aliabs.peaks (2.74, 0.29, 23.10 ppm; 3.64 A): 1 out of 6 assignments used, quality = 0.99: HB2 CYS 73 + QG2 VAL 93 OK 99 100 100 100 2.7-3.3 9961/2.1=60, 3.0/9955=46...(22) HB2 CYS 125 - QG2 VAL 93 far 0 95 0 - 4.8-6.8 HB2 TYR 76 - QG2 VAL 93 far 0 83 0 - 5.2-6.5 HB3 ASN 13 - QG2 VAL 93 far 0 71 0 - 7.8-32.5 HB2 ASP 131 - QG2 VAL 93 far 0 73 0 - 8.3-8.9 HB3 ASP 78 - QG2 VAL 93 far 0 83 0 - 8.7-9.2 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 4 assignments used, quality = 0.00: HE3 LYS 86 - QG1 VAL 93 far 0 60 0 - 8.1-10.4 HB2 CYS 45 - QG1 VAL 93 far 0 98 0 - 8.8-10.0 HE3 LYS 24 - QG1 VAL 93 far 0 81 0 - 9.7-23.7 HE2 LYS 24 - QG1 VAL 93 far 0 65 0 - 9.9-25.0 Violated in 20 structures by 2.06 A. Peak 9961 from aliabs.peaks (2.74, 0.75, 21.32 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: HB2 CYS 73 + QG1 VAL 93 OK 100 100 100 100 2.3-2.8 9959/2.1=77...(24) HB2 CYS 125 - QG1 VAL 93 far 0 99 0 - 5.5-7.3 HB2 TYR 76 - QG1 VAL 93 far 0 68 0 - 6.3-7.3 HB3 ASP 78 - QG1 VAL 93 far 0 93 0 - 8.3-9.3 Violated in 0 structures by 0.00 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 3.2-3.5 9953/2.1=74, 2793/2.1=71...(14) HB2 SER 9 - QG1 VAL 93 far 0 97 0 - 7.0-34.8 HB3 SER 9 - QG1 VAL 93 far 0 100 0 - 7.2-33.3 HA SER 130 - QG1 VAL 93 far 0 60 0 - 8.7-9.3 HB2 SER 130 - QG1 VAL 93 far 0 87 0 - 9.1-10.8 HA LEU 43 - QG1 VAL 93 far 0 71 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 9963 from aliabs.peaks (4.24, 0.75, 21.32 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: HA SER 94 + QG1 VAL 93 OK 100 100 100 100 2.8-3.0 2.9/7283=68...(24) HA PHE 87 - QG1 VAL 93 far 0 60 0 - 8.1-8.8 HA SER 99 - QG1 VAL 93 far 0 89 0 - 9.4-9.9 HA ALA 34 - QG1 VAL 93 far 0 65 0 - 9.8-11.3 Violated in 0 structures by 0.00 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 1.7-2.2 10461=97, 9967/2919=69...(36) QD1 LEU 42 - HA VAL 93 far 0 99 0 - 6.5-7.1 Violated in 0 structures by 0.00 A. Peak 9967 from aliabs.peaks (0.64, 0.29, 23.10 ppm; 3.16 A): 1 out of 2 assignments used, quality = 0.96: QD1 ILE 129 + QG2 VAL 93 OK 96 96 100 100 1.7-1.9 10487=82, 2.1/11408=43...(40) QD1 LEU 42 - QG2 VAL 93 far 0 100 0 - 3.8-4.3 Violated in 0 structures by 0.00 A. Peak 9968 from aliabs.peaks (1.03, 0.29, 23.10 ppm; 4.29 A): 1 out of 3 assignments used, quality = 0.82: QD1 LEU 69 + QG2 VAL 93 OK 82 83 100 99 3.8-4.1 3.2/11407=53...(20) QG1 VAL 77 - QG2 VAL 93 poor 20 65 30 - 4.7-5.1 QG2 VAL 133 - QG2 VAL 93 far 5 93 5 - 4.8-5.3 Violated in 0 structures by 0.00 A. Peak 9969 from aliabs.peaks (1.18, 0.29, 23.10 ppm; 4.28 A): 1 out of 4 assignments used, quality = 0.99: QG2 VAL 77 + QG2 VAL 93 OK 99 100 100 100 3.7-4.4 9676/11424=59...(21) QG2 THR 25 - QG2 VAL 93 far 0 100 0 - 9.0-18.2 QB ALA 41 - QG2 VAL 93 far 0 100 0 - 9.1-9.4 HG3 LYS 39 - QG2 VAL 93 far 0 83 0 - 9.4-10.2 Violated in 1 structures by 0.00 A. Peak 9970 from aliabs.peaks (1.42, 0.29, 23.10 ppm; 3.60 A): 1 out of 5 assignments used, quality = 1.00: QB ALA 92 + QG2 VAL 93 OK 100 100 100 100 3.2-3.6 9945=78, 10491/10487=57...(32) HG LEU 96 - QG2 VAL 93 far 0 65 0 - 4.4-4.9 HG2 LYS 86 - QG2 VAL 93 far 0 97 0 - 6.9-7.5 HG3 LYS 19 - QG2 VAL 93 far 0 95 0 - 8.2-33.0 QB ALA 34 - QG2 VAL 93 far 0 97 0 - 8.6-10.2 Violated in 0 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 = 1.00: HB3 LEU 96 + QG2 VAL 93 OK 100 100 100 100 3.6-4.1 10492/10487=66...(36) HG2 GLU 97 + QG2 VAL 93 OK 40 100 40 100 4.6-5.2 ~11849=57, ~9972=55...(19) HB3 GLU 97 - QG2 VAL 93 far 0 76 0 - 6.5-7.4 HB3 GLU 128 - QG2 VAL 93 far 0 97 0 - 7.1-7.8 HG2 GLN 68 - QG2 VAL 93 far 0 65 0 - 8.1-8.8 HB3 GLN 127 - QG2 VAL 93 far 0 83 0 - 8.8-9.4 HB2 GLN 68 - QG2 VAL 93 far 0 73 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 9972 from aliabs.peaks (2.42, 0.75, 21.32 ppm; 4.18 A): 1 out of 4 assignments used, quality = 0.80: HG3 GLU 97 + QG1 VAL 93 OK 80 81 100 99 3.0-4.0 11849=71, 1.8/9973=43...(17) HG2 MET 11 - QG1 VAL 93 far 0 76 0 - 5.9-31.5 HG3 GLU 128 - QG1 VAL 93 far 0 100 0 - 6.8-8.5 HG2 GLN 101 - QG1 VAL 93 far 0 100 0 - 7.9-11.4 Violated in 0 structures by 0.00 A. Peak 9973 from aliabs.peaks (2.24, 0.75, 21.32 ppm; 3.78 A): 2 out of 6 assignments used, quality = 1.00: HB3 LEU 96 + QG1 VAL 93 OK 100 100 100 100 3.6-4.0 3.0/9974=54, 9971/2.1=40...(27) HG2 GLU 97 + QG1 VAL 93 OK 98 100 100 98 2.4-2.7 1.8/11849=68...(16) HB3 GLU 97 - QG1 VAL 93 far 12 78 15 - 4.3-5.1 HG2 GLN 68 - QG1 VAL 93 far 0 68 0 - 8.3-9.0 HB3 GLU 128 - QG1 VAL 93 far 0 97 0 - 9.1-9.8 HB2 GLN 68 - QG1 VAL 93 far 0 76 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 9974 from aliabs.peaks (1.42, 0.75, 21.32 ppm; 3.96 A increased from 3.73 A): 1 out of 7 assignments used, quality = 0.76: HG LEU 96 + QG1 VAL 93 OK 76 76 100 100 3.4-3.9 3.0/9973=40...(35) QB ALA 92 - QG1 VAL 93 far 0 98 0 - 4.9-5.1 QB ALA 16 - QG1 VAL 93 far 0 60 0 - 6.0-29.9 HG3 LYS 19 - QG1 VAL 93 far 0 89 0 - 7.4-32.1 HG2 LYS 86 - QG1 VAL 93 far 0 99 0 - 7.6-8.6 QB ALA 34 - QG1 VAL 93 far 0 99 0 - 8.3-10.3 HG3 LYS 24 - QG1 VAL 93 far 0 65 0 - 8.6-23.8 Violated in 0 structures by 0.00 A. Peak 9986 from aliabs.peaks (2.73, 0.77, 23.66 ppm; 4.52 A increased from 4.02 A): 1 out of 4 assignments used, quality = 1.00: HB2 CYS 125 + QD1 LEU 96 OK 100 100 100 100 3.7-4.4 1.8/9987=87...(27) HB2 CYS 73 - QD1 LEU 96 far 5 100 5 - 4.9-6.0 HB2 ASP 64 - QD1 LEU 96 far 0 87 0 - 8.8-9.7 HB2 TYR 76 - QD1 LEU 96 far 0 57 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 9987 from aliabs.peaks (3.21, 0.77, 23.66 ppm; 4.14 A increased from 3.90 A): 1 out of 1 assignment used, quality = 0.98: HB3 CYS 125 + QD1 LEU 96 OK 98 98 100 100 3.6-4.0 1.8/9986=71, 9989/2.1=59...(24) Violated in 0 structures by 0.00 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 3.2-4.8 9987/2.1=86, ~9986=60...(27) Violated in 3 structures by 0.01 A. Peak 9991 from aliabs.peaks (3.65, 0.75, 26.12 ppm; 4.68 A): 2 out of 2 assignments used, quality = 0.77: HA2 GLY 66 + QD2 LEU 96 OK 58 73 100 79 3.9-5.2 11058/11037=40...(7) HA3 GLY 66 + QD2 LEU 96 OK 44 85 80 65 4.7-5.7 11808/2.1=37, ~11808=29...(6) Violated in 1 structures by 0.01 A. Peak 10000 from aliabs.peaks (0.82, 3.76, 59.92 ppm; 3.82 A increased from 3.60 A): 2 out of 4 assignments used, quality = 0.97: QD1 LEU 70 + HA GLU 97 OK 96 96 100 100 2.9-3.8 2.1/11090=78, 11101=54...(23) QD1 LEU 122 + HA GLU 97 OK 24 87 35 80 3.7-6.0 9487/10036=52...(14) QD2 LEU 49 - HA GLU 97 far 0 65 0 - 6.1-6.8 QG2 ILE 129 - HA GLU 97 far 0 100 0 - 8.3-9.0 Violated in 0 structures by 0.00 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 1.9-2.3 10036=99, 11115/11090=65...(26) Violated in 0 structures by 0.00 A. Peak 10002 from aliabs.peaks (0.84, 2.13, 28.66 ppm; 3.71 A): 2 out of 5 assignments used, quality = 0.95: QD2 LEU 70 + HB2 GLU 97 OK 85 85 100 100 1.9-4.2 11109=72, 2.1/11111=67...(26) QD1 LEU 70 + HB2 GLU 97 OK 68 68 100 100 1.7-3.2 2.1/11109=67, 11111=52...(26) QD1 LEU 98 - HB2 GLU 97 far 8 81 10 - 3.6-7.3 QG2 ILE 129 - HB2 GLU 97 far 0 93 0 - 7.7-9.6 QD2 LEU 69 - HB2 GLU 97 far 0 63 0 - 8.2-10.4 Violated in 0 structures by 0.00 A. Peak 10003 from aliabs.peaks (0.83, 2.22, 28.66 ppm; 3.75 A): 3 out of 17 assignments used, quality = 0.96: QD2 LEU 70 + HB3 GLU 97 OK 78 78 100 100 2.3-3.5 11109/1.8=50, ~11111=45...(33) QD1 LEU 70 + HB3 GLU 97 OK 76 76 100 100 1.8-2.8 11111/1.8=47, ~11109=45...(30) QG2 ILE 80 + HB2 GLN 82 OK 27 34 85 93 2.8-4.7 11263/1.8=57...(10) QD1 LEU 98 - HB3 GLU 97 far 4 73 5 - 4.3-6.5 QD1 LEU 98 - HB3 GLU 102 far 0 63 0 - 5.0-7.0 QD1 LEU 122 - HB3 GLU 97 far 0 60 0 - 5.6-8.3 QD1 LEU 122 - HB3 GLU 102 far 0 51 0 - 5.8-9.7 HG13 ILE 80 - HB2 GLN 82 far 0 30 0 - 6.3-8.7 QG2 ILE 129 - HB3 GLU 128 far 0 78 0 - 6.3-6.8 QG1 VAL 133 - HB2 GLN 82 far 0 47 0 - 6.6-9.4 QG2 ILE 129 - HB3 GLU 97 far 0 97 0 - 8.3-9.7 QD2 LEU 70 - HB3 GLU 102 far 0 68 0 - 8.6-11.1 QG2 ILE 129 - HB2 GLN 82 far 0 43 0 - 8.8-11.6 QD1 LEU 122 - HB3 GLU 128 far 0 45 0 - 8.9-11.5 QG1 VAL 133 - HB3 GLU 128 far 0 84 0 - 9.4-10.7 QD1 LEU 70 - HB3 GLU 102 far 0 66 0 - 9.5-11.6 QD2 LEU 22 - HB2 GLN 82 far 0 46 0 - 9.7-28.0 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 5 assignments used, quality = 0.95: QD2 LEU 70 + HG2 GLU 97 OK 78 78 100 100 2.0-3.0 9486/1.8=49, ~9489=47...(32) QD1 LEU 70 + HG2 GLU 97 OK 76 76 100 100 1.9-2.5 9489/1.8=50, ~9486=45...(28) QD1 LEU 122 - HG2 GLU 97 far 0 60 0 - 5.1-8.2 QD1 LEU 98 - HG2 GLU 97 far 0 73 0 - 5.6-7.2 QG2 ILE 129 - HG2 GLU 97 far 0 97 0 - 6.6-7.5 Violated in 0 structures by 0.00 A. Peak 10005 from aliabs.peaks (0.83, 2.40, 35.20 ppm; 3.65 A): 2 out of 6 assignments used, quality = 0.95: QD1 LEU 70 + HG3 GLU 97 OK 85 85 100 100 3.2-3.7 9489=75, 2.1/9486=63...(24) QD2 LEU 70 + HG3 GLU 97 OK 68 68 100 100 3.4-3.8 2.1/9489=67, 9486=47...(25) QD1 LEU 98 - HG3 GLU 97 far 0 63 0 - 4.3-6.0 QD1 LEU 122 - HG3 GLU 97 far 0 71 0 - 5.4-8.2 QG1 VAL 133 - HG3 GLU 40 far 0 80 0 - 6.0-7.5 QG2 ILE 129 - HG3 GLU 97 far 0 99 0 - 7.4-8.6 Violated in 0 structures by 0.00 A. Peak 10010 from aliabs.peaks (1.40, 2.40, 35.20 ppm; 4.93 A): 1 out of 9 assignments used, quality = 1.00: HG LEU 96 + HG3 GLU 97 OK 100 100 100 100 3.9-4.6 11114/9486=76...(24) HG3 LYS 95 - HG3 GLU 97 far 0 89 0 - 5.6-6.8 HG2 LYS 95 - HG3 GLU 97 far 0 93 0 - 5.7-7.7 HB2 LEU 96 - HG3 GLU 97 far 0 78 0 - 5.7-6.1 QB ALA 15 - HG3 GLU 97 far 0 81 0 - 6.5-34.2 QB ALA 92 - HG3 GLU 97 far 0 65 0 - 7.0-7.6 HB3 LEU 100 - HG3 GLU 97 far 0 60 0 - 7.0-7.8 HB2 LEU 42 - HG3 GLU 40 far 0 43 0 - 7.2-7.8 QB ALA 16 - HG3 GLU 97 far 0 97 0 - 7.4-37.4 Violated in 0 structures by 0.00 A. Peak 10011 from aliabs.peaks (0.62, 2.40, 35.20 ppm; 5.59 A): 2 out of 4 assignments used, quality = 0.75: QD1 LEU 100 + HG3 GLU 97 OK 65 65 100 100 5.0-5.3 11107/9486=91...(14) QD1 ILE 129 + HG3 GLU 97 OK 28 71 40 97 5.6-6.6 10012/1.8=76...(8) QD1 LEU 42 - HG3 GLU 40 far 0 80 0 - 8.6-9.3 QD1 LEU 42 - HG3 GLU 97 far 0 99 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 10012 from aliabs.peaks (0.63, 2.24, 35.20 ppm; 5.86 A increased from 5.51 A): 1 out of 2 assignments used, quality = 0.78: QD1 ILE 129 + HG2 GLU 97 OK 78 81 100 97 5.1-5.8 9994/3133=58...(11) QD1 LEU 42 - HG2 GLU 97 far 0 100 0 - 8.2-9.0 Violated in 0 structures by 0.00 A. Peak 10013 from aliabs.peaks (0.63, 2.22, 28.66 ppm; 5.86 A increased from 4.94 A): 1 out of 5 assignments used, quality = 0.68: QD1 ILE 129 + HB3 GLU 128 OK 68 68 100 100 5.0-6.2 ~11696=84, 7873/4.5=71...(13) QD1 ILE 129 - HB3 GLU 97 far 0 87 0 - 7.0-8.0 QD1 LEU 42 - HB3 GLU 97 far 0 100 0 - 9.4-10.6 QD1 LEU 42 - HB2 GLN 82 far 0 48 0 - 9.9-12.4 QD1 LEU 42 - HB3 GLU 128 far 0 85 0 - 9.9-11.0 Violated in 2 structures by 0.04 A. Peak 10014 from aliabs.peaks (0.63, 2.13, 28.66 ppm; 5.18 A): 0 out of 2 assignments used, quality = 0.00: QD1 ILE 129 - HB2 GLU 97 far 0 78 0 - 6.3-7.9 QD1 LEU 42 - HB2 GLU 97 far 0 100 0 - 8.7-10.7 Violated in 20 structures by 1.56 A. Peak 10015 from aliabs.peaks (0.29, 2.40, 35.20 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: QG2 VAL 93 + HG3 GLU 97 OK 100 100 100 100 5.2-6.2 2.1/11849=100...(15) Violated in 0 structures by 0.00 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 4.6-5.2 ~11849=97, ~9972=95...(20) Violated in 0 structures by 0.00 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 1.9-3.2 10527=95, 11783/1.8=81...(26) 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 LEU 100 + HB2 LEU 98 OK 100 100 100 100 4.7-5.6 3.4/3166=77...(29) H GLU 97 + HB2 LEU 98 OK 98 98 100 100 4.3-4.6 3.9/7363=78, 9997=70...(8) Violated in 0 structures by 0.00 A. Peak 10021 from aliabs.peaks (8.47, 1.71, 26.70 ppm; 5.41 A increased from 4.81 A): 2 out of 3 assignments used, quality = 0.97: H ASP 47 + HG LEU 48 OK 93 93 100 99 4.0-5.4 3.6/6586=88...(7) H GLU 97 + HG LEU 98 OK 60 63 100 96 4.4-5.6 3.9/3176=83...(6) H LEU 100 - HG LEU 98 far 8 85 10 - 4.7-7.4 Violated in 0 structures by 0.00 A. Peak 10022 from aliabs.peaks (1.60, 3.76, 63.23 ppm; 4.81 A): 2 out of 6 assignments used, quality = 0.97: HG LEU 122 + HB2 SER 99 OK 95 100 95 100 2.0-5.8 ~11702=57, 2.1/11479=51...(28) HB2 LEU 122 + HB2 SER 99 OK 44 99 45 100 4.0-6.7 ~11702=46, 3.1/11479=44...(31) HB2 LEU 103 - HB2 SER 99 poor 15 76 20 - 4.1-6.4 HG LEU 119 - HB2 SER 99 far 0 81 0 - 7.5-9.2 HG LEU 70 - HB2 SER 99 far 0 97 0 - 8.2-9.8 HG LEU 49 - HB2 SER 99 far 0 63 0 - 9.1-11.2 Violated in 1 structures by 0.03 A. Peak 10023 from aliabs.peaks (1.75, 4.22, 62.42 ppm; 6.39 A increased from 5.68 A): 1 out of 1 assignment used, quality = 0.82: HG LEU 100 + HA SER 99 OK 82 83 100 99 5.8-6.1 7399/3.6=82...(15) Violated in 0 structures by 0.00 A. Peak 10024 from aliabs.peaks (3.64, 0.68, 23.45 ppm; 3.25 A): 2 out of 8 assignments used, quality = 1.00: HA3 GLY 66 + QD2 LEU 100 OK 96 100 100 96 1.8-2.1 2.9/9435=36, 3.6/9461=30...(24) HA2 GLY 66 + QD2 LEU 100 OK 94 99 100 95 3.3-3.6 2.9/9435=36, 3.6/9461=30...(19) HD2 PRO 58 - QD2 LEU 62 far 0 66 0 - 5.1-5.7 HA3 GLY 66 - QD2 LEU 62 far 0 82 0 - 5.8-6.1 HA2 GLY 66 - QD2 LEU 62 far 0 79 0 - 6.0-6.3 HD2 PRO 56 - QD2 LEU 62 far 0 60 0 - 7.4-8.2 HD3 PRO 56 - QD2 LEU 62 far 0 78 0 - 8.0-8.7 HD2 PRO 58 - QD2 LEU 100 far 0 87 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 10025 from aliabs.peaks (2.23, 0.68, 23.45 ppm; 4.74 A increased from 4.21 A): 1 out of 13 assignments used, quality = 0.89: HB3 GLN 104 + QD2 LEU 100 OK 89 99 100 89 4.3-4.6 11436/10974=60...(7) HG2 GLN 68 - QD2 LEU 100 far 0 93 0 - 5.9-7.8 HB3 GLU 97 - QD2 LEU 100 far 0 97 0 - 6.1-6.7 HB2 GLN 68 - QD2 LEU 100 far 0 97 0 - 6.3-7.9 HB2 GLN 101 - QD2 LEU 100 far 0 73 0 - 6.4-7.0 HB3 LEU 96 - QD2 LEU 100 far 0 95 0 - 6.7-7.4 HG2 GLU 97 - QD2 LEU 100 far 0 95 0 - 6.7-7.6 HB3 GLU 102 - QD2 LEU 100 far 0 100 0 - 6.8-8.3 HB3 GLN 127 - QD2 LEU 62 far 0 80 0 - 7.8-9.2 HG2 GLN 68 - QD2 LEU 62 far 0 72 0 - 8.0-9.5 HB2 GLN 68 - QD2 LEU 62 far 0 76 0 - 8.7-10.6 HB3 GLN 104 - QD2 LEU 62 far 0 81 0 - 8.8-9.2 HB3 GLN 127 - QD2 LEU 100 far 0 99 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 10028 from aliabs.peaks (2.20, 3.96, 57.71 ppm; 5.70 A increased from 5.36 A): 2 out of 5 assignments used, quality = 0.80: HB3 GLN 104 + HA LEU 100 OK 74 78 100 94 5.4-5.8 3.9/7481=51...(8) HB3 GLU 102 + HA LEU 100 OK 22 65 35 98 5.3-7.0 3.8/7445=80, 4.6/7463=73...(9) HB2 GLN 101 - HA LEU 100 far 5 100 5 - 6.3-6.6 HB2 GLN 104 - HA LEU 100 far 0 95 0 - 6.7-7.0 HB3 GLU 97 - HA LEU 100 far 0 87 0 - 6.9-7.5 Violated in 0 structures by 0.00 A. Peak 10029 from aliabs.peaks (2.22, 1.82, 41.28 ppm; 5.47 A): 3 out of 7 assignments used, quality = 1.00: HB3 GLU 97 + HB2 LEU 100 OK 100 100 100 100 4.0-4.6 3.0/3115=92...(22) HB2 GLN 101 + HB2 LEU 100 OK 90 90 100 100 5.0-6.0 4.0/7411=80, ~10048=59...(10) HG2 GLU 97 + HB2 LEU 100 OK 40 81 50 100 5.5-6.3 3.8/3115=83, ~10011=52...(9) HB3 GLU 102 - HB2 LEU 100 far 0 99 0 - 6.2-8.4 HB3 LEU 96 - HB2 LEU 100 far 0 81 0 - 6.6-7.4 HB3 GLN 104 - HB2 LEU 100 far 0 100 0 - 6.7-7.5 HG2 GLN 68 - HB2 LEU 100 far 0 99 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 10030 from aliabs.peaks (2.21, 0.60, 25.59 ppm; 4.29 A): 2 out of 10 assignments used, quality = 0.99: HB3 GLU 97 + QD1 LEU 100 OK 99 99 100 100 3.5-4.4 3.0/10036=68...(25) HG2 GLU 97 + QD1 LEU 100 OK 25 60 45 94 4.2-5.1 3.8/10036=58...(14) HB3 LEU 96 - QD1 LEU 100 poor 18 60 30 - 4.8-5.3 HG2 GLN 68 - QD1 LEU 100 far 0 100 0 - 5.5-7.0 HB2 GLN 101 - QD1 LEU 100 far 0 99 0 - 6.0-7.0 HB3 GLN 104 - QD1 LEU 100 far 0 97 0 - 6.1-6.8 HB2 GLN 68 - QD1 LEU 100 far 0 100 0 - 6.2-7.3 HB2 GLN 104 - QD1 LEU 100 far 0 71 0 - 7.3-7.9 HB3 GLU 102 - QD1 LEU 100 far 0 92 0 - 7.3-9.1 HB3 GLN 127 - QD1 LEU 100 far 0 98 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 10032 from aliabs.peaks (0.84, 0.68, 23.19 ppm; 3.17 A): 1 out of 9 assignments used, quality = 0.81: QG2 VAL 57 + QD2 LEU 62 OK 81 83 100 98 2.0-2.6 9319=71, 9316/2.1=42...(11) QD2 LEU 70 - QD2 LEU 100 far 0 62 0 - 4.0-4.7 QD1 LEU 70 - QD2 LEU 100 far 0 52 0 - 5.5-6.3 QD2 LEU 69 - QD2 LEU 100 far 0 43 0 - 5.6-6.2 QD2 LEU 69 - QD2 LEU 62 far 0 60 0 - 6.4-6.8 QD1 LEU 98 - QD2 LEU 100 far 0 58 0 - 7.1-8.4 QG2 VAL 57 - QD2 LEU 100 far 0 62 0 - 7.6-8.2 QD2 LEU 70 - QD2 LEU 62 far 0 83 0 - 8.5-8.9 QG2 ILE 129 - QD2 LEU 100 far 0 74 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 10033 from aliabs.peaks (2.41, 0.68, 23.45 ppm; 4.90 A): 1 out of 5 assignments used, quality = 0.79: HG3 GLN 61 + QD2 LEU 62 OK 79 81 100 97 2.8-4.1 10936/9319=71...(7) HG2 GLN 101 - QD2 LEU 100 far 0 93 0 - 5.8-7.6 HG3 GLN 61 - QD2 LEU 100 far 0 99 0 - 7.0-8.1 HG3 GLU 97 - QD2 LEU 100 far 0 96 0 - 7.4-7.8 HB3 PRO 58 - QD2 LEU 62 far 0 82 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 10034 from aliabs.peaks (3.36, 0.60, 25.59 ppm; 4.43 A increased from 4.17 A): 2 out of 3 assignments used, quality = 1.00: HA VAL 63 + QD1 LEU 100 OK 100 100 100 100 4.1-4.7 9386/2.1=94, 10958=81...(25) HB2 HIS 67 + QD1 LEU 100 OK 79 81 100 98 4.0-4.8 3.0/10037=66...(12) HB3 TYR 72 - QD1 LEU 100 far 0 76 0 - 8.3-9.9 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 99 100 100 100 1.9-2.7 10024/2.1=43...(23) HA2 GLY 66 + QD1 LEU 100 OK 98 99 100 99 2.7-3.2 10024/2.1=42...(20) Violated in 0 structures by 0.00 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 1.9-2.3 10001=83, 11090/11115=56...(26) HB2 SER 99 - QD1 LEU 100 far 0 100 0 - 5.1-6.3 Violated in 0 structures by 0.00 A. Peak 10037 from aliabs.peaks (4.21, 0.60, 25.59 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: HA HIS 67 + QD1 LEU 100 OK 100 100 100 100 2.1-2.6 9463=91, 11089/11115=62...(19) HA SER 99 - QD1 LEU 100 far 0 93 0 - 6.3-6.6 HA SER 94 - QD1 LEU 100 far 0 63 0 - 6.7-7.2 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 5 assignments used, quality = 0.95: HA LEU 53 + QD2 LEU 62 OK 79 80 100 99 1.9-3.6 9252=73, 1679/10338=55...(11) HA HIS 67 + QD2 LEU 100 OK 78 81 100 97 3.0-3.9 2.9/9461=46...(14) HA LEU 53 - QD2 LEU 100 far 0 99 0 - 8.0-10.0 HA VAL 105 - QD2 LEU 100 far 0 98 0 - 8.4-8.7 HA HIS 67 - QD2 LEU 62 far 0 60 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 10039 from aliabs.peaks (3.78, 3.96, 57.71 ppm; 5.03 A): 2 out of 3 assignments used, quality = 0.99: HA GLU 97 + HA LEU 100 OK 90 90 100 100 4.9-5.5 3115/3.0=72...(15) HB2 SER 99 + HA LEU 100 OK 87 89 100 98 3.8-5.6 ~7395=58, ~3219=56...(11) HA VAL 118 - HA LEU 100 far 0 63 0 - 6.2-7.1 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 7 assignments used, quality = 1.00: H LEU 69 + QD1 LEU 100 OK 98 99 100 99 4.4-4.7 3.6/11094=66...(10) H SER 99 + QD1 LEU 100 OK 90 100 90 100 4.8-5.6 3.4/7401=73, ~7399=51...(23) H LEU 96 - QD1 LEU 100 far 0 90 0 - 5.6-5.9 H VAL 126 - QD1 LEU 100 far 0 96 0 - 6.2-6.9 H LEU 123 - QD1 LEU 100 far 0 73 0 - 6.5-7.8 H TYR 72 - QD1 LEU 100 far 0 57 0 - 7.0-7.5 H LEU 49 - QD1 LEU 100 far 0 98 0 - 7.5-8.2 Violated in 0 structures by 0.00 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 1.9-2.3 9472=74, 11485/2.1=71...(13) QD TYR 72 - QD1 LEU 100 far 0 87 0 - 7.4-8.0 Violated in 0 structures by 0.00 A. Peak 10048 from aliabs.peaks (1.39, 4.11, 58.80 ppm; 4.81 A): 2 out of 16 assignments used, quality = 0.94: HB3 LEU 100 + HA GLN 101 OK 92 92 100 100 3.8-4.0 7412/2.9=71, ~7411=56...(19) HG2 LYS 86 + HA ILE 80 OK 22 33 65 100 5.1-7.1 9713/3.0=58...(21) QB ALA 34 - HA CYS 79 lone 0 51 55 1 4.5-6.8 HG2 LYS 86 - HA CYS 79 far 0 54 0 - 6.3-7.7 QB ALA 15 - HA ILE 80 far 0 54 0 - 7.1-33.5 HG2 LYS 19 - HA CYS 79 far 0 68 0 - 7.2-30.5 QB ALA 34 - HA ILE 80 far 0 32 0 - 7.5-9.4 HB2 LEU 42 - HA ILE 80 far 0 47 0 - 7.6-8.2 HG2 LYS 24 - HA CYS 79 far 0 77 0 - 7.6-22.6 QB ALA 15 - HA CYS 79 far 0 83 0 - 7.6-29.6 HG3 LYS 26 - HA CYS 79 far 0 83 0 - 8.6-15.2 QB ALA 15 - HA GLN 101 far 0 99 0 - 8.9-34.0 HG LEU 96 - HA GLN 101 far 0 98 0 - 9.0-9.8 QB ALA 16 - HA GLN 101 far 0 100 0 - 9.1-37.8 QB ALA 108 - HA GLN 101 far 0 98 0 - 9.4-10.6 HG2 LYS 19 - HA ILE 80 far 0 43 0 - 9.9-35.3 Violated in 0 structures by 0.00 A. Peak 10049 from aliabs.peaks (0.88, 2.30, 27.78 ppm; 5.23 A increased from 4.40 A): 2 out of 6 assignments used, quality = 0.87: QD1 LEU 98 + HB3 GLN 101 OK 78 78 100 100 4.7-5.5 4.0/3157=72...(12) QD2 LEU 98 + HB3 GLN 101 OK 40 100 40 100 4.4-7.4 4.0/3157=72, ~10056=51...(15) QD2 LEU 70 - HB3 GLN 101 far 0 73 0 - 6.3-8.2 QG1 VAL 118 - HB3 GLN 101 far 0 96 0 - 6.4-7.4 QG2 VAL 63 - HB3 GLN 101 far 0 60 0 - 7.3-7.9 QG1 VAL 20 - HB3 GLN 101 far 0 65 0 - 9.9-32.1 Violated in 1 structures by 0.01 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 0 53 0 - 5.5-7.6 QG2 THR 65 - HB3 GLN 127 far 0 67 0 - 7.9-9.3 Violated in 20 structures by 1.94 A. Peak 10051 from aliabs.peaks (1.78, 2.55, 33.53 ppm; 5.06 A): 1 out of 4 assignments used, quality = 0.99: HB3 LEU 98 + HG3 GLN 101 OK 99 99 100 100 4.1-5.2 1.8/10052=63...(22) HB3 LEU 103 - HG3 GLN 101 far 0 90 0 - 6.2-6.8 HG LEU 100 - HG3 GLN 101 far 0 100 0 - 6.4-7.4 HB3 LEU 122 - HG3 GLN 101 far 0 95 0 - 7.5-11.1 Violated in 1 structures by 0.01 A. Peak 10052 from aliabs.peaks (1.61, 2.55, 33.53 ppm; 6.01 A): 0 out of 3 assignments used, quality = 0.00: HG LEU 70 - HG3 GLN 101 far 0 100 0 - 7.4-9.3 HG LEU 122 - HG3 GLN 101 far 0 100 0 - 8.2-9.7 HB2 LEU 122 - HG3 GLN 101 far 0 100 0 - 8.8-11.1 Violated in 20 structures by 1.41 A. Peak 10053 from aliabs.peaks (1.38, 2.55, 33.53 ppm; 5.93 A increased from 5.27 A): 1 out of 6 assignments used, quality = 1.00: HB3 LEU 100 + HG3 GLN 101 OK 100 100 100 100 5.1-5.8 7412/3314=90...(9) QB ALA 16 - HG3 GLN 101 far 0 92 0 - 7.7-39.1 HG LEU 96 - HG3 GLN 101 far 0 81 0 - 7.9-9.6 QB ALA 15 - HG3 GLN 101 far 0 100 0 - 8.4-35.4 HG3 LYS 95 - HG3 GLN 101 far 0 98 0 - 9.5-10.8 HB2 LEU 96 - HG3 GLN 101 far 0 100 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 10054 from aliabs.peaks (0.99, 2.55, 33.53 ppm; 4.97 A increased from 4.19 A): 1 out of 3 assignments used, quality = 0.89: QG2 VAL 105 + HG3 GLN 101 OK 89 89 100 100 4.4-5.1 ~11503=62, 10065/7451=61...(16) QG2 VAL 118 - HG3 GLN 101 far 5 96 5 - 5.3-6.7 QG2 VAL 126 - HG3 GLN 101 far 0 60 0 - 9.8-10.7 Violated in 1 structures by 0.01 A. Peak 10055 from aliabs.peaks (0.87, 2.55, 33.53 ppm; 4.19 A increased from 3.94 A): 2 out of 4 assignments used, quality = 0.94: QD1 LEU 98 + HG3 GLN 101 OK 92 93 100 99 3.5-4.3 10059/7439=61...(11) QD2 LEU 98 + HG3 GLN 101 OK 29 98 30 97 4.1-6.2 3.1/10051=46, ~10056=41...(14) QG1 VAL 118 - HG3 GLN 101 far 0 83 0 - 5.1-6.2 QD2 LEU 70 - HG3 GLN 101 far 0 90 0 - 6.7-8.3 Violated in 0 structures by 0.00 A. Peak 10056 from aliabs.peaks (0.85, 2.43, 33.53 ppm; 4.97 A increased from 4.18 A): 1 out of 6 assignments used, quality = 0.97: QD1 LEU 98 + HG2 GLN 101 OK 97 97 100 100 3.6-4.9 10059/7438=75...(14) QD2 LEU 70 - HG2 GLN 101 far 0 99 0 - 5.7-9.5 QG1 VAL 133 - HG3 GLN 82 far 0 90 0 - 6.1-10.1 QG1 VAL 133 - HG2 GLN 82 far 0 95 0 - 7.0-10.1 QG2 ILE 129 - HG3 GLN 82 far 0 63 0 - 9.2-12.7 QG2 ILE 129 - HG2 GLN 82 far 0 68 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 10069 from aliabs.peaks (2.07, 0.78, 24.12 ppm; 3.50 A): 2 out of 9 assignments used, quality = 1.00: HB VAL 118 + QD1 LEU 103 OK 100 100 100 100 1.9-2.7 11548=95, 2.1/10265=66...(33) HB2 LEU 62 + QD1 LEU 103 OK 69 97 75 96 3.3-4.5 ~11823=41, ~11721=39...(17) HB2 GLU 102 - QD1 LEU 103 far 0 95 0 - 5.3-7.0 HG2 PRO 117 - QD1 LEU 103 far 0 89 0 - 5.7-6.8 HG3 PRO 117 - QD1 LEU 103 far 0 89 0 - 7.0-8.0 HB VAL 57 - QD1 LEU 103 far 0 81 0 - 7.3-8.4 HB2 GLN 61 - QD1 LEU 103 far 0 60 0 - 7.8-9.4 HG3 PRO 58 - QD1 LEU 103 far 0 100 0 - 8.5-9.9 HG3 PRO 113 - QD1 LEU 103 far 0 97 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 10081 from aliabs.peaks (1.38, 4.18, 62.53 ppm; 5.57 A increased from 5.24 A): 1 out of 5 assignments used, quality = 0.94: QB ALA 108 + HA VAL 105 OK 94 100 100 94 4.3-5.7 2.9/11454=72...(5) QB ALA 109 - HA VAL 105 far 0 99 0 - 8.4-8.9 HB3 LEU 100 - HA VAL 105 far 0 99 0 - 9.0-9.6 QB ALA 110 - HA VAL 105 far 0 100 0 - 9.5-11.4 QB ALA 15 - HA VAL 105 far 0 100 0 - 9.6-36.8 Violated in 2 structures by 0.01 A. Peak 10082 from aliabs.peaks (1.40, 2.27, 31.70 ppm; 5.78 A increased from 4.63 A): 2 out of 8 assignments used, quality = 0.77: QB ALA 108 + HB VAL 105 OK 68 81 85 99 5.7-6.5 10084/2.1=77...(7) QB ALA 92 + HB VAL 132 OK 28 29 100 98 5.0-5.8 ~9933=61, ~11397=50...(10) QB ALA 109 - HB3 PRO 113 far 0 87 0 - 7.3-8.5 HG2 LYS 86 - HB VAL 132 far 0 51 0 - 7.4-8.6 HB2 LEU 42 - HB VAL 132 far 0 32 0 - 8.5-9.5 QB ALA 109 - HB VAL 105 far 0 95 0 - 9.1-10.2 HB3 LEU 100 - HB VAL 105 far 0 65 0 - 9.4-10.0 QB ALA 15 - HB VAL 105 far 0 85 0 - 9.7-37.1 Violated in 0 structures by 0.00 A. Peak 10083 from aliabs.peaks (2.53, 1.01, 20.08 ppm; 4.50 A increased from 4.00 A): 2 out of 2 assignments used, quality = 0.93: HG3 GLU 102 + QG2 VAL 105 OK 80 81 100 99 3.8-4.4 3.7/10086=75...(8) HG3 GLN 101 + QG2 VAL 105 OK 67 71 95 99 4.4-5.1 ~11503=52, 3.5/11451=46...(16) Violated in 0 structures by 0.00 A. Peak 10084 from aliabs.peaks (1.40, 1.01, 20.08 ppm; 5.90 A increased from 4.97 A): 1 out of 6 assignments used, quality = 0.82: QB ALA 108 + QG2 VAL 105 OK 82 83 100 99 5.3-5.8 11532/11466=76...(10) HB3 LEU 100 - QG2 VAL 105 far 0 68 0 - 6.5-6.8 QB ALA 109 - QG2 VAL 105 far 0 96 0 - 7.0-7.9 QB ALA 15 - QG2 VAL 105 far 0 87 0 - 8.1-31.1 QB ALA 16 - QG2 VAL 105 far 0 99 0 - 9.0-34.4 QB ALA 110 - QG2 VAL 105 far 0 89 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 10085 from aliabs.peaks (2.38, 0.95, 20.99 ppm; 3.91 A increased from 3.68 A): 2 out of 6 assignments used, quality = 0.96: HG2 GLN 104 + QG1 VAL 105 OK 94 100 100 94 2.5-4.1 11439/2.1=57...(9) HG3 GLN 61 + QG1 VAL 57 OK 45 45 100 100 3.0-4.4 1.8/9377=76, 10937=68...(27) HG3 GLU 55 - QG1 VAL 57 far 3 60 5 - 2.8-5.8 HB3 PRO 58 - QG1 VAL 57 far 0 42 0 - 5.4-5.7 HB3 PRO 58 - QG1 VAL 112 far 0 45 0 - 7.4-8.7 HB2 PRO 117 - QG1 VAL 112 far 0 36 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 10086 from aliabs.peaks (4.04, 1.01, 20.08 ppm; 3.08 A): 1 out of 3 assignments used, quality = 0.97: HA GLU 102 + QG2 VAL 105 OK 97 100 100 97 1.7-1.9 11508=62, 2.9/10065=37...(12) HA LEU 103 - QG2 VAL 105 far 0 60 0 - 3.8-4.2 HA LEU 119 - QG2 VAL 105 far 0 87 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 10090 from aliabs.peaks (3.95, 0.95, 20.99 ppm; 5.00 A): 2 out of 17 assignments used, quality = 0.79: HD3 PRO 113 + QG1 VAL 112 OK 63 63 100 100 2.9-3.0 4.4=100 HA2 GLY 111 + QG1 VAL 112 OK 44 55 80 98 5.5-5.9 4.8/3550=64, ~10121=57...(9) HA3 GLY 111 - QG1 VAL 112 far 4 70 5 - 5.5-5.8 HA2 GLY 111 - QG1 VAL 57 far 0 52 0 - 5.7-6.7 HB3 SER 107 - QG1 VAL 105 far 0 97 0 - 5.8-7.5 HB2 SER 106 - QG1 VAL 105 far 0 89 0 - 5.8-6.5 HA3 GLY 111 - QG1 VAL 57 far 0 66 0 - 6.0-7.6 HA LEU 100 - QG1 VAL 105 far 0 92 0 - 6.1-7.0 HB2 SER 51 - QG1 VAL 57 far 0 64 0 - 6.2-7.2 HD3 PRO 117 - QG1 VAL 112 far 0 71 0 - 7.2-8.4 HB3 SER 107 - QG1 VAL 112 far 0 66 0 - 7.2-10.3 HD3 PRO 113 - QG1 VAL 57 far 0 59 0 - 7.9-9.4 HA THR 65 - QG1 VAL 57 far 0 47 0 - 8.3-9.3 HB2 SER 106 - QG1 VAL 112 far 0 57 0 - 8.7-11.1 HA3 GLY 14 - QG1 VAL 105 far 0 57 0 - 9.6-34.1 HB3 SER 107 - QG1 VAL 57 far 0 62 0 - 9.7-11.3 HD3 PRO 117 - QG1 VAL 105 far 0 100 0 - 9.8-11.3 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 2 assignments used, quality = 0.99: HB VAL 105 + HA SER 106 OK 99 99 100 100 4.2-4.6 2.1/11466=98...(15) HB3 GLU 102 - HA SER 106 poor 15 60 35 69 5.4-7.9 ~11781=52...(7) Violated in 0 structures by 0.00 A. Peak 10094 from aliabs.peaks (1.39, 3.98, 63.90 ppm; 6.80 A): 3 out of 8 assignments used, quality = 1.00: QB ALA 108 + HB3 SER 106 OK 99 99 100 100 4.9-5.5 11532/3.0=100...(6) QB ALA 108 + HB2 SER 106 OK 80 80 100 100 4.7-5.5 11532/3.0=100...(8) QB ALA 109 + HB2 SER 106 OK 39 84 100 46 5.1-7.1 10852/3502=24...(5) QB ALA 109 - HB3 SER 106 lone 12 100 75 16 5.1-7.7 11541/10096=10, 10217/10210=4 QB ALA 110 - HB2 SER 106 far 0 83 0 - 9.0-11.4 QB ALA 110 - HB3 SER 106 far 0 100 0 - 9.2-11.7 HB3 LEU 100 - HB2 SER 106 far 0 73 0 - 9.6-11.9 HB3 LEU 100 - HB3 SER 106 far 0 93 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 10095 from aliabs.peaks (0.98, 3.98, 63.90 ppm; 6.05 A): 4 out of 8 assignments used, quality = 0.97: QG1 VAL 105 + HB3 SER 106 OK 71 71 100 100 5.9-6.6 ~11466=76, ~11530=75...(15) QG2 VAL 118 + HB3 SER 106 OK 55 71 100 78 3.6-5.2 ~11854=29...(10) QG1 VAL 105 + HB2 SER 106 OK 53 53 100 100 5.8-6.5 ~11466=76, ~11530=75...(15) QG2 VAL 118 + HB2 SER 106 OK 47 53 100 90 3.1-5.6 10263/11536=39...(14) QG1 VAL 112 - HB2 SER 106 far 0 75 0 - 8.7-11.1 QG1 VAL 112 - HB3 SER 106 far 0 95 0 - 8.8-11.4 QD2 LEU 53 - HB3 SER 106 far 0 96 0 - 9.2-12.4 QD2 LEU 53 - HB2 SER 106 far 0 76 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 10096 from aliabs.peaks (0.79, 3.98, 63.90 ppm; 6.27 A): 2 out of 10 assignments used, quality = 0.99: QD1 LEU 103 + HB3 SER 106 OK 96 98 100 98 4.1-6.2 11469/4.0=75, ~11536=63...(13) QD1 LEU 103 + HB2 SER 106 OK 79 80 100 99 4.0-5.6 3.2/11536=79...(16) QD2 LEU 119 - HB3 SER 106 far 10 100 10 - 6.8-9.7 QD2 LEU 122 - HB2 SER 106 far 0 83 0 - 7.0-10.8 QD2 LEU 119 - HB2 SER 106 far 0 84 0 - 7.4-8.6 QD2 LEU 122 - HB3 SER 106 far 0 100 0 - 7.5-10.3 QG1 VAL 63 - HB2 SER 106 far 0 80 0 - 7.9-9.3 QG1 VAL 63 - HB3 SER 106 far 0 99 0 - 8.0-10.1 QD1 LEU 122 - HB2 SER 106 far 0 70 0 - 8.1-10.7 QD1 LEU 122 - HB3 SER 106 far 0 90 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 10104 from aliabs.peaks (1.40, 3.96, 63.62 ppm; 5.50 A increased from 4.40 A): 3 out of 8 assignments used, quality = 1.00: QB ALA 109 + HB3 SER 107 OK 95 96 100 99 3.5-5.7 10852/3.0=94...(11) QB ALA 108 + HB3 SER 107 OK 83 83 100 100 4.3-5.8 2.9/7557=94...(8) QB ALA 108 + HB2 SER 106 OK 54 55 100 99 4.7-5.5 11532/3.0=79...(7) QB ALA 109 - HB2 SER 106 poor 13 67 20 - 5.1-7.1 QB ALA 110 - HB3 SER 107 far 0 89 0 - 6.5-9.0 HB3 LEU 100 - HB3 SER 107 far 0 68 0 - 7.9-10.3 QB ALA 110 - HB2 SER 106 far 0 60 0 - 9.0-11.4 HB3 LEU 100 - HB2 SER 106 far 0 44 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 10105 from aliabs.peaks (0.97, 3.96, 63.62 ppm; 3.76 A): 0 out of 8 assignments used, quality = 0.00: QG2 VAL 118 - HB3 SER 107 poor 15 60 25 - 3.9-6.8 QG2 VAL 118 - HB2 SER 106 poor 14 38 80 46 3.1-5.6 2.1/11853=10, 10270=9...(12) QG1 VAL 105 - HB3 SER 107 far 0 81 0 - 5.8-7.5 QG1 VAL 105 - HB2 SER 106 far 0 53 0 - 5.8-6.5 QG1 VAL 112 - HB3 SER 107 far 0 98 0 - 7.2-10.3 QD2 LEU 53 - HB3 SER 107 far 0 99 0 - 7.7-9.3 QG1 VAL 112 - HB2 SER 106 far 0 71 0 - 8.7-11.1 QD2 LEU 53 - HB2 SER 106 far 0 71 0 - 9.6-11.3 Violated in 4 structures by 0.16 A. Peak 10106 from aliabs.peaks (0.78, 3.96, 63.62 ppm; 3.87 A): 2 out of 13 assignments used, quality = 0.89: QD1 LEU 103 + HB3 SER 107 OK 85 100 100 85 1.8-3.8 11486/7557=30...(22) QD1 LEU 103 + HB2 SER 106 OK 26 74 50 70 4.0-5.6 11469/4.0=30...(13) QG1 VAL 63 - HB3 SER 107 far 5 100 5 - 4.5-6.5 QD2 LEU 119 - HB3 SER 107 far 0 97 0 - 4.7-6.3 QD2 LEU 122 - HB3 SER 107 far 0 99 0 - 6.2-9.7 QD1 LEU 122 - HB3 SER 107 far 0 63 0 - 6.3-9.6 QD2 LEU 122 - HB2 SER 106 far 0 71 0 - 7.0-10.8 QD2 LEU 119 - HB2 SER 106 far 0 69 0 - 7.4-8.6 QG1 VAL 63 - HB2 SER 106 far 0 74 0 - 7.9-9.3 QD1 LEU 122 - HB2 SER 106 far 0 40 0 - 8.1-10.7 QD1 LEU 53 - HB3 SER 107 far 0 92 0 - 8.7-11.4 QD2 LEU 49 - HB3 SER 107 far 0 85 0 - 8.8-10.4 QD1 LEU 96 - HB3 SER 107 far 0 100 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 10107 from aliabs.peaks (1.82, 3.92, 63.62 ppm; 5.46 A): 2 out of 6 assignments used, quality = 0.88: HB2 LYS 36 + HB2 SER 33 OK 67 70 95 100 4.8-6.4 10856/1.8=92...(12) HB ILE 32 + HB2 SER 33 OK 65 65 100 100 5.6-6.0 6361/6367=89, ~10862=69...(16) HB3 ARG 23 - HB2 SER 33 far 4 71 5 - 5.9-18.8 HB3 LYS 26 - HB2 SER 33 far 0 69 0 - 6.9-10.6 HB3 LYS 31 - HB2 SER 33 far 0 66 0 - 7.2-8.3 HB2 LEU 100 - HB2 SER 107 far 0 100 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 10109 from aliabs.peaks (1.42, 3.92, 63.62 ppm; 5.10 A increased from 4.80 A): 2 out of 4 assignments used, quality = 0.89: QB ALA 34 + HB2 SER 33 OK 72 72 100 100 4.8-5.6 6376/6373=89...(8) QB ALA 109 + HB2 SER 107 OK 62 63 100 98 3.1-5.0 10852/3.0=82...(10) HG2 LYS 26 - HB2 SER 33 far 0 61 0 - 5.7-11.3 HG13 ILE 32 - HB2 SER 33 far 0 63 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 10110 from aliabs.peaks (0.96, 3.92, 63.62 ppm; 6.80 A increased from 5.58 A): 3 out of 6 assignments used, quality = 0.95: QD1 LEU 119 + HB2 SER 107 OK 78 81 100 97 5.3-7.3 2.1/10111=94...(4) QG1 VAL 105 + HB2 SER 107 OK 61 99 65 94 5.8-7.6 11448/4.1=81, ~10113=37...(4) QG2 ILE 37 + HB2 SER 33 OK 43 44 100 99 6.7-7.2 ~10786=82, ~10863=77...(5) QG1 VAL 112 - HB2 SER 107 far 5 99 5 - 7.1-9.5 QD2 LEU 53 - HB2 SER 107 far 0 99 0 - 7.9-9.8 QG1 VAL 57 - HB2 SER 107 far 0 89 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 10111 from aliabs.peaks (0.81, 3.92, 63.62 ppm; 4.98 A): 2 out of 7 assignments used, quality = 0.64: QG2 ILE 32 + HB2 SER 33 OK 42 42 100 100 4.1-4.6 4.4/6367=71...(17) QD2 LEU 119 + HB2 SER 107 OK 38 73 65 79 4.5-6.3 2.1/10110=68, ~11623=12...(6) QD2 LEU 122 - HB2 SER 107 far 0 65 0 - 6.0-10.1 QD1 LEU 122 - HB2 SER 107 far 0 99 0 - 7.0-10.2 QD1 LEU 53 - HB2 SER 107 far 0 83 0 - 9.0-11.3 QD2 LEU 49 - HB2 SER 107 far 0 90 0 - 9.1-10.7 QD2 LEU 22 - HB2 SER 33 far 0 38 0 - 9.2-20.3 Violated in 0 structures by 0.00 A. Peak 10113 from aliabs.peaks (0.98, 4.39, 58.42 ppm; 6.64 A): 2 out of 8 assignments used, quality = 0.93: QG2 VAL 118 + HA SER 107 OK 78 81 100 97 4.0-6.5 10272=63, 2.1/11597=44...(11) QG2 VAL 105 + HA SER 107 OK 66 68 100 97 5.7-6.1 ~11448=69, 11485/3.6=45...(8) QG1 VAL 112 - HA SER 107 poor 18 89 20 - 6.6-8.3 QG1 VAL 105 - HA SER 9 far 2 49 5 - 6.2-36.4 QG1 VAL 105 - HA SER 107 far 0 60 0 - 7.2-7.7 QD2 LEU 53 - HA SER 107 far 0 90 0 - 7.9-9.6 QG2 VAL 105 - HA SER 9 far 0 56 0 - 8.2-37.3 QG2 VAL 118 - HA SER 9 far 0 67 0 - 9.7-39.9 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 14 assignments used, quality = 1.00: HD3 PRO 113 + QG1 VAL 112 OK 100 100 100 100 2.9-3.0 1.8/10125=71, 11556=58...(33) HA2 GLY 111 - QG1 VAL 112 far 0 100 0 - 5.5-5.9 HA3 GLY 111 - QG1 VAL 112 far 0 96 0 - 5.5-5.8 HB3 SER 107 - QG1 VAL 105 far 0 41 0 - 5.8-7.5 HB2 SER 107 - QG1 VAL 105 far 0 60 0 - 5.8-7.6 HB2 SER 107 - QG1 VAL 112 far 0 92 0 - 7.1-9.5 HD3 PRO 117 - QG1 VAL 112 far 0 85 0 - 7.2-8.4 HB3 SER 107 - QG1 VAL 112 far 0 68 0 - 7.2-10.3 HB3 SER 60 - QG1 VAL 105 far 0 43 0 - 8.1-10.5 HB2 SER 60 - QG1 VAL 105 far 0 43 0 - 8.3-10.6 HA2 GLY 14 - QG1 VAL 105 far 0 60 0 - 9.0-33.2 HB2 SER 60 - QG1 VAL 112 far 0 71 0 - 9.3-12.3 HA3 GLY 14 - QG1 VAL 105 far 0 61 0 - 9.6-34.1 HD3 PRO 117 - QG1 VAL 105 far 0 54 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 10125 from aliabs.peaks (3.70, 0.96, 20.76 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 113 + QG1 VAL 112 OK 100 100 100 100 1.6-1.7 11557=76, 1.8/10124=68...(31) Violated in 0 structures by 0.00 A. Peak 10126 from aliabs.peaks (3.93, 0.92, 20.13 ppm; 4.07 A increased from 3.43 A): 3 out of 8 assignments used, quality = 1.00: HA2 GLY 111 + QG2 VAL 112 OK 100 100 100 100 3.6-4.0 10661=96, 3.6/3556=71...(10) HD3 PRO 113 + QG2 VAL 112 OK 97 97 100 100 4.2-4.4 10124/2.1=86...(39) HA3 GLY 111 + QG2 VAL 112 OK 84 85 100 99 3.7-4.1 1.8/10661=79...(9) HB2 SER 107 - QG2 VAL 112 far 0 99 0 - 5.7-7.7 HB2 SER 60 - QG2 VAL 112 far 0 87 0 - 7.2-10.0 HB3 SER 60 - QG2 VAL 112 far 0 87 0 - 7.7-10.0 HD3 PRO 117 - QG2 VAL 112 far 0 68 0 - 8.1-8.9 HA3 GLY 2 - QG2 VAL 112 far 0 60 0 - 9.9-55.4 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 5 assignments used, quality = 1.00: HB THR 115 + HB VAL 112 OK 100 100 100 100 1.9-4.5 11544/2.1=89...(17) HA ALA 109 + HB VAL 112 OK 29 97 30 100 4.4-5.7 2.1/10134=72, ~11548=64...(12) HA ALA 110 - HB VAL 112 far 0 89 0 - 6.7-8.2 HA ALA 15 - HB2 PRO 81 far 0 70 0 - 7.4-43.8 HA ALA 108 - HB VAL 112 far 0 97 0 - 8.2-9.9 Violated in 0 structures by 0.00 A. Peak 10129 from aliabs.peaks (3.94, 2.12, 32.13 ppm; 3.73 A): 0 out of 10 assignments used, quality = 0.00: HD3 PRO 113 - HB VAL 112 far 0 100 0 - 4.7-4.8 HA2 GLY 111 - HB VAL 112 far 0 99 0 - 4.9-5.4 HA3 GLY 111 - HB VAL 112 far 0 99 0 - 5.0-6.0 HB2 SER 107 - HB VAL 112 far 0 85 0 - 6.3-9.3 HB3 SER 107 - HB VAL 112 far 0 78 0 - 6.7-10.0 HD3 PRO 117 - HB VAL 112 far 0 92 0 - 7.9-9.0 HB2 SER 60 - HB VAL 112 far 0 60 0 - 8.9-12.5 HB2 SER 106 - HB VAL 112 far 0 60 0 - 9.0-11.4 HA2 GLY 14 - HB2 PRO 81 far 0 59 0 - 9.6-41.1 HB3 SER 60 - HB VAL 112 far 0 60 0 - 9.8-12.7 Violated in 20 structures by 0.45 A. Peak 10130 from aliabs.peaks (3.70, 2.12, 32.13 ppm; 3.85 A increased from 3.63 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 113 + HB VAL 112 OK 100 100 100 100 3.6-3.8 11570=96, 10125/2.1=83...(39) Violated in 0 structures by 0.00 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 3.5-3.7 10137=99, 10125/2.1=79...(37) Violated in 4 structures by 0.00 A. Peak 10134 from aliabs.peaks (1.40, 2.12, 32.13 ppm; 4.47 A): 1 out of 8 assignments used, quality = 0.99: QB ALA 109 + HB VAL 112 OK 99 99 100 100 2.1-3.3 11548/2.1=96...(14) QB ALA 15 - HB2 PRO 81 far 3 67 5 - 4.8-35.2 QB ALA 110 - HB VAL 112 far 0 95 0 - 6.1-7.0 QB ALA 108 - HB VAL 112 far 0 90 0 - 7.2-8.4 HG2 LYS 86 - HB2 PRO 81 far 0 61 0 - 8.7-11.0 HG2 LYS 19 - HB2 PRO 81 far 0 47 0 - 9.3-36.5 QB ALA 16 - HB2 PRO 81 far 0 76 0 - 9.6-36.5 QB ALA 34 - HB2 PRO 81 far 0 59 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 10135 from aliabs.peaks (1.40, 0.96, 20.76 ppm; 3.81 A): 1 out of 8 assignments used, quality = 0.90: QB ALA 109 + QG1 VAL 112 OK 90 90 100 99 3.1-4.0 11548/2.1=74...(16) QB ALA 110 - QG1 VAL 112 far 0 81 0 - 5.5-6.5 QB ALA 108 - QG1 VAL 105 far 0 45 0 - 5.6-6.7 QB ALA 108 - QG1 VAL 112 far 0 73 0 - 6.8-8.0 QB ALA 15 - QG1 VAL 105 far 0 49 0 - 6.9-29.4 QB ALA 109 - QG1 VAL 105 far 0 59 0 - 8.6-9.0 QB ALA 16 - QG1 VAL 105 far 0 64 0 - 8.6-32.7 QB ALA 110 - QG1 VAL 105 far 0 50 0 - 9.7-11.4 Violated in 2 structures by 0.01 A. Peak 10137 from aliabs.peaks (0.93, 3.70, 50.81 ppm; 3.69 A): 1 out of 4 assignments used, quality = 0.99: QG2 VAL 112 + HD2 PRO 113 OK 99 99 100 100 3.5-3.7 10131=99, 2.1/10125=79...(37) QD1 LEU 119 - HD2 PRO 113 far 0 98 0 - 5.2-6.7 QD1 LEU 62 - HD2 PRO 113 far 0 90 0 - 7.6-9.5 QG1 VAL 57 - HD2 PRO 113 far 0 95 0 - 9.0-10.3 Violated in 4 structures by 0.00 A. Peak 10139 from aliabs.peaks (0.93, 3.94, 50.81 ppm; 4.57 A increased from 3.84 A): 2 out of 9 assignments used, quality = 1.00: QG2 VAL 112 + HD3 PRO 113 OK 99 99 100 100 4.2-4.4 4.4=100 QD1 LEU 119 + HD3 PRO 117 OK 68 69 100 99 4.2-4.6 10252/1.8=68...(12) QD1 LEU 119 - HD3 PRO 113 far 0 98 0 - 5.5-7.1 QD1 LEU 62 - HD3 PRO 113 far 0 90 0 - 7.1-9.3 QD1 LEU 62 - HD3 PRO 117 far 0 60 0 - 7.9-8.6 QG1 VAL 57 - HD3 PRO 113 far 0 95 0 - 7.9-9.4 QG2 VAL 112 - HD3 PRO 117 far 0 71 0 - 8.1-8.9 QG2 VAL 63 - HD3 PRO 117 far 0 55 0 - 9.1-9.8 QG1 VAL 105 - HD3 PRO 117 far 0 46 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 10140 from aliabs.peaks (0.95, 1.91, 31.65 ppm; 4.74 A increased from 4.46 A): 1 out of 5 assignments used, quality = 0.87: QG1 VAL 112 + HB2 PRO 113 OK 87 87 100 100 4.6-4.7 10125/3.0=72...(41) QD1 LEU 119 - HB2 PRO 113 far 5 98 5 - 5.0-7.1 QG2 VAL 112 - HB2 PRO 113 far 0 73 0 - 6.4-6.5 QG1 VAL 57 - HB2 PRO 113 far 0 100 0 - 7.5-9.5 QD2 LEU 53 - HB2 PRO 113 far 0 85 0 - 7.8-10.3 Violated in 0 structures by 0.00 A. Peak 10141 from aliabs.peaks (1.58, 2.06, 27.50 ppm; 5.55 A increased from 4.94 A): 1 out of 6 assignments used, quality = 0.76: HG LEU 123 + HB2 GLN 127 OK 76 76 100 100 5.3-5.5 2.1/10436=79, ~10437=70...(22) HB2 LEU 103 - HG2 PRO 117 far 0 88 0 - 7.4-8.0 HG LEU 122 - HG2 PRO 117 far 0 49 0 - 8.6-10.9 HB2 LEU 103 - HG3 PRO 117 far 0 88 0 - 9.1-9.8 HG LEU 103 - HG2 PRO 117 far 0 72 0 - 9.1-10.1 HG LEU 49 - HB2 GLN 127 far 0 81 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 10142 from aliabs.peaks (0.97, 2.06, 27.50 ppm; 4.21 A): 2 out of 18 assignments used, quality = 1.00: QG1 VAL 112 + HG3 PRO 113 OK 100 100 100 100 2.9-3.0 10125/2.3=89...(38) QG1 VAL 57 + HG3 PRO 58 OK 49 49 100 100 4.4-4.7 9309/2.3=53, 9308/2.3=53...(18) QG1 VAL 126 - HB2 GLN 127 far 0 76 0 - 4.9-5.4 QD1 LEU 119 - HG3 PRO 113 far 0 63 0 - 5.1-7.0 QD1 LEU 119 - HG2 PRO 117 far 0 49 0 - 5.4-5.9 QD1 LEU 119 - HG3 PRO 117 far 0 49 0 - 6.1-6.4 QG2 VAL 126 - HB2 GLN 127 far 0 81 0 - 6.7-6.8 QD2 LEU 53 - HB2 GLN 127 far 0 81 0 - 8.1-9.0 QD2 LEU 53 - HG2 PRO 117 far 0 88 0 - 8.6-9.5 QD2 LEU 53 - HG3 PRO 113 far 0 100 0 - 8.9-11.3 QG1 VAL 112 - HG3 PRO 58 far 0 76 0 - 9.0-10.4 QG1 VAL 112 - HG2 PRO 117 far 0 88 0 - 9.1-10.2 QG1 VAL 112 - HG3 PRO 117 far 0 88 0 - 9.2-10.2 QD2 LEU 53 - HG3 PRO 58 far 0 76 0 - 9.3-10.6 QD2 LEU 53 - HG3 PRO 117 far 0 88 0 - 9.4-10.5 QD1 LEU 119 - HG3 PRO 58 far 0 41 0 - 9.4-10.3 QG1 VAL 57 - HG3 PRO 113 far 0 73 0 - 9.4-11.3 QG1 VAL 105 - HG2 PRO 117 far 0 79 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 10143 from aliabs.peaks (0.82, 2.06, 27.50 ppm; 6.02 A): 3 out of 10 assignments used, quality = 0.99: QG2 ILE 80 + HG3 PRO 81 OK 79 79 100 100 2.9-4.9 11281/2.3=89...(26) HG13 ILE 80 + HG3 PRO 81 OK 75 75 100 100 4.7-5.9 ~11248=68, ~11178=63...(26) QG1 VAL 133 + HG3 PRO 81 OK 72 74 100 98 4.3-4.8 ~11757=76, 10574=43...(13) QD1 LEU 122 - HB2 GLN 127 far 0 63 0 - 7.6-10.1 QD2 LEU 49 - HB2 GLN 127 far 0 44 0 - 7.6-8.4 QD1 LEU 122 - HG2 PRO 117 far 0 68 0 - 7.8-9.9 QG2 ILE 129 - HB2 GLN 127 far 0 81 0 - 7.9-8.3 QG2 ILE 129 - HG3 PRO 81 far 0 84 0 - 8.8-10.1 QD1 LEU 122 - HG3 PRO 117 far 0 68 0 - 9.2-11.3 QG1 VAL 133 - HB2 GLN 127 far 0 71 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 10144 from aliabs.peaks (1.16, 2.06, 27.50 ppm; 6.80 A): 1 out of 7 assignments used, quality = 0.29: HG3 LYS 39 + HG3 PRO 81 OK 29 84 90 38 5.0-7.8 11680/10574=19...(6) HG2 LYS 39 - HG3 PRO 81 poor 8 55 40 36 3.7-9.0 11680/10574=20...(7) QG2 VAL 132 - HB2 GLN 127 poor 6 63 40 24 7.0-8.0 10442/4079=14...(3) QG2 VAL 77 - HG3 PRO 81 far 0 48 0 - 7.7-8.9 HB3 LEU 62 - HG3 PRO 58 far 0 63 0 - 7.8-9.7 QG2 VAL 132 - HG3 PRO 81 far 0 65 0 - 8.0-10.0 QB ALA 41 - HG3 PRO 81 far 0 69 0 - 9.6-11.6 Violated in 12 structures by 0.23 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): 0 out of 11 assignments used, quality = 0.00: HB2 HIS 5 - HG3 PRO 117 far 8 77 10 - 5.0-61.5 HB3 HIS 8 - HB2 GLN 127 far 4 80 5 - 6.5-57.1 HB2 HIS 5 - HG2 PRO 117 far 4 77 5 - 4.5-59.9 HB2 HIS 5 - HB2 GLN 127 far 4 71 5 - 5.1-62.0 HB3 HIS 4 - HB2 GLN 127 far 4 71 5 - 6.6-64.6 HB3 CYS 125 - HB2 GLN 127 far 0 64 0 - 7.7-8.7 HD2 ARG 84 - HG3 PRO 81 far 0 42 0 - 7.8-13.7 HD3 ARG 135 - HG3 PRO 81 far 0 71 0 - 7.9-10.8 HB3 HIS 4 - HG3 PRO 117 far 0 77 0 - 8.3-62.6 HB3 HIS 4 - HG2 PRO 117 far 0 77 0 - 8.4-61.0 HD3 ARG 84 - HG3 PRO 81 far 0 42 0 - 8.8-13.0 Violated in 13 structures by 0.39 A. Peak 10150 from aliabs.peaks (4.12, 4.36, 63.99 ppm; 4.88 A): 1 out of 4 assignments used, quality = 0.99: HA3 GLY 114 + HA PRO 113 OK 99 99 100 100 4.3-4.4 2.9/7591=98, 11572=96...(8) HA ILE 80 - HA CYS 73 far 0 51 0 - 7.7-8.7 HA ALA 52 - HA PRO 113 far 0 90 0 - 8.5-10.9 HA CYS 79 - HA CYS 73 far 0 50 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 10157 from aliabs.peaks (1.93, 3.88, 45.18 ppm; 6.33 A): 1 out of 3 assignments used, quality = 0.90: HB2 PRO 113 + HA2 GLY 114 OK 90 90 100 100 5.3-6.3 ~7591=92, ~3593=90...(15) HG2 PRO 113 - HA2 GLY 114 poor 20 99 20 - 6.1-7.5 HG LEU 53 - HA2 GLY 114 far 0 97 0 - 7.0-10.8 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 5.6-5.7 2.3/10150=99, ~7591=96...(13) HB3 LEU 119 + HA3 GLY 114 OK 60 60 100 100 2.4-5.8 3.0/10165=92, ~10163=82...(9) HB3 LEU 123 - HA3 GLY 114 far 0 78 0 - 7.5-11.0 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 3 assignments used, quality = 1.00: QG2 THR 115 + HA2 GLY 114 OK 100 100 100 100 4.4-5.2 7607/7603=93...(12) HG12 ILE 32 - HA3 GLY 75 far 0 40 0 - 8.6-11.0 HB3 LEU 62 - HA2 GLY 114 far 0 90 0 - 9.1-11.3 Violated in 3 structures by 0.00 A. Peak 10163 from aliabs.peaks (0.94, 3.88, 45.18 ppm; 4.56 A): 2 out of 9 assignments used, quality = 1.00: QD1 LEU 119 + HA2 GLY 114 OK 99 100 100 99 2.2-3.7 10160/2.9=71...(12) QG2 ILE 37 + HA3 GLY 75 OK 71 72 100 100 4.2-4.8 10667/3.5=65...(12) QD2 LEU 53 - HA2 GLY 114 poor 13 65 20 - 4.8-7.6 QD1 LEU 62 - HA2 GLY 114 far 0 68 0 - 5.3-7.2 QG1 VAL 112 - HA2 GLY 114 far 0 68 0 - 5.3-5.9 QG2 VAL 112 - HA2 GLY 114 far 0 90 0 - 6.8-8.2 QD1 LEU 123 - HA2 GLY 114 far 0 93 0 - 8.7-10.1 QG1 VAL 57 - HA2 GLY 114 far 0 100 0 - 9.0-11.0 QG2 VAL 63 - HA2 GLY 114 far 0 60 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 10164 from aliabs.peaks (1.12, 4.12, 45.18 ppm; 5.55 A increased from 4.67 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 115 + HA3 GLY 114 OK 100 100 100 100 4.5-5.5 7607/3.6=96...(10) HB3 LEU 62 - HA3 GLY 114 far 0 85 0 - 8.1-11.9 Violated in 0 structures by 0.00 A. Peak 10165 from aliabs.peaks (0.93, 4.12, 45.18 ppm; 5.27 A): 1 out of 6 assignments used, quality = 0.97: QD1 LEU 119 + HA3 GLY 114 OK 97 97 100 100 1.8-4.3 10163/1.8=90...(11) QD1 LEU 62 - HA3 GLY 114 far 14 93 15 - 4.4-7.6 QG2 VAL 112 - HA3 GLY 114 far 0 100 0 - 7.3-7.8 QG1 VAL 57 - HA3 GLY 114 far 0 92 0 - 8.3-10.9 QD1 LEU 123 - HA3 GLY 114 far 0 100 0 - 8.6-10.9 QG2 VAL 63 - HA3 GLY 114 far 0 89 0 - 9.1-12.3 Violated in 0 structures by 0.00 A. Peak 10175 from aliabs.peaks (3.89, 4.40, 61.45 ppm; 4.66 A increased from 4.14 A): 1 out of 3 assignments used, quality = 1.00: HA2 GLY 114 + HA THR 115 OK 100 100 100 100 4.4-4.6 7603/3.0=86, 5.0=81...(13) HA3 GLY 2 - HA THR 115 far 0 97 0 - 8.3-71.3 HA2 GLY 2 - HA THR 115 far 0 97 0 - 9.1-71.8 Violated in 0 structures by 0.00 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 4.5-4.7 2.9/3638=92...(17) Violated in 0 structures by 0.00 A. Peak 10178 from aliabs.peaks (4.97, 4.27, 69.62 ppm; 5.94 A increased from 5.28 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + HB THR 115 OK 100 100 100 100 5.5-5.7 2.9/7612=98...(12) Violated in 0 structures by 0.00 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 2.9-3.4 10177/3645=65...(15) Violated in 0 structures by 0.00 A. Peak 10180 from aliabs.peaks (1.92, 4.40, 61.45 ppm; 5.46 A): 0 out of 2 assignments used, quality = 0.00: HG2 PRO 113 - HA THR 115 far 15 97 15 - 5.6-7.3 HB2 PRO 113 - HA THR 115 far 0 96 0 - 6.4-7.5 Violated in 17 structures by 0.84 A. Peak 10181 from aliabs.peaks (3.88, 1.13, 21.32 ppm; 5.08 A increased from 4.28 A): 2 out of 6 assignments used, quality = 1.00: HA2 GLY 114 + QG2 THR 115 OK 100 100 100 100 4.4-5.2 10162=99, 7603/7607=92...(12) HD2 PRO 117 + QG2 THR 115 OK 63 71 100 89 4.7-5.3 3.8/10179=60...(5) HB3 SER 60 - QG2 THR 115 far 0 65 0 - 8.4-11.4 HB2 SER 60 - QG2 THR 115 far 0 65 0 - 8.4-11.2 HA3 GLY 2 - QG2 THR 115 far 0 90 0 - 8.4-56.3 HA2 GLY 2 - QG2 THR 115 far 0 92 0 - 8.6-56.7 Violated in 0 structures by 0.00 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 2.3-2.7 7615/4.2=72...(17) HB2 ASN 120 - QG2 THR 115 far 0 60 0 - 9.0-9.6 Violated in 0 structures by 0.00 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 1.8-2.9 11497=90, 2.1/11499=86...(21) HB VAL 57 - QG2 THR 115 far 0 96 0 - 8.7-9.6 HB2 GLU 102 - QG2 THR 115 far 0 83 0 - 8.9-11.7 HB3 GLN 61 - QG2 THR 115 far 0 100 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 10186 from aliabs.peaks (1.85, 1.13, 21.32 ppm; 5.67 A increased from 4.54 A): 1 out of 1 assignment used, quality = 0.78: HB3 LEU 119 + QG2 THR 115 OK 78 78 100 100 5.4-5.7 3.1/10195=93, ~10296=64...(15) Violated in 1 structures by 0.00 A. Peak 10187 from aliabs.peaks (3.88, 4.27, 69.62 ppm; 3.83 A): 0 out of 2 assignments used, quality = 0.00: HA2 GLY 114 - HB THR 115 far 0 100 0 - 5.0-5.5 HD2 PRO 117 - HB THR 115 far 0 81 0 - 7.2-7.8 Violated in 20 structures by 1.19 A. Peak 10189 from aliabs.peaks (2.06, 4.27, 69.62 ppm; 4.73 A): 1 out of 4 assignments used, quality = 0.95: HG3 PRO 113 + HB THR 115 OK 95 100 100 95 2.4-4.8 10142/11544=44...(9) HB VAL 118 - HB THR 115 far 0 99 0 - 9.3-9.6 HG3 PRO 117 - HB THR 115 far 0 99 0 - 9.5-10.1 HG2 PRO 117 - HB THR 115 far 0 99 0 - 9.7-10.0 Violated in 2 structures by 0.00 A. Peak 10191 from aliabs.peaks (1.38, 4.27, 69.62 ppm; 3.54 A): 1 out of 3 assignments used, quality = 0.40: QB ALA 109 + HB THR 115 OK 40 96 45 93 3.8-5.6 10196/2.1=73...(9) QB ALA 110 - HB THR 115 far 0 99 0 - 7.5-10.1 QB ALA 108 - HB THR 115 far 0 100 0 - 8.1-10.2 Violated in 20 structures by 0.97 A. Peak 10192 from aliabs.peaks (0.93, 4.27, 69.62 ppm; 4.43 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 119 + HB THR 115 OK 99 99 100 100 4.2-4.4 10296=94, ~10195=54...(12) QG2 VAL 112 + HB THR 115 OK 99 99 100 100 3.3-4.8 11553/2.1=94...(19) QD1 LEU 62 - HB THR 115 far 0 87 0 - 7.3-8.1 Violated in 0 structures by 0.00 A. Peak 10193 from aliabs.peaks (0.81, 4.27, 69.62 ppm; 5.78 A increased from 5.44 A): 1 out of 3 assignments used, quality = 0.83: QD2 LEU 119 + HB THR 115 OK 83 83 100 100 5.4-5.8 2.1/10296=94, ~10186=52...(12) QD1 LEU 103 - HB THR 115 far 0 63 0 - 6.9-8.2 QD1 LEU 53 - HB THR 115 far 0 90 0 - 9.7-12.1 Violated in 2 structures by 0.00 A. Peak 10194 from aliabs.peaks (0.97, 1.13, 21.32 ppm; 2.75 A): 2 out of 5 assignments used, quality = 0.99: QG1 VAL 112 + QG2 THR 115 OK 99 100 100 99 1.6-2.9 11499=72, 2.1/11553=48...(20) QD1 LEU 119 + QG2 THR 115 OK 48 63 100 77 2.5-2.9 2.1/10195=31...(12) QD2 LEU 53 - QG2 THR 115 far 0 100 0 - 6.4-7.7 QG1 VAL 57 - QG2 THR 115 far 0 73 0 - 8.7-9.3 QG1 VAL 105 - QG2 THR 115 far 0 95 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 10195 from aliabs.peaks (0.76, 1.13, 21.32 ppm; 4.03 A increased from 3.58 A): 1 out of 5 assignments used, quality = 0.64: QD2 LEU 119 + QG2 THR 115 OK 64 65 100 97 3.6-4.0 ~10296=41, ~10296=39...(19) QD1 LEU 103 - QG2 THR 115 far 8 85 10 - 4.4-5.6 QD2 LEU 103 - QG2 THR 115 far 0 60 0 - 6.2-7.3 QD2 LEU 122 - QG2 THR 115 far 0 73 0 - 7.6-10.1 QG1 VAL 63 - QG2 THR 115 far 0 83 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 10196 from aliabs.peaks (1.37, 1.13, 21.32 ppm; 3.28 A): 1 out of 3 assignments used, quality = 0.87: QB ALA 109 + QG2 THR 115 OK 87 92 100 94 1.9-3.5 10191/2.1=58...(12) QB ALA 108 - QG2 THR 115 far 0 99 0 - 5.4-7.0 QB ALA 110 - QG2 THR 115 far 0 97 0 - 5.7-7.7 Violated in 3 structures by 0.03 A. Peak 10200 from aliabs.peaks (2.04, 4.97, 51.55 ppm; 4.58 A increased from 4.07 A): 2 out of 4 assignments used, quality = 1.00: HG2 PRO 117 + HA ASN 116 OK 96 96 100 100 4.3-4.5 2.3/3667=93, 2.3/3670=92...(21) HG3 PRO 117 + HA ASN 116 OK 96 96 100 100 4.3-4.4 2.3/3667=93, 2.3/3670=92...(20) HB VAL 118 - HA ASN 116 far 0 68 0 - 5.2-5.7 HG3 PRO 113 - HA ASN 116 far 0 87 0 - 7.6-9.8 Violated in 0 structures by 0.00 A. Peak 10201 from aliabs.peaks (2.06, 2.85, 38.65 ppm; 5.15 A): 1 out of 6 assignments used, quality = 1.00: HB VAL 118 + HB2 ASN 116 OK 100 100 100 100 4.3-4.7 10204/3.5=68...(15) HG2 PRO 117 - HB2 ASN 116 far 0 97 0 - 5.8-6.2 HG3 PRO 117 - HB2 ASN 116 far 0 97 0 - 6.4-6.8 HG3 PRO 113 - HB2 ASN 116 far 0 100 0 - 7.0-9.6 HB2 GLU 102 - HB2 ASN 116 far 0 85 0 - 7.8-11.5 HB2 LEU 62 - HB2 ASN 116 far 0 100 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 10206 from aliabs.peaks (3.86, 2.85, 38.65 ppm; 5.10 A): 1 out of 2 assignments used, quality = 1.00: HD2 PRO 117 + HB2 ASN 116 OK 100 100 100 100 4.6-5.0 4.8=100 HA2 GLY 114 - HB2 ASN 116 far 4 71 5 - 5.7-6.6 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 8 assignments used, quality = 1.00: HD3 PRO 117 + HB2 ASN 116 OK 100 100 100 100 3.7-4.2 4.8=97, 3670/3.0=87...(29) HB3 SER 107 - HB2 ASN 116 poor 15 99 30 52 5.1-7.4 10094/10226=17...(6) HB3 SER 106 - HB2 ASN 116 far 7 68 10 - 5.1-8.3 HB2 SER 106 - HB2 ASN 116 far 0 95 0 - 5.7-7.4 HA2 GLY 111 - HB2 ASN 116 far 0 78 0 - 6.8-9.6 HD3 PRO 113 - HB2 ASN 116 far 0 89 0 - 7.8-10.0 HA3 GLY 111 - HB2 ASN 116 far 0 99 0 - 8.0-10.6 HA LEU 100 - HB2 ASN 116 far 0 97 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 10208 from aliabs.peaks (3.98, 2.93, 38.65 ppm; 5.12 A): 1 out of 6 assignments used, quality = 0.73: HD3 PRO 117 + HB3 ASN 116 OK 73 73 100 100 2.2-3.5 4.8=100 HB3 SER 107 - HB3 ASN 116 poor 17 89 40 47 4.9-7.4 3.0/10209=16...(7) HB2 SER 106 - HB3 ASN 116 poor 6 97 25 27 5.1-6.7 10210/3.5=9...(6) HB3 SER 106 - HB3 ASN 116 lone 3 100 30 8 4.9-7.8 10210/3.5=4...(3) HB3 SER 99 - HB3 ASN 116 far 0 81 0 - 7.4-8.6 HA LEU 100 - HB3 ASN 116 far 0 96 0 - 8.2-9.6 Violated in 0 structures by 0.00 A. Peak 10209 from aliabs.peaks (4.37, 2.93, 38.65 ppm; 5.25 A): 2 out of 4 assignments used, quality = 1.00: HA PRO 117 + HB3 ASN 116 OK 99 99 100 100 4.8-5.3 3.6/10239=71...(14) HA SER 107 + HB3 ASN 116 OK 34 85 85 47 4.0-6.1 3.0/10208=14, ~10207=13...(8) HA THR 115 - HB3 ASN 116 far 0 60 0 - 6.3-6.5 HA PRO 113 - HB3 ASN 116 far 0 100 0 - 6.9-10.3 Violated in 0 structures by 0.00 A. Peak 10215 from aliabs.peaks (3.85, 2.93, 38.65 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 117 + HB3 ASN 116 OK 100 100 100 100 3.5-4.6 10239=99, 3667/3.0=87...(25) Violated in 0 structures by 0.00 A. Peak 10224 from aliabs.peaks (1.87, 2.85, 38.65 ppm; 5.52 A increased from 5.19 A): 1 out of 1 assignment used, quality = 0.99: HB3 LEU 119 + HB2 ASN 116 OK 99 99 100 100 4.8-6.0 3.0/10227=87...(26) Violated in 1 structures by 0.02 A. Peak 10225 from aliabs.peaks (1.61, 2.85, 38.65 ppm; 5.05 A): 1 out of 3 assignments used, quality = 0.99: HG LEU 119 + HB2 ASN 116 OK 99 99 100 100 3.1-4.1 2.1/10227=90...(30) HG LEU 62 - HB2 ASN 116 far 0 60 0 - 8.2-9.3 HG LEU 122 - HB2 ASN 116 far 0 97 0 - 8.7-11.1 Violated in 0 structures by 0.00 A. Peak 10226 from aliabs.peaks (1.38, 2.85, 38.65 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.99: QB ALA 109 + HB2 ASN 116 OK 99 99 100 100 3.2-4.4 10220/3.5=91...(12) QB ALA 108 - HB2 ASN 116 lone 9 100 70 14 6.8-8.1 10104/10207=5...(3) QB ALA 110 - HB2 ASN 116 far 0 100 0 - 8.2-9.8 Violated in 0 structures by 0.00 A. Peak 10227 from aliabs.peaks (0.95, 2.85, 38.65 ppm; 4.33 A): 1 out of 5 assignments used, quality = 0.98: QD1 LEU 119 + HB2 ASN 116 OK 98 98 100 100 1.8-3.0 10295/1.8=86, 10294=83...(32) QG1 VAL 112 - HB2 ASN 116 poor 17 87 20 - 4.4-6.1 QG2 VAL 112 - HB2 ASN 116 far 0 73 0 - 5.1-6.0 QD2 LEU 53 - HB2 ASN 116 far 0 85 0 - 6.7-8.4 QG1 VAL 105 - HB2 ASN 116 far 0 99 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 10228 from aliabs.peaks (0.95, 2.93, 38.65 ppm; 4.30 A): 1 out of 5 assignments used, quality = 0.98: QD1 LEU 119 + HB3 ASN 116 OK 98 98 100 100 1.8-3.7 10295=97, 10294/1.8=85...(27) QG1 VAL 112 - HB3 ASN 116 far 0 87 0 - 5.9-7.4 QD2 LEU 53 - HB3 ASN 116 far 0 85 0 - 6.3-8.7 QG2 VAL 112 - HB3 ASN 116 far 0 73 0 - 6.5-7.5 QG1 VAL 105 - HB3 ASN 116 far 0 99 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 10232 from aliabs.peaks (0.80, 4.97, 51.55 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: QD2 LEU 119 + HA ASN 116 OK 99 99 100 100 5.7-5.9 2.1/11583=100...(36) QD1 LEU 103 + HA ASN 116 OK 90 90 100 100 5.5-6.1 10219/4.6=89...(11) QD2 LEU 122 - HA ASN 116 far 0 97 0 - 8.0-10.4 QD1 LEU 122 - HA ASN 116 far 0 98 0 - 9.5-11.2 QD1 LEU 53 - HA ASN 116 far 0 100 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 10238 from aliabs.peaks (2.83, 3.86, 50.85 ppm; 5.16 A increased from 4.35 A): 2 out of 3 assignments used, quality = 0.98: HB2 ASN 116 + HD2 PRO 117 OK 92 92 100 100 4.6-5.0 4.8=100 HB3 ASN 85 + HD2 PRO 81 OK 75 87 100 86 3.7-5.2 11236/4.0=80, ~9789=19...(4) HB2 ASN 13 - HD2 PRO 81 far 0 84 0 - 9.3-42.8 Violated in 0 structures by 0.00 A. Peak 10239 from aliabs.peaks (2.93, 3.86, 50.85 ppm; 4.63 A): 1 out of 7 assignments used, quality = 1.00: HB3 ASN 116 + HD2 PRO 117 OK 100 100 100 100 3.5-4.6 10215=90, 3.0/3667=85...(25) HE2 LYS 39 - HD2 PRO 81 poor 19 97 20 - 4.6-9.7 HE3 LYS 86 - HD2 PRO 81 far 0 76 0 - 5.3-9.8 HE3 LYS 39 - HD2 PRO 81 far 0 97 0 - 5.7-9.7 HE3 LYS 19 - HD2 PRO 81 far 0 73 0 - 7.9-40.1 HD2 ARG 135 - HD2 PRO 81 far 0 95 0 - 8.5-10.5 HE2 LYS 19 - HD2 PRO 81 far 0 73 0 - 9.2-40.0 Violated in 0 structures by 0.00 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 3.7-4.2 4.8=88, 3.0/3670=84...(29) HB2 ASN 116 - HD3 PRO 113 far 0 63 0 - 7.8-10.0 Violated in 0 structures by 0.00 A. Peak 10241 from aliabs.peaks (2.94, 3.95, 50.85 ppm; 4.73 A): 1 out of 2 assignments used, quality = 0.97: HB3 ASN 116 + HD3 PRO 117 OK 97 97 100 100 2.2-3.5 4.8=95, 3.0/3670=86...(26) HB3 ASN 116 - HD3 PRO 113 far 0 67 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 10242 from aliabs.peaks (2.80, 2.36, 31.74 ppm; 4.17 A): 0 out of 5 assignments used, quality = 0.00: HB3 ASN 120 - HB2 PRO 117 far 0 100 0 - 5.1-5.4 HB2 ASN 121 - HB2 PRO 117 far 0 100 0 - 6.0-8.3 HB2 ASN 120 - HB2 PRO 117 far 0 100 0 - 6.4-6.9 HB3 ASN 85 - HB VAL 77 far 0 32 0 - 7.6-8.4 HB2 ASN 13 - HB VAL 77 far 0 34 0 - 9.9-37.5 Violated in 20 structures by 0.68 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 4.4-4.4 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 4.8-4.8 3667/3.0=92, 3670/3.0=92...(18) Violated in 0 structures by 0.00 A. Peak 10249 from aliabs.peaks (4.97, 2.01, 31.74 ppm; 5.62 A increased from 5.29 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + HB3 PRO 117 OK 100 100 100 100 5.5-5.6 3667/3.0=98, 3670/3.0=98...(18) Violated in 0 structures by 0.00 A. Peak 10252 from aliabs.peaks (0.94, 3.86, 50.85 ppm; 4.96 A increased from 4.67 A): 1 out of 6 assignments used, quality = 0.99: QD1 LEU 119 + HD2 PRO 117 OK 99 100 100 99 4.7-5.0 11583/3667=65...(9) QG1 VAL 112 - HD2 PRO 117 far 0 57 0 - 7.3-8.3 QG2 ILE 37 - HD2 PRO 81 far 0 98 0 - 7.6-8.7 QG2 VAL 112 - HD2 PRO 117 far 0 96 0 - 8.4-9.0 QD1 LEU 62 - HD2 PRO 117 far 0 78 0 - 8.7-9.2 QG1 VAL 20 - HD2 PRO 81 far 0 61 0 - 10.0-29.8 Violated in 1 structures by 0.00 A. Peak 10253 from aliabs.peaks (0.83, 3.86, 50.85 ppm; 4.64 A): 3 out of 6 assignments used, quality = 1.00: QG1 VAL 133 + HD2 PRO 81 OK 86 95 100 90 3.6-5.1 2.1/11757=61...(10) QG2 ILE 80 + HD2 PRO 81 OK 86 86 100 100 2.0-3.0 4.0=100 HG13 ILE 80 + HD2 PRO 81 OK 80 80 100 100 2.3-3.5 4.1/2478=63...(30) QG2 ILE 129 - HD2 PRO 81 far 0 96 0 - 7.5-8.3 QD1 LEU 122 - HD2 PRO 117 far 0 71 0 - 9.7-11.4 QD1 LEU 98 - HD2 PRO 117 far 0 63 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 10257 from aliabs.peaks (4.96, 2.05, 27.30 ppm; 4.58 A increased from 3.86 A): 2 out of 3 assignments used, quality = 1.00: HA ASN 116 + HG2 PRO 117 OK 100 100 100 100 4.3-4.5 3667/2.3=93, 3670/2.3=92...(21) HA ASN 116 + HG3 PRO 117 OK 100 100 100 100 4.3-4.4 3667/2.3=93, 3670/2.3=92...(20) HA ASN 116 - HG3 PRO 113 far 0 87 0 - 7.6-9.8 Violated in 0 structures by 0.00 A. Peak 10258 from aliabs.peaks (1.62, 2.06, 31.39 ppm; 4.49 A): 1 out of 6 assignments used, quality = 1.00: HG LEU 119 + HB VAL 118 OK 100 100 100 100 3.3-3.6 2.1/11624=76...(14) HG LEU 122 - HB VAL 118 far 9 93 10 - 4.9-7.1 HG LEU 62 - HB VAL 118 far 0 68 0 - 7.7-9.2 HB2 LEU 122 - HB VAL 118 far 0 97 0 - 7.7-8.4 HB2 LEU 123 - HB VAL 118 far 0 57 0 - 8.6-9.3 HB2 LEU 98 - HB VAL 118 far 0 65 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 10259 from aliabs.peaks (1.38, 2.06, 31.39 ppm; 4.32 A): 0 out of 3 assignments used, quality = 0.00: QB ALA 109 - HB VAL 118 far 0 96 0 - 6.2-7.3 HB3 LEU 100 - HB VAL 118 far 0 100 0 - 8.1-9.3 QB ALA 108 - HB VAL 118 far 0 100 0 - 8.1-9.6 Violated in 20 structures by 2.05 A. Peak 10260 from aliabs.peaks (1.82, 0.89, 21.66 ppm; 4.00 A): 2 out of 3 assignments used, quality = 0.84: HB3 LEU 103 + QG1 VAL 118 OK 71 71 100 100 2.7-3.2 3.0/11836=63, ~10263=52...(26) HB3 LEU 122 + QG1 VAL 118 OK 46 63 80 92 3.7-4.7 3.5/11748=45...(16) HB2 LEU 100 - QG1 VAL 118 far 0 100 0 - 5.1-5.7 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 5 assignments used, quality = 1.00: HB2 LEU 103 + QG1 VAL 118 OK 99 99 100 100 1.7-1.8 10263/2.1=57...(29) HG LEU 103 + QG1 VAL 118 OK 81 96 85 100 3.7-4.3 2.1/11612=43, ~11611=38...(23) HB2 LEU 119 - QG1 VAL 118 far 0 68 0 - 5.1-5.5 HG LEU 49 - QG1 VAL 118 far 0 100 0 - 8.1-8.9 HG LEU 123 - QG1 VAL 118 far 0 100 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 10262 from aliabs.peaks (1.38, 0.89, 21.66 ppm; 3.59 A): 0 out of 8 assignments used, quality = 0.00: HB3 LEU 100 - QG1 VAL 118 far 0 98 0 - 5.1-5.9 QB ALA 109 - QG1 VAL 118 far 0 100 0 - 6.4-7.5 HB2 LEU 96 - QG1 VAL 118 far 0 100 0 - 6.6-7.3 HG LEU 96 - QG1 VAL 118 far 0 92 0 - 7.0-7.9 QB ALA 108 - QG1 VAL 118 far 0 100 0 - 7.5-8.8 HG3 LYS 95 - QG1 VAL 118 far 0 100 0 - 8.3-9.9 HG2 LYS 95 - QG1 VAL 118 far 0 99 0 - 8.4-10.1 QB ALA 110 - QG1 VAL 118 far 0 100 0 - 9.5-11.3 Violated in 20 structures by 1.40 A. Peak 10263 from aliabs.peaks (1.58, 1.00, 22.19 ppm; 3.71 A): 1 out of 4 assignments used, quality = 0.99: HB2 LEU 103 + QG2 VAL 118 OK 99 99 100 100 3.1-3.7 3.2/10265=57...(36) HG LEU 103 - QG2 VAL 118 far 0 73 0 - 4.8-5.6 HG LEU 122 - QG2 VAL 118 far 0 81 0 - 5.1-6.5 HB2 LEU 122 - QG2 VAL 118 far 0 71 0 - 7.4-8.0 Violated in 0 structures by 0.00 A. Peak 10264 from aliabs.peaks (1.38, 1.00, 22.19 ppm; 3.64 A): 0 out of 8 assignments used, quality = 0.00: QB ALA 109 - QG2 VAL 118 far 0 98 0 - 6.1-7.2 QB ALA 108 - QG2 VAL 118 far 0 100 0 - 6.8-8.3 HB3 LEU 100 - QG2 VAL 118 far 0 100 0 - 6.9-7.8 HB2 LEU 96 - QG2 VAL 118 far 0 100 0 - 8.6-9.4 HG2 LYS 95 - QG2 VAL 118 far 0 97 0 - 8.7-11.0 HG3 LYS 95 - QG2 VAL 118 far 0 99 0 - 8.8-10.7 HG LEU 96 - QG2 VAL 118 far 0 85 0 - 9.0-9.9 QB ALA 110 - QG2 VAL 118 far 0 100 0 - 9.8-11.3 Violated in 20 structures by 1.98 A. Peak 10265 from aliabs.peaks (0.78, 1.00, 22.19 ppm; 3.52 A increased from 3.13 A): 1 out of 8 assignments used, quality = 1.00: QD1 LEU 103 + QG2 VAL 118 OK 100 100 100 100 2.5-3.7 11611/2.1=66...(32) QD2 LEU 122 - QG2 VAL 118 far 15 100 15 - 3.8-5.4 QD1 LEU 122 - QG2 VAL 118 far 0 71 0 - 4.6-6.7 QD2 LEU 119 - QG2 VAL 118 far 0 99 0 - 5.4-5.8 QG1 VAL 63 - QG2 VAL 118 far 0 100 0 - 6.7-7.5 QD1 LEU 96 - QG2 VAL 118 far 0 99 0 - 7.0-7.8 QD1 LEU 53 - QG2 VAL 118 far 0 96 0 - 7.3-8.2 QD2 LEU 49 - QG2 VAL 118 far 0 90 0 - 7.6-8.3 Violated in 1 structures by 0.01 A. Peak 10266 from aliabs.peaks (2.33, 1.00, 22.19 ppm; 3.57 A): 1 out of 2 assignments used, quality = 0.99: HG2 GLU 102 + QG2 VAL 118 OK 99 100 100 99 2.5-3.6 1.8/10267=61...(12) HB2 PRO 117 - QG2 VAL 118 far 0 71 0 - 5.0-5.3 Violated in 4 structures by 0.01 A. Peak 10267 from aliabs.peaks (2.50, 1.00, 22.19 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: HG3 GLU 102 + QG2 VAL 118 OK 100 100 100 100 1.9-4.5 1.8/10266=86...(13) HG3 GLN 104 - QG2 VAL 118 far 0 60 0 - 7.3-8.5 Violated in 3 structures by 0.04 A. Peak 10268 from aliabs.peaks (2.33, 0.89, 21.66 ppm; 4.53 A increased from 4.03 A): 1 out of 2 assignments used, quality = 1.00: HG2 GLU 102 + QG1 VAL 118 OK 100 100 100 100 3.0-4.4 10266/2.1=92...(16) HB2 PRO 117 - QG1 VAL 118 far 0 71 0 - 6.9-7.0 Violated in 0 structures by 0.00 A. Peak 10269 from aliabs.peaks (2.51, 0.89, 21.66 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: HG3 GLU 102 + QG1 VAL 118 OK 100 100 100 100 2.3-4.7 10267/2.1=81...(16) Violated in 3 structures by 0.03 A. Peak 10270 from aliabs.peaks (3.98, 1.00, 22.19 ppm; 3.81 A increased from 3.39 A): 3 out of 8 assignments used, quality = 0.97: HB3 SER 99 + QG2 VAL 118 OK 90 93 100 97 3.3-3.8 11475/2.1=57...(11) HB2 SER 106 + QG2 VAL 118 OK 55 89 80 78 3.1-5.6 10105=29, 10096/10265=25...(13) HB3 SER 106 + QG2 VAL 118 OK 26 100 40 64 3.6-5.2 1.8/10105=35, ~11854=13...(10) HB3 SER 107 - QG2 VAL 118 poor 18 73 25 - 3.9-6.8 HA LEU 100 - QG2 VAL 118 far 0 85 0 - 4.9-5.7 HA SER 60 - QG2 VAL 118 far 0 68 0 - 8.2-9.7 HB3 SER 124 - QG2 VAL 118 far 0 60 0 - 9.1-9.7 HB2 SER 124 - QG2 VAL 118 far 0 99 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 10271 from aliabs.peaks (4.24, 1.00, 22.19 ppm; 4.11 A): 1 out of 2 assignments used, quality = 0.79: HA SER 99 + QG2 VAL 118 OK 79 81 100 98 3.1-3.5 11599/2.1=73, ~11475=36...(12) HB THR 115 - QG2 VAL 118 far 0 65 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 10272 from aliabs.peaks (4.39, 1.00, 22.19 ppm; 5.02 A increased from 4.23 A): 2 out of 6 assignments used, quality = 0.91: HA PRO 117 + QG2 VAL 118 OK 76 76 100 100 4.8-5.1 3.6/3748=89...(12) HA SER 107 + QG2 VAL 118 OK 63 100 80 79 4.0-6.5 11542/2.1=28...(10) HA HIS 5 - QG2 VAL 118 far 0 73 0 - 7.4-45.6 HA THR 115 - QG2 VAL 118 far 0 96 0 - 8.4-8.8 HA PRO 113 - QG2 VAL 118 far 0 78 0 - 9.5-11.4 HA SER 9 - QG2 VAL 118 far 0 99 0 - 9.7-39.9 Violated in 0 structures by 0.00 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 4.6-5.1 10251/3748=93...(15) Violated in 0 structures by 0.00 A. Peak 10290 from aliabs.peaks (2.82, 1.62, 27.00 ppm; 5.25 A): 1 out of 14 assignments used, quality = 0.48: HB2 ASN 121 + HG LEU 122 OK 48 49 100 99 3.5-5.4 ~11092=55, 7724/4.6=54...(15) HB3 ASN 85 - HG2 ARG 84 far 10 64 15 - 4.3-8.0 HB2 ASN 13 - HG2 ARG 84 far 3 64 5 - 5.0-47.7 HB2 ASN 13 - HG3 ARG 84 far 3 53 5 - 4.2-49.3 HB3 ASN 85 - HG3 ARG 84 far 0 54 0 - 5.9-7.8 HB3 ASN 120 - HG LEU 119 far 0 87 0 - 6.2-6.5 HB3 ASN 120 - HG LEU 122 far 0 54 0 - 6.4-9.6 HB2 ASN 121 - HG LEU 119 far 0 81 0 - 6.5-8.0 HB2 ASN 120 - HG LEU 122 far 0 57 0 - 6.6-9.8 HB3 ASP 71 - HG LEU 70 far 0 84 0 - 6.6-7.4 HB2 ASN 120 - HG LEU 119 far 0 90 0 - 7.4-7.9 HB2 ASN 13 - HG LEU 70 far 0 92 0 - 8.1-36.5 HB3 ASP 71 - HG3 ARG 23 far 0 95 0 - 8.5-26.0 HB3 ASP 64 - HG LEU 122 far 0 55 0 - 10.0-12.4 Violated in 4 structures by 0.02 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 4.9-5.6 1.8/10303=96...(10) HB3 ASN 120 + HB3 LEU 119 OK 87 87 100 100 3.9-4.4 3.8/7665=84, 10303=83...(12) HB2 ASN 121 - HB3 LEU 119 far 0 81 0 - 6.2-7.8 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 1 assignment used, quality = 0.95: HB3 ASN 116 + QD2 LEU 119 OK 95 100 95 100 3.6-5.4 10295/2.1=85, ~10294=60...(24) Violated in 3 structures by 0.06 A. Peak 10293 from aliabs.peaks (2.82, 0.79, 23.00 ppm; 4.87 A): 0 out of 4 assignments used, quality = 0.00: HB3 ASN 120 - QD2 LEU 119 far 0 87 0 - 6.2-6.6 HB2 ASN 120 - QD2 LEU 119 far 0 90 0 - 6.9-7.6 HB2 ASN 121 - QD2 LEU 119 far 0 81 0 - 7.2-8.2 HB3 ASP 64 - QD2 LEU 119 far 0 89 0 - 9.2-9.9 Violated in 20 structures by 0.95 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 1.8-3.0 1.8/10295=75, 10227=58...(32) Violated in 0 structures by 0.00 A. Peak 10295 from aliabs.peaks (2.93, 0.94, 25.07 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: HB3 ASN 116 + QD1 LEU 119 OK 100 100 100 100 1.8-3.7 1.8/10294=74, 10228=69...(27) Violated in 0 structures by 0.00 A. Peak 10296 from aliabs.peaks (4.28, 0.94, 25.07 ppm; 4.41 A increased from 3.72 A): 1 out of 5 assignments used, quality = 0.97: HB THR 115 + QD1 LEU 119 OK 97 97 100 100 4.2-4.4 ~10195=53, 10192=47...(12) HA ALA 109 - QD1 LEU 119 far 0 100 0 - 6.2-7.6 HA ALA 110 - QD1 LEU 119 far 0 100 0 - 8.0-9.2 HA ALA 108 - QD1 LEU 119 far 0 100 0 - 8.2-9.5 HA GLN 61 - QD1 LEU 119 far 0 100 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 10300 from aliabs.peaks (4.02, 2.80, 37.41 ppm; 4.64 A increased from 4.13 A): 1 out of 13 assignments used, quality = 0.94: HB3 SER 124 + HB2 ASN 120 OK 94 97 100 96 4.2-4.7 10355=89, 7770/10352=54 HD3 PRO 81 - HB3 ASN 85 far 0 63 0 - 5.5-6.8 HA LEU 119 - HB3 ASN 120 far 0 100 0 - 5.6-5.7 HB3 SER 124 - HB3 ASN 120 far 0 97 0 - 5.7-6.2 HA LEU 119 - HB2 ASN 120 far 0 100 0 - 6.3-6.6 HA ARG 135 - HB3 ASN 85 far 0 72 0 - 7.1-7.9 HB3 SER 99 - HB3 ASN 120 far 0 70 0 - 7.2-8.2 HB3 SER 99 - HB2 ASN 120 far 0 71 0 - 7.7-9.2 HA LEU 122 - HB2 ASN 120 far 0 89 0 - 7.7-8.5 HA LEU 122 - HB3 ASN 120 far 0 88 0 - 8.1-8.4 HA SER 50 - HB2 ASN 120 far 0 68 0 - 8.3-9.5 HA SER 50 - HB3 ASN 120 far 0 68 0 - 9.4-10.2 HA LEU 103 - HB3 ASN 120 far 0 98 0 - 9.9-10.8 Violated in 1 structures by 0.00 A. Peak 10301 from aliabs.peaks (2.36, 2.80, 37.41 ppm; 5.42 A increased from 4.34 A): 1 out of 5 assignments used, quality = 0.99: HB2 PRO 117 + HB3 ASN 120 OK 99 99 100 100 5.1-5.4 2.3/11625=99, 10242=99...(6) HB2 PRO 117 - HB2 ASN 120 far 0 99 0 - 6.4-6.9 HB VAL 77 - HB3 ASN 85 far 0 46 0 - 7.6-8.4 HG2 GLN 127 - HB2 ASN 120 far 0 81 0 - 9.0-11.0 HG2 GLU 128 - HB3 ASN 85 far 0 48 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 10302 from aliabs.peaks (2.03, 2.80, 37.41 ppm; 4.46 A increased from 4.20 A): 2 out of 17 assignments used, quality = 0.87: HG3 ARG 135 + HB3 ASN 85 OK 73 73 100 100 3.7-4.6 11785=98, ~9800=33...(13) HB3 PRO 117 + HB3 ASN 120 OK 51 65 80 99 4.8-5.2 2.3/11561=88...(7) HG3 PRO 81 - HB3 ASN 85 poor 15 60 25 - 3.9-7.1 HG2 PRO 81 - HB3 ASN 85 poor 12 40 30 - 4.2-7.3 HB3 PRO 117 - HB2 ASN 120 far 0 65 0 - 5.9-6.8 HG2 PRO 117 - HB3 ASN 120 far 0 86 0 - 6.5-6.8 HB2 PRO 81 - HB3 ASN 85 far 0 36 0 - 6.7-8.0 HG3 PRO 117 - HB3 ASN 120 far 0 86 0 - 7.0-7.3 HG2 ARG 90 - HB3 ASN 85 far 0 67 0 - 7.4-8.6 HG2 PRO 117 - HB2 ASN 120 far 0 87 0 - 7.9-8.5 QE MET 11 - HB3 ASN 85 far 0 71 0 - 7.9-40.1 HG3 PRO 117 - HB2 ASN 120 far 0 87 0 - 8.4-9.0 QE MET 11 - HB2 ASN 120 far 0 99 0 - 9.0-45.1 HB2 GLN 134 - HB3 ASN 85 far 0 64 0 - 9.1-10.3 HB2 LEU 62 - HB3 ASN 120 far 0 73 0 - 9.5-10.5 HB3 MET 11 - HB3 ASN 85 far 0 52 0 - 9.8-45.2 HB2 GLN 127 - HB2 ASN 120 far 0 92 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 10303 from aliabs.peaks (1.86, 2.80, 37.41 ppm; 4.46 A): 1 out of 5 assignments used, quality = 0.93: HB3 LEU 119 + HB3 ASN 120 OK 93 98 100 95 3.9-4.4 7665/3.8=61...(13) HB3 LEU 119 - HB2 ASN 120 far 5 99 5 - 4.9-5.6 HB2 ARG 135 - HB3 ASN 85 far 2 46 5 - 4.2-6.8 HB3 LEU 123 - HB2 ASN 120 far 0 92 0 - 5.3-6.5 HB3 LEU 123 - HB3 ASN 120 far 0 91 0 - 5.9-7.2 Violated in 0 structures by 0.00 A. Peak 10305 from aliabs.peaks (1.64, 2.80, 37.41 ppm; 4.59 A): 2 out of 11 assignments used, quality = 1.00: HB2 LEU 123 + HB2 ASN 120 OK 99 99 100 100 4.0-4.9 3813/3.0=72...(21) HB2 LEU 123 + HB3 ASN 120 OK 74 99 75 100 4.9-5.5 3813/3.0=72, ~3927=47...(21) QB ALA 88 - HB3 ASN 85 poor 16 52 30 - 4.4-5.5 HG2 ARG 84 - HB3 ASN 85 far 11 72 15 - 4.3-8.0 HG3 ARG 84 - HB3 ASN 85 far 0 73 0 - 5.9-7.8 HG LEU 119 - HB3 ASN 120 far 0 82 0 - 6.2-6.5 HD3 LYS 86 - HB3 ASN 85 far 0 67 0 - 6.7-8.0 HD2 LYS 86 - HB3 ASN 85 far 0 63 0 - 6.8-8.4 HG LEU 119 - HB2 ASN 120 far 0 83 0 - 7.4-7.9 HG LEU 43 - HB3 ASN 85 far 0 73 0 - 9.5-10.6 HG LEU 62 - HB3 ASN 120 far 0 100 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 10306 from aliabs.peaks (0.89, 2.80, 37.41 ppm; 4.98 A increased from 4.19 A): 2 out of 6 assignments used, quality = 1.00: QD2 LEU 123 + HB2 ASN 120 OK 99 99 100 100 3.8-4.8 11565/3.0=84...(23) QD2 LEU 123 + HB3 ASN 120 OK 98 98 100 100 4.9-5.6 11565/3.0=84...(22) QG1 VAL 118 - HB3 ASN 120 far 0 100 0 - 6.1-6.4 QD1 LEU 62 - HB3 ASN 120 far 0 75 0 - 6.3-7.1 QD1 LEU 62 - HB2 ASN 120 far 0 76 0 - 6.6-7.8 QG1 VAL 118 - HB2 ASN 120 far 0 100 0 - 6.9-7.4 Violated in 0 structures by 0.00 A. Peak 10307 from aliabs.peaks (0.79, 2.80, 37.41 ppm; 4.88 A): 2 out of 16 assignments used, quality = 0.68: HG13 ILE 80 + HB3 ASN 85 OK 46 46 100 100 3.7-5.1 2.1/11222=84...(16) QG2 ILE 80 + HB3 ASN 85 OK 40 40 100 100 1.9-3.6 3.1/11222=71...(17) QD1 LEU 53 - HB2 ASN 120 far 0 100 0 - 6.1-7.4 QD2 LEU 119 - HB3 ASN 120 far 0 100 0 - 6.2-6.6 QD1 LEU 53 - HB3 ASN 120 far 0 99 0 - 6.3-7.2 QD2 LEU 122 - HB3 ASN 120 far 0 100 0 - 6.4-8.0 QD1 LEU 122 - HB2 ASN 120 far 0 87 0 - 6.9-8.8 QD2 LEU 119 - HB2 ASN 120 far 0 100 0 - 6.9-7.6 QD2 LEU 122 - HB2 ASN 120 far 0 100 0 - 6.9-8.0 QD1 LEU 122 - HB3 ASN 120 far 0 86 0 - 6.9-8.8 QD1 LEU 103 - HB3 ASN 120 far 0 99 0 - 7.0-7.7 QD1 LEU 103 - HB2 ASN 120 far 0 99 0 - 8.1-8.8 QD2 LEU 49 - HB2 ASN 120 far 0 98 0 - 8.8-9.2 QD2 LEU 49 - HB3 ASN 120 far 0 98 0 - 8.9-9.3 QD1 LEU 96 - HB2 ASN 120 far 0 92 0 - 9.4-10.0 QD1 LEU 96 - HB3 ASN 120 far 0 91 0 - 9.5-10.3 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 5.6-6.0 ~7724=57, ~7725=56...(17) HB3 LEU 103 - HA ASN 121 far 0 71 0 - 9.8-10.5 HB2 LEU 100 - HA ASN 121 far 0 100 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 10324 from aliabs.peaks (0.90, 4.48, 56.15 ppm; 5.49 A): 1 out of 6 assignments used, quality = 1.00: QG1 VAL 118 + HA ASN 121 OK 100 100 100 100 5.3-5.6 11602/3.0=86...(33) QD2 LEU 123 - HA ASN 121 far 0 92 0 - 6.2-6.8 QD1 LEU 123 - HA ASN 121 far 0 63 0 - 6.6-7.0 QD2 LEU 98 - HA ASN 121 far 0 92 0 - 7.2-9.8 QD1 LEU 62 - HA ASN 121 far 0 90 0 - 7.4-8.7 QD1 LEU 49 - HA ASN 121 far 0 92 0 - 9.5-10.4 Violated in 1 structures by 0.00 A. Peak 10325 from aliabs.peaks (2.07, 2.98, 37.82 ppm; 6.17 A): 2 out of 6 assignments used, quality = 1.00: HB VAL 118 + HB3 ASN 121 OK 100 100 100 100 4.7-5.7 3.0/3735=99, 11543=99...(27) HG2 PRO 117 + HB3 ASN 121 OK 38 92 45 91 5.1-7.1 3729/3735=45, ~7958=24...(11) HB2 GLU 102 - HB3 ASN 121 far 14 92 15 - 5.9-8.8 HG3 PRO 117 - HB3 ASN 121 far 5 92 5 - 6.5-8.6 HB2 LEU 62 - HB3 ASN 121 far 0 98 0 - 8.3-10.2 HB2 GLU 128 - HB3 ASN 121 far 0 93 0 - 9.8-11.1 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 5 assignments used, quality = 0.73: QG2 VAL 118 + HB3 ASN 121 OK 73 73 100 100 3.7-4.7 3.2/3735=89...(28) QD2 LEU 53 - HB3 ASN 121 far 5 95 5 - 5.9-6.9 QG2 VAL 126 - HB3 ASN 121 far 0 89 0 - 6.2-7.8 QG1 VAL 126 - HB3 ASN 121 far 0 76 0 - 8.5-9.7 QG2 VAL 105 - HB3 ASN 121 far 0 60 0 - 8.9-9.6 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 12 assignments used, quality = 0.92: HB2 LEU 96 + QD2 LEU 122 OK 74 100 80 92 2.7-5.5 3.0/3901=24, 3072=18...(40) HG LEU 96 + QD2 LEU 122 OK 60 90 80 83 3.4-6.0 3.7/3901=20, 3089=16...(28) HB3 LEU 100 + QD2 LEU 122 OK 24 99 25 98 4.1-5.0 ~9487=30, 3.0/3903=23...(37) HB2 LEU 96 - QD1 LEU 53 far 0 84 0 - 5.9-7.9 HG2 LYS 95 - QD2 LEU 122 far 0 99 0 - 6.3-9.5 HG3 LYS 95 - QD2 LEU 122 far 0 100 0 - 6.5-9.5 HG LEU 96 - QD1 LEU 53 far 0 70 0 - 7.4-9.3 QB ALA 109 - QD2 LEU 122 far 0 99 0 - 7.9-10.4 HB3 LEU 100 - QD1 LEU 53 far 0 80 0 - 8.3-9.9 QB ALA 15 - QD2 LEU 122 far 0 100 0 - 8.4-31.9 QB ALA 109 - QD1 LEU 53 far 0 82 0 - 8.4-10.4 QB ALA 108 - QD2 LEU 122 far 0 100 0 - 9.3-11.7 Violated in 4 structures by 0.07 A. Peak 10338 from aliabs.peaks (0.66, 0.97, 25.20 ppm; 3.21 A): 1 out of 3 assignments used, quality = 0.80: QD2 LEU 62 + QD2 LEU 53 OK 80 97 100 83 1.7-3.4 10038/1679=35...(13) QD2 LEU 100 - QD2 LEU 53 far 0 95 0 - 4.7-7.3 QD1 ILE 129 - QD2 LEU 53 far 0 92 0 - 7.7-9.9 Violated in 1 structures by 0.01 A. Peak 10347 from aliabs.peaks (0.67, 0.93, 23.87 ppm; 3.90 A): 0 out of 8 assignments used, quality = 0.00: QD2 LEU 62 - QD1 LEU 123 far 0 98 0 - 5.4-6.0 QD2 LEU 62 - QD1 LEU 48 far 0 49 0 - 6.1-6.7 QD1 ILE 129 - QD1 LEU 123 far 0 89 0 - 6.4-7.2 QD2 LEU 100 - QD1 LEU 123 far 0 97 0 - 7.5-9.0 QD2 LEU 100 - QD1 LEU 48 far 0 47 0 - 7.6-8.4 QD1 LEU 43 - QD1 LEU 48 far 0 48 0 - 8.6-9.4 QD1 LEU 43 - QD1 LEU 123 far 0 97 0 - 9.0-10.6 QD1 ILE 129 - QD1 LEU 48 far 0 41 0 - 9.3-10.1 Violated in 20 structures by 1.11 A. Peak 10348 from aliabs.peaks (0.68, 0.88, 25.15 ppm; 5.40 A increased from 4.32 A): 1 out of 3 assignments used, quality = 0.45: QD2 LEU 62 + QD2 LEU 123 OK 45 100 100 45 5.1-5.4 10038/11846=24...(3) QD2 LEU 100 - QD2 LEU 123 far 0 100 0 - 7.9-9.4 QD1 ILE 129 - QD2 LEU 123 far 0 60 0 - 8.3-8.9 Violated in 1 structures by 0.00 A. Peak 10349 from aliabs.peaks (4.29, 0.88, 25.15 ppm; 5.06 A): 0 out of 0 assignments used, quality = 0.00: Peak 10350 from aliabs.peaks (4.32, 0.73, 25.24 ppm; 4.08 A): 1 out of 1 assignment used, quality = 0.97: HA ASN 59 + QD2 LEU 103 OK 97 97 100 100 3.2-3.9 9362=55, 3.0/11829=53...(26) Violated in 0 structures by 0.00 A. Peak 10355 from aliabs.peaks (2.80, 4.01, 62.31 ppm; 4.77 A increased from 4.49 A): 1 out of 5 assignments used, quality = 0.99: HB2 ASN 120 + HB3 SER 124 OK 99 100 100 99 4.2-4.7 10300=96, 10352/7770=58 HB3 ASN 120 - HB3 SER 124 far 0 100 0 - 5.7-6.2 HB2 ASN 121 - HB3 SER 124 far 0 100 0 - 6.4-7.0 HB2 ASN 120 - HA SER 50 far 0 61 0 - 8.3-9.5 HB3 ASN 120 - HA SER 50 far 0 61 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 10371 from aliabs.peaks (1.61, 4.01, 62.31 ppm; 4.95 A): 0 out of 4 assignments used, quality = 0.00: HB2 LEU 122 - HA SER 50 far 0 61 0 - 6.6-8.6 HG LEU 122 - HB3 SER 124 far 0 99 0 - 7.0-9.8 HB2 LEU 122 - HB3 SER 124 far 0 100 0 - 7.6-8.4 HG LEU 122 - HA SER 50 far 0 59 0 - 7.9-9.2 Violated in 20 structures by 1.20 A. Peak 10373 from aliabs.peaks (0.78, 4.01, 62.31 ppm; 4.24 A): 1 out of 14 assignments used, quality = 0.52: QD1 LEU 53 + HA SER 50 OK 52 52 100 99 1.8-3.9 11639/11636=65...(20) QD2 LEU 49 - HA SER 50 far 0 47 0 - 5.1-5.6 QD1 LEU 122 - HA SER 50 far 0 33 0 - 5.4-8.3 QD1 LEU 53 - HB3 SER 124 far 0 93 0 - 6.0-8.0 QD1 LEU 122 - HB3 SER 124 far 0 65 0 - 6.5-8.9 QD2 LEU 122 - HB3 SER 124 far 0 99 0 - 6.7-7.8 QD1 LEU 96 - HA SER 50 far 0 59 0 - 7.4-8.2 QD2 LEU 122 - HA SER 50 far 0 59 0 - 7.6-8.5 QD2 LEU 49 - HB3 SER 124 far 0 87 0 - 7.8-8.7 QD1 LEU 96 - HB3 SER 124 far 0 99 0 - 8.1-8.7 QD2 LEU 119 - HA SER 50 far 0 56 0 - 8.2-8.6 QD2 LEU 119 - HB3 SER 124 far 0 97 0 - 9.4-10.3 QD1 LEU 103 - HB3 SER 124 far 0 100 0 - 9.9-10.9 QD1 LEU 103 - HA SER 50 far 0 61 0 - 9.9-11.0 Violated in 0 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 2.6-3.9 10444/3986=53...(19) HG LEU 96 - HA CYS 125 far 0 78 0 - 7.1-7.9 Violated in 0 structures by 0.00 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 6.1-6.1 ~10386=70, ~11683=69...(22) QG2 VAL 126 + HA CYS 125 OK 96 96 100 100 5.0-5.3 10386/3.0=91...(19) QD1 LEU 123 + HA CYS 125 OK 41 71 100 58 6.0-6.3 10365/2.9=35...(4) QD2 LEU 53 - HA CYS 125 far 0 90 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 10378 from aliabs.peaks (0.79, 4.36, 62.46 ppm; 4.54 A): 0 out of 6 assignments used, quality = 0.00: QD1 LEU 122 - HA CYS 125 far 0 85 0 - 5.8-8.0 QD1 LEU 96 - HA CYS 125 far 0 93 0 - 5.8-6.2 QD2 LEU 122 - HA CYS 125 far 0 100 0 - 5.9-8.2 QD1 LEU 53 - HA CYS 125 far 0 99 0 - 6.9-9.4 QD2 LEU 49 - HA CYS 125 far 0 97 0 - 7.1-7.6 QD1 LEU 70 - HA CYS 125 far 0 71 0 - 9.2-10.0 Violated in 20 structures by 0.49 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 3.1-4.4 10383/3.0=81...(24) QD1 LEU 42 - HA CYS 125 far 0 96 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 10380 from aliabs.peaks (1.41, 2.73, 26.80 ppm; 4.86 A increased from 4.10 A): 2 out of 4 assignments used, quality = 0.91: QB ALA 92 + HB2 CYS 125 OK 87 87 100 100 4.1-4.8 11396=80, 10376/3.0=72...(15) HG LEU 96 + HB2 CYS 125 OK 33 93 35 100 4.7-6.1 2.1/9986=82...(24) HG2 LYS 95 - HB2 CYS 125 far 4 76 5 - 5.2-7.1 HG3 LYS 95 - HB2 CYS 125 far 0 68 0 - 6.2-7.4 Violated in 0 structures by 0.00 A. Peak 10381 from aliabs.peaks (0.96, 2.73, 26.80 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 126 + HB2 CYS 125 OK 100 100 100 100 3.4-4.2 11684=93, 11683/1.8=78...(20) QG1 VAL 126 - HB2 CYS 125 far 0 100 0 - 5.4-6.1 QD2 LEU 53 - HB2 CYS 125 far 0 100 0 - 6.6-9.1 Violated in 0 structures by 0.00 A. Peak 10382 from aliabs.peaks (0.78, 2.73, 26.80 ppm; 4.30 A increased from 3.62 A): 2 out of 7 assignments used, quality = 1.00: QD1 LEU 96 + HB2 CYS 125 OK 97 97 100 100 3.7-4.4 9986=88, 9987/1.8=78...(27) QD2 LEU 122 + HB2 CYS 125 OK 84 100 85 99 3.4-5.8 10366/7783=53...(19) QD1 LEU 122 - HB2 CYS 125 poor 19 76 25 - 3.3-6.4 QD1 LEU 53 - HB2 CYS 125 far 0 97 0 - 5.4-8.0 QD2 LEU 49 - HB2 CYS 125 far 0 93 0 - 5.4-6.1 QD1 LEU 70 - HB2 CYS 125 far 0 60 0 - 7.3-8.7 QD1 LEU 103 - HB2 CYS 125 far 0 100 0 - 9.1-10.6 Violated in 0 structures by 0.00 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 2.2-4.6 10388/1.8=75...(20) QD2 LEU 100 - HB2 CYS 125 far 0 65 0 - 6.8-8.2 QD2 LEU 62 - HB2 CYS 125 far 0 71 0 - 8.8-10.2 QD1 LEU 42 - HB2 CYS 125 far 0 87 0 - 8.8-10.6 Violated in 4 structures by 0.02 A. Peak 10384 from aliabs.peaks (2.09, 3.20, 26.80 ppm; 5.33 A increased from 4.73 A): 2 out of 4 assignments used, quality = 0.99: HB VAL 126 + HB3 CYS 125 OK 93 93 100 100 4.6-5.4 2.1/10386=95, ~10381=73...(16) HB2 GLU 128 + HB3 CYS 125 OK 89 93 95 100 4.8-5.9 3986/3.0=83, ~3987=63...(17) HG3 GLU 91 - HB3 CYS 125 far 0 100 0 - 7.8-10.7 HB VAL 118 - HB3 CYS 125 far 0 60 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 10385 from aliabs.peaks (1.39, 3.20, 26.80 ppm; 4.45 A): 2 out of 5 assignments used, quality = 0.98: HB2 LEU 96 + HB3 CYS 125 OK 93 93 100 100 2.0-2.8 1.8/11659=65...(31) HG LEU 96 + HB3 CYS 125 OK 65 100 65 100 4.5-5.7 2.1/9987=78, 2.1/9989=67...(23) HG2 LYS 95 - HB3 CYS 125 far 0 99 0 - 5.8-6.6 HG3 LYS 95 - HB3 CYS 125 far 0 98 0 - 5.9-7.2 HB3 LEU 100 - HB3 CYS 125 far 0 81 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 10386 from aliabs.peaks (0.94, 3.20, 26.80 ppm; 4.23 A): 1 out of 6 assignments used, quality = 0.83: QG2 VAL 126 + HB3 CYS 125 OK 83 83 100 100 3.2-3.9 11683=69, 11684/1.8=53...(20) QG1 VAL 126 - HB3 CYS 125 far 0 93 0 - 5.3-5.8 QD1 LEU 123 - HB3 CYS 125 far 0 89 0 - 6.0-6.9 QD2 LEU 53 - HB3 CYS 125 far 0 73 0 - 6.6-9.3 QD1 LEU 49 - HB3 CYS 125 far 0 57 0 - 6.6-7.4 QD1 LEU 62 - HB3 CYS 125 far 0 60 0 - 8.1-10.6 Violated in 0 structures by 0.00 A. Peak 10387 from aliabs.peaks (0.78, 3.20, 26.80 ppm; 4.05 A increased from 3.60 A): 2 out of 7 assignments used, quality = 1.00: QD1 LEU 96 + HB3 CYS 125 OK 99 99 100 100 3.6-4.0 9987=88, 9986/1.8=66...(24) QD2 LEU 122 + HB3 CYS 125 OK 77 100 80 97 3.5-6.9 11828/1.8=54...(17) QD1 LEU 122 - HB3 CYS 125 far 11 71 15 - 3.7-6.0 QD2 LEU 49 - HB3 CYS 125 far 0 90 0 - 5.2-6.4 QD1 LEU 53 - HB3 CYS 125 far 0 96 0 - 5.4-9.1 QD1 LEU 103 - HB3 CYS 125 far 0 100 0 - 9.1-11.1 QD2 LEU 119 - HB3 CYS 125 far 0 99 0 - 9.9-11.8 Violated in 0 structures by 0.00 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 2.2-4.7 11716=94, 10383/1.8=82...(18) QD2 LEU 100 - HB3 CYS 125 far 0 65 0 - 7.2-8.5 QD1 LEU 42 - HB3 CYS 125 far 0 87 0 - 8.6-10.6 QD2 LEU 62 - HB3 CYS 125 far 0 71 0 - 8.6-10.6 Violated in 1 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 4.8-4.8 5.0=100 HA ILE 129 + HA CYS 125 OK 83 83 100 100 6.0-6.5 9952/10376=85...(11) Violated in 0 structures by 0.00 A. Peak 10393 from aliabs.peaks (3.86, 0.96, 22.63 ppm; 4.14 A increased from 3.31 A): 2 out of 5 assignments used, quality = 0.99: HA LEU 123 + QG1 VAL 126 OK 97 99 100 97 3.8-4.1 3917/2.1=65, 3916/4.0=40...(16) HB3 SER 50 + QG1 VAL 126 OK 69 78 95 92 3.4-5.1 3.9/11785=52, ~11668=29...(12) HA LEU 70 - QG1 VAL 126 far 0 73 0 - 7.1-7.6 HA LEU 62 - QG1 VAL 126 far 0 78 0 - 7.2-7.7 HA GLU 40 - QG1 VAL 126 far 0 65 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 10394 from aliabs.peaks (3.98, 0.96, 22.63 ppm; 3.43 A): 1 out of 9 assignments used, quality = 0.86: HA GLN 127 + QG1 VAL 126 OK 86 89 100 97 3.2-3.5 2.9/4020=43...(18) HA SER 50 - QG1 VAL 126 far 0 97 0 - 4.1-4.8 HA THR 65 - QG1 VAL 126 far 0 92 0 - 6.5-7.0 HB3 SER 51 - QG1 VAL 126 far 0 100 0 - 6.6-8.0 HB2 SER 124 - QG1 VAL 126 far 0 100 0 - 7.8-8.1 HB3 SER 124 - QG1 VAL 126 far 0 65 0 - 7.9-8.2 HA GLN 68 - QG1 VAL 126 far 0 89 0 - 8.0-8.7 HB3 SER 99 - QG1 VAL 126 far 0 96 0 - 8.8-9.9 HA LEU 100 - QG1 VAL 126 far 0 81 0 - 8.9-9.5 Violated in 1 structures by 0.00 A. Peak 10395 from aliabs.peaks (4.35, 0.96, 22.63 ppm; 4.65 A): 1 out of 4 assignments used, quality = 0.91: HA ASP 47 + QG1 VAL 126 OK 91 93 100 98 4.0-4.2 2.9/11665=56...(11) HA LEU 69 - QG1 VAL 126 poor 19 100 45 43 4.8-5.5 11688/2.1=21...(4) HA CYS 125 - QG1 VAL 126 far 0 100 0 - 6.1-6.1 HA CYS 73 - QG1 VAL 126 far 0 68 0 - 7.3-8.1 Violated in 0 structures by 0.00 A. Peak 10396 from aliabs.peaks (3.87, 0.96, 24.06 ppm; 3.94 A increased from 3.71 A): 2 out of 5 assignments used, quality = 0.95: HA ALA 46 + QG2 VAL 126 OK 78 78 100 100 3.6-3.9 2.1/11680=61, ~9175=56...(20) HA LEU 123 + QG2 VAL 126 OK 78 85 100 92 3.5-4.2 3917/2.1=46...(9) HA LEU 70 - QG2 VAL 126 far 0 97 0 - 5.8-6.5 HB3 SER 50 - QG2 VAL 126 far 0 98 0 - 5.8-7.1 HB2 SER 94 - QG2 VAL 126 far 0 60 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 10397 from aliabs.peaks (4.01, 0.96, 24.06 ppm; 4.04 A): 1 out of 9 assignments used, quality = 0.63: HA LEU 122 + QG2 VAL 126 OK 63 68 100 92 3.0-3.8 3.0/11678=35...(16) HA SER 50 - QG2 VAL 126 far 0 89 0 - 5.5-6.0 HB3 SER 99 - QG2 VAL 126 far 0 90 0 - 6.3-7.4 HB2 SER 124 - QG2 VAL 126 far 0 73 0 - 6.7-7.5 HA LEU 119 - QG2 VAL 126 far 0 96 0 - 6.8-7.4 HB3 SER 124 - QG2 VAL 126 far 0 100 0 - 7.1-7.7 HA GLN 68 - QG2 VAL 126 far 0 97 0 - 7.5-8.1 HA LYS 95 - QG2 VAL 126 far 0 97 0 - 7.7-8.2 HA GLU 44 - QG2 VAL 126 far 0 63 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 10398 from aliabs.peaks (4.23, 0.96, 24.06 ppm; 5.31 A): 0 out of 5 assignments used, quality = 0.00: HA HIS 67 - QG2 VAL 126 far 0 83 0 - 6.2-6.7 HA SER 124 - QG2 VAL 126 far 0 90 0 - 6.3-6.7 HA SER 94 - QG2 VAL 126 far 0 97 0 - 7.9-8.5 HA SER 99 - QG2 VAL 126 far 0 100 0 - 8.2-8.7 HA SER 51 - QG2 VAL 126 far 0 97 0 - 8.8-9.4 Violated in 20 structures by 0.28 A. Peak 10401 from aliabs.peaks (0.80, 3.43, 67.09 ppm; 4.27 A increased from 4.01 A): 3 out of 7 assignments used, quality = 0.99: QD2 LEU 49 + HA VAL 126 OK 94 100 95 99 4.6-4.9 11681/3.2=60...(13) QD1 LEU 96 + HA VAL 126 OK 75 76 100 99 3.5-4.1 2.1/11807=59, 11452=47...(23) QG2 ILE 129 + HA VAL 126 OK 63 63 100 100 4.0-4.4 2.1/4007=72...(29) QD1 LEU 122 - HA VAL 126 far 5 97 5 - 4.7-6.8 QD2 LEU 122 - HA VAL 126 far 0 97 0 - 5.5-7.7 QD1 LEU 53 - HA VAL 126 far 0 100 0 - 5.7-7.9 QD1 LEU 70 - HA VAL 126 far 0 90 0 - 7.7-8.3 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 2.1-2.9 11639=90, 11692/3.2=54...(26) QD1 LEU 42 - HA VAL 126 far 0 87 0 - 6.3-7.1 QD2 LEU 100 - HA VAL 126 far 0 65 0 - 7.5-8.6 QD2 LEU 62 - HA VAL 126 far 0 71 0 - 8.8-9.3 QD1 LEU 43 - HA VAL 126 far 0 68 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 10403 from aliabs.peaks (1.35, 3.43, 67.09 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.98: QB ALA 46 + HA VAL 126 OK 95 95 100 100 4.0-4.2 10409/3.2=97...(17) HB2 LEU 96 + HA VAL 126 OK 63 63 100 100 3.5-4.2 3.2/11452=92...(27) HB2 LEU 42 - HA VAL 126 far 0 81 0 - 9.6-10.1 QB ALA 15 - HA VAL 126 far 0 60 0 - 10.0-38.2 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 2 assignments used, quality = 1.00: QB ALA 92 + HA VAL 126 OK 99 99 100 100 4.8-5.6 10491/10402=88...(12) HG LEU 96 + HA VAL 126 OK 57 71 80 100 5.5-6.1 2.1/11452=84...(25) 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 3 assignments used, quality = 0.98: HG13 ILE 129 + HA VAL 126 OK 98 98 100 100 1.8-5.0 2.1/10402=99...(27) HG LEU 100 - HA VAL 126 far 0 83 0 - 7.8-8.8 HB2 LEU 48 - HA VAL 126 far 0 68 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 10407 from aliabs.peaks (0.79, 2.11, 31.38 ppm; 3.78 A): 3 out of 9 assignments used, quality = 1.00: QD2 LEU 49 + HB VAL 126 OK 95 97 100 97 3.0-3.5 11613/2.1=53...(11) QD1 LEU 96 + HB VAL 126 OK 86 93 100 92 3.8-4.3 11452/3.0=38, 11453=35...(16) QD1 LEU 53 + HB VAL 126 OK 52 99 75 69 3.2-5.4 9218/11668=29...(11) QD1 LEU 122 - HB VAL 126 far 4 85 5 - 3.2-5.5 QD2 LEU 122 - HB VAL 126 far 0 100 0 - 5.1-6.3 QD1 LEU 70 - HB VAL 126 far 0 71 0 - 9.1-9.7 QD2 LEU 119 - HB VAL 126 far 0 100 0 - 9.2-9.7 QD1 LEU 103 - HB VAL 126 far 0 99 0 - 9.5-10.4 QG1 VAL 63 - HB VAL 126 far 0 100 0 - 9.8-10.5 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 1 assignment used, quality = 0.99: QB ALA 46 + QG1 VAL 126 OK 99 100 100 100 2.3-2.5 9175=94, 11680/2.1=28...(20) Violated in 0 structures by 0.00 A. Peak 10410 from aliabs.peaks (0.66, 0.96, 22.63 ppm; 4.54 A increased from 3.82 A): 1 out of 4 assignments used, quality = 0.92: QD1 ILE 129 + QG1 VAL 126 OK 92 92 100 100 3.9-4.4 11619/2.1=87...(31) QD2 LEU 62 - QG1 VAL 126 far 0 97 0 - 5.9-6.2 QD2 LEU 100 - QG1 VAL 126 far 0 95 0 - 6.0-6.9 QD1 LEU 43 - QG1 VAL 126 far 0 96 0 - 6.9-7.9 Violated in 0 structures by 0.00 A. Peak 10435 from aliabs.peaks (0.91, 2.34, 33.53 ppm; 4.10 A): 1 out of 11 assignments used, quality = 0.97: QD1 LEU 123 + HG2 GLN 127 OK 97 97 100 100 3.1-3.5 11638=95, 10437/1.8=87...(19) QG1 VAL 20 - HG2 GLN 27 far 5 95 5 - 4.7-16.5 QG2 VAL 20 - HG2 GLN 27 far 4 74 5 - 4.7-15.3 QG2 VAL 20 - HG3 GLN 27 far 4 74 5 - 4.4-15.7 QD1 LEU 22 - HG2 GLN 27 far 3 60 5 - 3.5-13.7 QD1 LEU 22 - HG3 GLN 27 far 3 59 5 - 4.1-15.1 QG1 VAL 20 - HG3 GLN 27 far 0 95 0 - 4.8-15.9 QD1 LEU 49 - HG2 GLN 127 far 0 100 0 - 6.0-8.3 QD2 LEU 48 - HG2 GLN 127 far 0 85 0 - 8.9-12.3 QD1 LEU 48 - HG2 GLN 127 far 0 100 0 - 9.5-12.4 QD1 LEU 62 - HG2 GLN 127 far 0 100 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 10436 from aliabs.peaks (0.92, 2.05, 27.71 ppm; 3.93 A): 2 out of 14 assignments used, quality = 0.98: QD1 LEU 123 + HB2 GLN 127 OK 98 98 100 99 2.9-3.7 10437/3.0=64...(16) QG1 VAL 57 + HG3 PRO 58 OK 31 44 70 100 4.4-4.7 9309/2.3=44, 9308/2.3=43...(18) QD1 LEU 119 - HG3 PRO 113 far 0 57 0 - 5.1-7.0 QG2 VAL 112 - HG3 PRO 113 far 0 79 0 - 5.4-5.5 QD1 LEU 49 - HB2 GLN 127 far 0 100 0 - 7.2-8.4 QG2 VAL 112 - HG3 PRO 58 far 0 73 0 - 7.3-8.6 QD1 LEU 62 - HG3 PRO 58 far 0 75 0 - 7.3-8.0 QG2 VAL 63 - HG3 PRO 58 far 0 74 0 - 7.6-8.3 QD1 LEU 62 - HG3 PRO 113 far 0 81 0 - 7.9-10.0 QD1 LEU 119 - HG3 PRO 58 far 0 52 0 - 9.4-10.3 QG1 VAL 57 - HG3 PRO 113 far 0 48 0 - 9.4-11.3 QD2 LEU 48 - HG3 PRO 58 far 0 54 0 - 9.6-12.1 QD2 LEU 48 - HB2 GLN 127 far 0 81 0 - 9.8-12.0 QD1 LEU 62 - HB2 GLN 127 far 0 100 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 10437 from aliabs.peaks (0.92, 2.48, 33.53 ppm; 3.59 A): 1 out of 4 assignments used, quality = 0.99: QD1 LEU 123 + HG3 GLN 127 OK 99 99 100 100 1.8-2.1 11637=80, 11579/1.8=68...(19) QD1 LEU 49 - HG3 GLN 127 far 0 99 0 - 6.3-8.2 QD1 LEU 62 - HG3 GLN 127 far 0 99 0 - 8.6-9.8 QD2 LEU 48 - HG3 GLN 127 far 0 73 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 10442 from aliabs.peaks (1.14, 4.19, 59.09 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 132 + HA GLU 128 OK 100 100 100 100 3.8-4.4 11697/4111=70...(12) QG1 VAL 132 - HA GLU 128 far 0 99 0 - 6.3-7.0 HB3 LEU 62 - HA HIS 67 far 0 44 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 10443 from aliabs.peaks (0.83, 4.19, 59.09 ppm; 5.03 A increased from 4.73 A): 1 out of 8 assignments used, quality = 0.38: QD1 LEU 70 + HA HIS 67 OK 38 39 100 99 4.6-5.0 2.1/11089=72...(13) QD1 LEU 122 - HA HIS 67 poor 18 32 55 - 5.1-7.1 QD2 LEU 49 - HA HIS 67 far 0 22 0 - 5.7-5.8 QG2 ILE 129 - HA GLU 128 far 0 100 0 - 6.1-6.1 QG1 VAL 133 - HA GLU 128 far 0 95 0 - 7.9-9.3 QG2 ILE 129 - HA HIS 67 far 0 46 0 - 9.1-10.1 QD2 LEU 49 - HA GLU 128 far 0 60 0 - 9.3-9.8 QD1 LEU 122 - HA GLU 128 far 0 83 0 - 9.4-11.5 Violated in 3 structures by 0.00 A. Peak 10444 from aliabs.peaks (1.43, 2.08, 28.58 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 92 + HB2 GLU 128 OK 100 100 100 100 2.7-4.0 10446/3.0=69...(13) HG2 LYS 86 - HB3 GLN 82 far 0 56 0 - 7.0-10.2 HG3 LYS 19 - HB3 GLN 82 far 0 65 0 - 9.0-41.1 Violated in 0 structures by 0.00 A. Peak 10445 from aliabs.peaks (1.42, 2.23, 28.58 ppm; 4.84 A): 2 out of 11 assignments used, quality = 0.98: QB ALA 92 + HB3 GLU 128 OK 93 93 100 100 3.5-4.2 10444/1.8=83...(14) HG LEU 96 + HB3 GLU 97 OK 68 68 100 100 4.0-5.1 11363/1.8=74...(32) QB ALA 16 - HB3 GLU 97 far 0 56 0 - 6.6-36.2 HG2 LYS 95 - HB3 GLU 128 far 0 65 0 - 8.0-10.0 HG2 LYS 95 - HB3 GLU 97 far 0 49 0 - 8.4-10.2 QB ALA 109 - HB3 GLU 102 far 0 61 0 - 9.0-10.9 QB ALA 92 - HB3 GLU 97 far 0 74 0 - 9.0-9.5 HG LEU 96 - HB3 GLU 102 far 0 85 0 - 9.4-12.3 HG LEU 96 - HB2 GLN 68 far 0 40 0 - 9.5-10.2 HG3 LYS 19 - HB3 GLU 97 far 0 60 0 - 9.7-39.8 QB ALA 16 - HB3 GLU 102 far 0 72 0 - 10.0-42.8 Violated in 0 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 = 1.00: QB ALA 92 + HG2 GLU 128 OK 100 100 100 100 1.8-3.1 11399=77, 10447/1.8=71...(17) Violated in 0 structures by 0.00 A. Peak 10447 from aliabs.peaks (1.44, 2.42, 34.22 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.99: QB ALA 92 + HG3 GLU 128 OK 99 99 100 99 1.9-3.1 10446/1.8=70, 9949=48...(15) Violated in 0 structures by 0.00 A. Peak 10449 from aliabs.peaks (2.87, 2.42, 34.22 ppm; 5.24 A increased from 4.66 A): 1 out of 3 assignments used, quality = 1.00: HB3 ASP 131 + HG3 GLU 128 OK 100 100 100 100 4.7-5.5 4086/4111=83...(12) HE2 LYS 95 - HG3 GLU 128 far 0 100 0 - 6.4-10.0 HE3 LYS 95 - HG3 GLU 128 far 0 100 0 - 6.9-9.4 Violated in 2 structures by 0.02 A. Peak 10450 from aliabs.peaks (2.77, 2.42, 34.22 ppm; 5.66 A increased from 5.03 A): 1 out of 3 assignments used, quality = 1.00: HB2 ASP 131 + HG3 GLU 128 OK 100 100 100 100 5.0-5.8 1.8/10449=90...(11) HB2 CYS 73 - HG3 GLU 128 far 0 60 0 - 9.1-11.7 HB3 ASN 13 - HG3 GLU 128 far 0 100 0 - 9.8-45.1 Violated in 2 structures by 0.01 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 2.8-3.2 2.9/4116=89...(20) HA VAL 126 + HG3 GLU 128 OK 61 78 80 98 4.5-6.8 5.0/11698=62...(8) Violated in 0 structures by 0.00 A. Peak 10453 from aliabs.peaks (8.27, 0.65, 14.48 ppm; 4.23 A increased from 3.98 A): 2 out of 8 assignments used, quality = 1.00: H LEU 96 + QD1 ILE 129 OK 100 100 100 100 3.6-4.2 9982=83, 3.8/10492=57...(16) H VAL 126 + QD1 ILE 129 OK 99 99 100 100 3.5-4.3 2.9/11639=73...(38) H ASP 131 - QD1 ILE 129 far 0 100 0 - 5.6-6.5 H LEU 69 - QD1 ILE 129 far 0 65 0 - 6.7-7.7 H LEU 123 - QD1 ILE 129 far 0 100 0 - 7.1-8.0 H SER 99 - QD1 ILE 129 far 0 83 0 - 7.5-8.3 H LEU 49 - QD1 ILE 129 far 0 60 0 - 8.2-9.0 H LEU 43 - QD1 ILE 129 far 0 90 0 - 8.5-9.1 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 6 assignments used, quality = 0.76: H VAL 93 + QD1 ILE 129 OK 76 76 100 100 2.6-3.4 2.9/10461=71...(17) H VAL 132 - QD1 ILE 129 far 0 95 0 - 5.6-6.5 H LEU 70 - QD1 ILE 129 far 0 100 0 - 5.9-7.0 H LEU 100 - QD1 ILE 129 far 0 63 0 - 7.8-8.6 H ASP 47 - QD1 ILE 129 far 0 100 0 - 8.2-8.7 H ALA 12 - QD1 ILE 129 far 0 98 0 - 9.9-34.2 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 3 assignments used, quality = 0.78: H ALA 92 + QD1 ILE 129 OK 78 78 100 100 3.9-4.9 3.0/10491=96...(27) H ALA 88 - QD1 ILE 129 far 0 90 0 - 7.8-8.9 H GLN 68 - QD1 ILE 129 far 0 78 0 - 8.9-9.9 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 4.1-4.8 10457/4163=82...(18) Violated in 4 structures by 0.01 A. Peak 10457 from aliabs.peaks (7.40, 0.82, 16.85 ppm; 3.76 A): 1 out of 2 assignments used, quality = 0.99: QE PHE 89 + QG2 ILE 129 OK 99 100 100 100 2.1-2.6 11890/9083=44...(27) QE PHE 89 - QG2 ILE 80 far 0 87 0 - 5.7-6.2 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 3.6-5.0 10457/3.2=100...(21) QE PHE 89 + HA VAL 77 OK 85 85 100 100 3.6-4.4 9676/3.2=99, 9671/3.0=99...(28) 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 3.3-4.1 2.2/10458=97...(22) QD PHE 89 + HA VAL 77 OK 86 86 100 100 2.9-4.1 9677/3.2=100...(28) 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 1.7-2.2 9966=82, 2919/10487=61...(36) HB3 HIS 10 - QD1 ILE 129 far 0 98 0 - 6.9-35.0 HD3 ARG 135 - QD1 ILE 129 far 0 83 0 - 8.5-10.8 HB3 PHE 87 - QD1 ILE 129 far 0 83 0 - 9.3-10.7 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 6 assignments used, quality = 0.00: HB2 CYS 45 - QD1 ILE 129 far 0 99 0 - 7.6-9.6 HD2 ARG 135 - QD1 ILE 129 far 0 100 0 - 8.9-11.3 HE3 LYS 19 - QD1 ILE 129 far 0 60 0 - 9.7-37.7 HE3 LYS 86 - QD1 ILE 129 far 0 63 0 - 9.8-11.5 HE2 LYS 39 - QD1 ILE 129 far 0 100 0 - 9.9-11.0 HE2 LYS 19 - QD1 ILE 129 far 0 60 0 - 10.0-37.3 Violated in 20 structures by 1.30 A. Peak 10463 from aliabs.peaks (2.74, 0.65, 14.48 ppm; 4.76 A increased from 4.23 A): 2 out of 6 assignments used, quality = 1.00: HB2 CYS 125 + QD1 ILE 129 OK 97 97 100 100 2.2-4.6 10383=96, 1.8/10388=83...(20) HB2 CYS 73 + QD1 ILE 129 OK 94 100 95 99 4.2-5.4 9959/10487=79...(15) HB2 ASP 131 - QD1 ILE 129 far 0 65 0 - 6.6-7.8 HB2 TYR 76 - QD1 ILE 129 far 0 76 0 - 7.0-8.4 HB3 ASN 13 - QD1 ILE 129 far 0 63 0 - 8.5-34.8 HB2 ASP 47 - QD1 ILE 129 far 0 73 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 10467 from aliabs.peaks (3.78, 0.65, 14.48 ppm; 5.46 A increased from 4.37 A): 2 out of 8 assignments used, quality = 0.93: HA ARG 90 + QD1 ILE 129 OK 85 85 100 100 4.5-5.4 9900/10487=66...(12) HA SER 130 + QD1 ILE 129 OK 54 99 55 100 5.7-6.1 2.9/7887=82, ~4143=54...(21) HB3 SER 130 - QD1 ILE 129 far 5 99 5 - 5.9-6.7 HA GLU 97 - QD1 ILE 129 far 0 87 0 - 6.4-7.1 HB2 SER 99 - QD1 ILE 129 far 0 85 0 - 7.1-8.5 HA LEU 43 - QD1 ILE 129 far 0 100 0 - 7.4-7.8 HA VAL 133 - QD1 ILE 129 far 0 96 0 - 7.6-8.9 HB3 SER 9 - QD1 ILE 129 far 0 83 0 - 9.2-37.3 Violated in 0 structures by 0.00 A. Peak 10468 from aliabs.peaks (4.07, 0.65, 14.48 ppm; 4.54 A increased from 4.03 A): 3 out of 7 assignments used, quality = 1.00: HA ALA 92 + QD1 ILE 129 OK 93 93 100 100 3.9-4.6 2.1/10491=97, 9942=62...(32) HA PHE 89 + QD1 ILE 129 OK 88 89 100 100 3.6-4.9 2897/10491=63...(21) HA LEU 96 + QD1 ILE 129 OK 69 92 75 100 4.5-5.2 3.0/10492=75...(20) HA LEU 122 - QD1 ILE 129 far 9 60 15 - 5.0-6.0 HB3 SER 74 - QD1 ILE 129 far 0 98 0 - 7.4-9.3 HB2 SER 74 - QD1 ILE 129 far 0 95 0 - 7.4-9.0 HB THR 65 - QD1 ILE 129 far 0 100 0 - 9.3-10.2 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 3.1-4.4 3.0/10383=71...(24) HA LEU 69 - QD1 ILE 129 far 0 92 0 - 5.7-6.7 HA ASP 131 - QD1 ILE 129 far 0 71 0 - 7.9-8.6 HA ASP 47 - QD1 ILE 129 far 0 100 0 - 8.4-9.1 HA TYR 76 - QD1 ILE 129 far 0 68 0 - 9.4-10.1 HA2 GLY 75 - QD1 ILE 129 far 0 99 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 10470 from aliabs.peaks (3.79, 3.45, 66.06 ppm; 6.19 A): 4 out of 8 assignments used, quality = 1.00: HA SER 130 + HA ILE 129 OK 92 92 100 100 4.8-4.9 ~7883=70, ~4143=66...(18) HB3 SER 130 + HA ILE 129 OK 90 90 100 100 5.6-6.2 10507/3.0=71, ~10503=64...(15) HA ARG 90 + HA VAL 77 OK 80 80 100 100 6.3-6.8 11192/2401=98...(13) HA VAL 133 + HA ILE 129 OK 46 83 55 100 6.2-7.1 3.2/10479=91...(14) HA ARG 90 - HA ILE 129 poor 19 97 20 - 6.1-7.2 HA VAL 133 - HA VAL 77 far 10 65 15 - 6.5-7.2 HA LEU 43 - HA ILE 129 far 0 97 0 - 7.5-8.4 HA SER 130 - HA VAL 77 far 0 74 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 10471 from aliabs.peaks (3.89, 3.45, 66.06 ppm; 6.80 A): 1 out of 9 assignments used, quality = 0.86: HA LYS 86 + HA VAL 77 OK 86 86 100 100 3.6-3.9 9818/3.2=100...(21) HA3 GLY 75 - HA VAL 77 poor 17 84 20 - 7.4-7.6 HA LYS 86 - HA ILE 129 far 0 100 0 - 7.6-8.3 HA ALA 46 - HA ILE 129 far 0 99 0 - 7.6-8.6 HA LEU 70 - HA ILE 129 far 0 100 0 - 9.2-10.3 HA LEU 70 - HA VAL 77 far 0 85 0 - 9.7-10.1 HB2 SER 94 - HA ILE 129 far 0 95 0 - 9.7-10.6 HB3 SER 50 - HA ILE 129 far 0 99 0 - 9.8-11.9 HB2 SER 94 - HA VAL 77 far 0 77 0 - 9.9-11.4 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 3.0-3.6 3.1/10459=96...(23) HA CYS 79 + HA VAL 77 OK 86 86 100 100 6.1-6.3 2.9/9702=98, 3.6/9712=91...(12) HA PHE 89 + HA VAL 77 OK 71 71 100 100 6.2-6.7 3.1/9667=85, ~9677=80...(23) HA ILE 80 + HA VAL 77 OK 61 61 100 100 4.3-4.5 3.0/9712=96, 4.2/9725=91...(23) HA ILE 80 - HA ILE 129 far 0 78 0 - 9.8-10.5 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 6.0-6.5 10376/10478=91...(11) HA CYS 73 + HA ILE 129 OK 76 90 85 100 6.4-7.7 11142/3.2=83...(11) HA CYS 73 + HA VAL 77 OK 73 73 100 100 5.0-5.7 11751/3.0=97...(10) HA ASP 78 + HA VAL 77 OK 59 59 100 100 4.7-4.8 11155/3.2=94...(27) HA SER 9 - HA ILE 129 far 0 85 0 - 8.7-48.1 HA LEU 69 - HA ILE 129 far 0 95 0 - 8.9-10.2 HA GLN 134 - HA ILE 129 far 0 99 0 - 9.3-9.9 HA ASP 47 - HA ILE 129 far 0 73 0 - 9.9-10.8 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 3.3-3.8 9952=100, 9946/3.2=80...(18) HG2 LYS 86 + HA VAL 77 OK 76 76 100 100 2.9-4.0 11742/2401=83...(35) QB ALA 34 - HA VAL 77 far 0 77 0 - 6.8-8.8 HG3 LYS 19 - HA VAL 77 far 0 81 0 - 7.7-35.6 QB ALA 92 - HA VAL 77 far 0 86 0 - 8.5-9.0 HG2 LYS 86 - HA ILE 129 far 0 93 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 10481 from aliabs.peaks (1.42, 0.82, 16.85 ppm; 4.33 A): 5 out of 15 assignments used, quality = 1.00: QB ALA 92 + QG2 ILE 129 OK 100 100 100 100 2.9-3.9 9946=99, 10491/4163=85...(28) HG2 LYS 86 + QG2 ILE 80 OK 81 81 100 100 2.6-4.5 9720/3.1=66...(31) HG13 ILE 32 + QG2 ILE 32 OK 55 55 100 100 3.1-3.2 3.2=100 QB ALA 34 + QG2 ILE 32 OK 50 51 100 98 2.6-3.5 6364/6362=61...(12) HG2 LYS 26 + QG2 ILE 32 OK 40 54 75 99 3.4-6.4 3.6/10757=39, ~10767=28...(66) HG LEU 96 - QG2 ILE 129 far 0 65 0 - 5.9-6.7 HG3 LYS 19 - QG2 ILE 80 far 0 79 0 - 6.2-31.3 HG2 LYS 86 - QG2 ILE 129 far 0 97 0 - 7.0-7.7 QB ALA 34 - QG2 ILE 80 far 0 82 0 - 7.8-9.6 QB ALA 92 - QG2 ILE 80 far 0 86 0 - 8.1-9.1 HG3 LYS 24 - QG2 ILE 32 far 0 35 0 - 8.7-13.8 HG3 LYS 19 - QG2 ILE 32 far 0 48 0 - 8.8-20.5 HG3 LYS 24 - QG2 ILE 80 far 0 60 0 - 9.0-24.4 QB ALA 34 - QG2 ILE 129 far 0 97 0 - 9.0-10.6 HG3 LYS 19 - QG2 ILE 129 far 0 95 0 - 9.8-34.0 Violated in 0 structures by 0.00 A. Peak 10482 from aliabs.peaks (1.02, 0.82, 16.85 ppm; 3.40 A increased from 3.20 A): 2 out of 4 assignments used, quality = 0.98: QG2 VAL 133 + QG2 ILE 129 OK 85 89 100 96 2.7-3.5 10587/10486=43...(19) QD1 LEU 69 + QG2 ILE 129 OK 85 89 100 96 2.9-3.6 11039/10486=40...(19) QG2 VAL 133 - QG2 ILE 80 far 0 72 0 - 4.4-5.4 QD1 LEU 69 - QG2 ILE 80 far 0 72 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 10483 from aliabs.peaks (1.43, 0.75, 30.23 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 92 + HG12 ILE 129 OK 100 100 100 100 1.8-4.7 10491/2.1=98...(21) HG LEU 96 - HG12 ILE 129 far 0 63 0 - 5.7-7.6 Violated in 1 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: QD1 ILE 80 + HA ILE 129 OK 97 99 100 98 5.3-5.8 9747/10459=59...(13) QG2 VAL 93 + HA ILE 129 OK 92 92 100 100 3.6-4.3 9967/4.2=73...(22) QD1 ILE 80 + HA VAL 77 OK 83 83 100 100 1.8-1.9 9649/2401=92, 9725=91...(41) QG2 VAL 93 + HA VAL 77 OK 63 74 85 99 5.5-5.9 9969/2401=72...(13) 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 2 assignments used, quality = 0.98: QD2 LEU 42 + QG2 ILE 129 OK 98 100 100 98 2.4-3.3 2.1/9083=58, 9081=49...(21) QD2 LEU 42 - QG2 ILE 80 far 0 86 0 - 6.4-7.3 Violated in 1 structures by 0.00 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 1.7-1.9 9967=93, 11408/2.1=47...(40) QD1 ILE 80 - QD1 ILE 129 far 0 63 0 - 5.7-6.5 Violated in 0 structures by 0.00 A. Peak 10488 from aliabs.peaks (0.28, 1.74, 30.23 ppm; 5.78 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HG13 ILE 129 OK 100 100 100 100 1.7-4.1 9967/2.1=100, 11325=94...(21) QD1 ILE 80 - HG13 ILE 129 poor 17 85 20 - 5.8-7.9 Violated in 0 structures by 0.00 A. Peak 10489 from aliabs.peaks (0.99, 0.65, 14.48 ppm; 3.83 A increased from 3.41 A): 2 out of 4 assignments used, quality = 0.94: QD1 LEU 69 + QD1 ILE 129 OK 76 78 100 97 3.3-4.1 11038=50, 2.1/11713=45...(18) QG2 VAL 126 + QD1 ILE 129 OK 73 73 100 100 3.1-3.7 11692=61, 3.2/11639=57...(33) QD2 LEU 53 - QD1 ILE 129 far 0 83 0 - 7.7-9.9 QG2 VAL 118 - QD1 ILE 129 far 0 89 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 10490 from aliabs.peaks (1.14, 0.65, 14.48 ppm; 4.77 A increased from 4.02 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 132 + QD1 ILE 129 OK 100 100 100 100 3.8-4.8 11737=95, 9947/10491=79...(23) QG1 VAL 132 - QD1 ILE 129 far 0 99 0 - 5.4-6.6 HG3 LYS 39 - QD1 ILE 129 far 0 68 0 - 9.8-10.7 Violated in 2 structures by 0.01 A. Peak 10491 from aliabs.peaks (1.43, 0.65, 14.48 ppm; 3.18 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 92 + QD1 ILE 129 OK 100 100 100 100 1.8-2.9 9944=80, 9946/4163=40...(26) HG2 LYS 86 - QD1 ILE 129 far 0 93 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 10492 from aliabs.peaks (2.24, 0.65, 14.48 ppm; 3.88 A): 1 out of 7 assignments used, quality = 1.00: HB3 LEU 96 + QD1 ILE 129 OK 100 100 100 100 2.4-3.1 3.8/9982=41, 11454=39...(29) HB3 GLU 128 - QD1 ILE 129 far 0 95 0 - 5.0-6.2 HG2 GLU 97 - QD1 ILE 129 far 0 100 0 - 5.1-5.8 HB3 GLN 127 - QD1 ILE 129 far 0 78 0 - 6.2-7.2 HB3 GLU 97 - QD1 ILE 129 far 0 71 0 - 7.0-8.0 HG2 GLN 68 - QD1 ILE 129 far 0 60 0 - 7.9-8.9 HB2 GLN 68 - QD1 ILE 129 far 0 68 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 10493 from aliabs.peaks (2.40, 0.65, 14.48 ppm; 5.16 A): 1 out of 3 assignments used, quality = 0.73: HG3 GLU 128 + QD1 ILE 129 OK 73 73 100 100 2.6-4.9 9949/10491=80, ~11696=55...(11) HG3 GLU 97 - QD1 ILE 129 far 10 100 10 - 5.6-6.6 HG2 GLN 101 - QD1 ILE 129 far 0 60 0 - 9.8-13.3 Violated in 0 structures by 0.00 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 far 0 97 0 - 9.3-10.8 Violated in 20 structures by 3.35 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 2 assignments used, quality = 1.00: H VAL 132 + HB3 SER 130 OK 100 100 100 100 5.2-5.7 7910/3.9=86, ~4180=79...(13) H ASP 47 + HB3 SER 130 OK 90 90 100 100 5.0-6.5 3.7/10508=93...(9) Violated in 0 structures by 0.00 A. Peak 10503 from aliabs.peaks (2.02, 3.82, 62.38 ppm; 4.74 A): 2 out of 9 assignments used, quality = 0.85: HB ILE 129 + HB2 SER 130 OK 66 76 90 97 4.2-5.5 4.6/7889=60...(12) HB2 GLN 127 + HB2 SER 50 OK 56 71 80 98 2.8-5.6 3.0/4037=58...(17) HB2 GLN 127 - HB2 SER 130 far 4 76 5 - 5.3-7.5 HB2 GLN 134 - HB2 SER 130 far 0 100 0 - 5.4-8.5 HB ILE 129 - HB2 SER 50 far 0 71 0 - 7.8-9.7 HB2 GLU 44 - HB2 SER 130 far 0 100 0 - 8.3-10.1 HG3 ARG 135 - HB2 SER 130 far 0 99 0 - 9.1-10.7 HB3 GLU 40 - HB2 SER 130 far 0 100 0 - 9.9-12.4 HB3 GLU 55 - HB2 SER 50 far 0 86 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 10507 from aliabs.peaks (2.02, 3.77, 62.38 ppm; 5.51 A): 1 out of 4 assignments used, quality = 0.90: HB ILE 129 + HB3 SER 130 OK 90 90 100 100 4.0-5.6 10503/1.8=79...(12) HB2 GLN 134 - HB3 SER 130 far 0 100 0 - 6.3-8.4 HG3 ARG 135 - HB3 SER 130 far 0 93 0 - 8.5-10.6 HB2 GLU 44 - HB3 SER 130 far 0 100 0 - 9.3-10.8 Violated in 4 structures by 0.01 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 98 2.0-3.6 11718/1.8=71...(10) 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 5 assignments used, quality = 0.97: QD2 LEU 43 + HB3 SER 130 OK 97 97 100 100 3.0-3.5 11805/1.8=78...(29) HG12 ILE 129 - HB3 SER 130 far 0 99 0 - 5.1-7.5 QD2 LEU 96 - HB3 SER 130 far 0 100 0 - 7.0-8.5 QD1 LEU 96 - HB3 SER 130 far 0 85 0 - 8.0-9.4 QG1 VAL 93 - HB3 SER 130 far 0 100 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 10514 from aliabs.peaks (2.07, 2.77, 40.78 ppm; 5.27 A increased from 4.68 A): 3 out of 6 assignments used, quality = 0.99: HG3 GLN 134 + HB2 ASP 131 OK 94 99 95 100 4.4-8.0 ~4193=47, ~4193=46...(14) HB2 GLU 128 + HB2 ASP 131 OK 77 97 80 100 5.3-6.0 3.0/4195=90...(14) HB2 GLN 127 + HB2 ASP 131 OK 21 81 75 35 5.0-5.9 4079/4195=23...(4) HB3 LYS 39 - HB2 TYR 76 far 0 96 0 - 8.0-9.3 HG3 PRO 81 - HB2 TYR 76 far 0 80 0 - 9.0-9.9 HG3 GLU 91 - HB2 ASP 131 far 0 78 0 - 9.5-12.7 Violated in 0 structures by 0.00 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 4.7-5.5 3.9/4086=99, ~11730=77...(11) Violated in 0 structures by 0.00 A. Peak 10516 from aliabs.peaks (2.29, 2.86, 40.78 ppm; 5.46 A increased from 4.59 A): 1 out of 1 assignment used, quality = 0.98: HB VAL 132 + HB3 ASP 131 OK 98 98 100 100 4.9-5.4 2.1/10518=98...(14) Violated in 0 structures by 0.00 A. Peak 10517 from aliabs.peaks (2.06, 2.86, 40.78 ppm; 5.58 A increased from 4.96 A): 3 out of 4 assignments used, quality = 0.98: HG3 GLN 134 + HB3 ASP 131 OK 87 92 95 100 4.4-8.3 ~4193=53, ~4193=52...(13) HB2 GLU 128 + HB3 ASP 131 OK 64 85 75 100 5.7-6.4 3.0/4086=96...(12) HG3 ARG 135 + HB3 ASP 131 OK 47 60 90 88 4.8-6.3 10525/7915=60...(5) HB2 GLN 127 - HB3 ASP 131 far 0 95 0 - 6.5-7.5 Violated in 0 structures by 0.00 A. Peak 10518 from aliabs.peaks (1.14, 2.86, 40.78 ppm; 4.02 A): 1 out of 4 assignments used, quality = 1.00: QG2 VAL 132 + HB3 ASP 131 OK 100 100 100 100 2.7-3.2 11138/1.8=67...(21) QG1 VAL 132 - HB3 ASP 131 far 0 97 0 - 4.9-5.0 HG3 LYS 39 - HB3 ASP 131 far 0 78 0 - 9.7-10.5 HG2 LYS 39 - HB3 ASP 131 far 0 100 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 10519 from aliabs.peaks (3.48, 2.86, 40.78 ppm; 5.34 A): 2 out of 2 assignments used, quality = 0.95: HA VAL 132 + HB3 ASP 131 OK 78 78 100 100 3.8-3.9 3.0/7915=93...(13) HA ILE 129 + HB3 ASP 131 OK 78 78 100 99 5.1-5.6 5.0/4086=67...(13) Violated in 0 structures by 0.00 A. Peak 10520 from aliabs.peaks (3.79, 2.86, 40.78 ppm; 5.91 A increased from 5.56 A): 2 out of 7 assignments used, quality = 0.98: HA SER 130 + HB3 ASP 131 OK 89 89 100 100 6.0-6.2 3.6/7904=98...(11) HB3 SER 130 + HB3 ASP 131 OK 86 87 100 99 5.4-6.1 4.6/7904=88...(11) HB2 SER 130 - HB3 ASP 131 poor 17 57 30 - 5.9-7.1 HA VAL 133 - HB3 ASP 131 far 0 78 0 - 7.1-7.3 HB2 SER 9 - HB3 ASP 131 far 0 76 0 - 7.8-52.8 HB3 SER 9 - HB3 ASP 131 far 0 97 0 - 8.0-51.7 HA LEU 43 - HB3 ASP 131 far 0 95 0 - 9.0-9.7 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 = 1.00: HA LEU 42 + HB2 TYR 76 OK 95 96 100 100 5.5-6.5 4.1/9617=90, 3.9/9098=75...(5) HA VAL 132 + HB2 ASP 131 OK 86 86 100 100 5.3-5.5 3.0/7914=100...(15) HA ILE 129 + HB2 ASP 131 OK 63 63 100 100 5.5-5.9 5.0/4085=89...(11) HA ILE 129 - HB2 TYR 76 far 0 65 0 - 7.8-9.6 Violated in 0 structures by 0.00 A. Peak 10526 from aliabs.peaks (2.03, 3.50, 66.53 ppm; 4.19 A): 1 out of 8 assignments used, quality = 1.00: HG3 ARG 135 + HA VAL 132 OK 100 100 100 100 1.8-2.6 11783=99, 1.8/10527=76...(26) HB2 GLN 134 - HA VAL 132 far 0 95 0 - 5.7-7.4 HG2 PRO 81 - HA VAL 132 far 0 65 0 - 7.0-10.3 QE MET 11 - HA VAL 132 far 0 99 0 - 7.4-42.7 HG3 PRO 81 - HA VAL 132 far 0 90 0 - 7.4-9.9 HG2 ARG 90 - HA VAL 132 far 0 97 0 - 9.8-10.7 HB2 PRO 81 - HA VAL 132 far 0 58 0 - 9.8-11.8 HB3 MET 11 - HA VAL 132 far 0 81 0 - 10.0-48.3 Violated in 0 structures by 0.00 A. Peak 10527 from aliabs.peaks (1.69, 3.50, 66.53 ppm; 4.23 A): 1 out of 3 assignments used, quality = 0.99: HG2 ARG 135 + HA VAL 132 OK 99 99 100 100 1.9-3.2 10019=94, 1.8/11783=80...(26) HD3 LYS 39 - HA VAL 132 far 0 85 0 - 8.7-10.7 HD2 LYS 39 - HA VAL 132 far 0 90 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 10528 from aliabs.peaks (2.76, 3.50, 66.53 ppm; 5.51 A increased from 5.18 A): 1 out of 1 assignment used, quality = 0.97: HB2 ASP 131 + HA VAL 132 OK 97 97 100 100 5.3-5.5 7914/3.0=93...(15) Violated in 0 structures by 0.00 A. Peak 10529 from aliabs.peaks (2.92, 3.50, 66.53 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: HD2 ARG 135 + HA VAL 132 OK 100 100 100 100 2.5-4.0 10636=85, 1.8/10530=73...(25) HE3 LYS 39 - HA VAL 132 far 0 100 0 - 7.6-10.0 HE2 LYS 39 - HA VAL 132 far 0 100 0 - 7.6-10.5 HE3 LYS 86 - HA VAL 132 far 0 60 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 10530 from aliabs.peaks (3.24, 3.50, 66.53 ppm; 4.29 A): 1 out of 5 assignments used, quality = 0.97: HD3 ARG 135 + HA VAL 132 OK 97 97 100 100 2.0-4.0 10635=92, 1.8/10529=81...(25) HB3 PHE 87 - HA VAL 132 far 0 97 0 - 8.7-11.0 HB2 HIS 5 - HA VAL 132 far 0 96 0 - 8.8-64.5 HB3 HIS 10 - HA VAL 132 far 0 100 0 - 8.9-48.0 HB2 PHE 87 - HA VAL 132 far 0 89 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 10531 from aliabs.peaks (0.81, 1.13, 22.78 ppm; 3.84 A): 2 out of 11 assignments used, quality = 0.95: QG2 ILE 80 + QG1 VAL 132 OK 88 99 90 99 3.8-4.6 3.1/11656=61...(28) QG2 ILE 129 + QG2 VAL 132 OK 59 59 100 98 3.1-3.9 3.0/10490=42...(29) QG2 ILE 129 - QG1 VAL 132 far 5 90 5 - 4.4-5.0 HG13 ILE 80 - QG1 VAL 132 far 0 100 0 - 4.8-6.0 QG2 ILE 80 - QG2 VAL 132 far 0 70 0 - 5.9-6.6 HG13 ILE 80 - QG2 VAL 132 far 0 71 0 - 6.6-7.2 QD1 LEU 122 - QG2 VAL 132 far 0 72 0 - 9.2-11.3 QD1 LEU 70 - QG2 VAL 132 far 0 71 0 - 9.3-10.3 QD2 LEU 122 - QG2 VAL 132 far 0 49 0 - 9.4-11.6 QD2 LEU 49 - QG2 VAL 132 far 0 66 0 - 9.5-9.9 QD1 LEU 53 - QG2 VAL 132 far 0 61 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 10532 from aliabs.peaks (0.81, 2.28, 31.42 ppm; 5.10 A): 2 out of 9 assignments used, quality = 0.96: QG2 ILE 129 + HB VAL 132 OK 90 90 100 100 3.5-4.3 3.2/4126=74, ~10477=54...(18) QG2 ILE 80 + HB VAL 132 OK 54 99 55 99 5.3-6.2 10531/2.1=63, ~11738=60...(10) QD2 LEU 119 - HB3 PRO 113 poor 13 65 20 - 5.2-7.8 HG13 ILE 80 - HB VAL 132 far 5 100 5 - 5.6-6.3 QD1 LEU 103 - HB VAL 105 far 0 32 0 - 7.5-8.0 QG1 VAL 63 - HB VAL 105 far 0 33 0 - 7.5-8.2 QD1 LEU 103 - HB3 PRO 113 far 0 49 0 - 9.1-11.2 QD1 LEU 53 - HB3 PRO 113 far 0 72 0 - 9.2-12.3 QD2 LEU 122 - HB VAL 105 far 0 39 0 - 9.5-11.1 Violated in 0 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 = 0.99: QB ALA 88 + QG1 VAL 132 OK 98 100 100 98 1.8-2.1 9861=50, 9861/2.1=35...(27) QB ALA 88 + QG2 VAL 132 OK 70 72 100 97 1.9-2.8 9861=49, 9861/2.1=36...(27) HG2 ARG 84 - QG1 VAL 132 far 0 73 0 - 4.1-7.4 HG3 ARG 84 - QG1 VAL 132 far 0 81 0 - 5.4-7.3 HG2 ARG 84 - QG2 VAL 132 far 0 46 0 - 6.6-9.7 HD2 LYS 95 - QG2 VAL 132 far 0 70 0 - 7.0-10.3 HD3 LYS 86 - QG1 VAL 132 far 0 99 0 - 7.5-7.9 HD2 LYS 86 - QG1 VAL 132 far 0 100 0 - 7.5-8.2 HG LEU 43 - QG2 VAL 132 far 0 56 0 - 7.7-8.4 HG3 ARG 84 - QG2 VAL 132 far 0 51 0 - 7.7-9.7 HD3 LYS 95 - QG2 VAL 132 far 0 72 0 - 8.3-9.9 HG LEU 43 - QG1 VAL 132 far 0 87 0 - 8.3-8.9 HD2 LYS 95 - QG1 VAL 132 far 0 99 0 - 8.6-11.6 HB2 LEU 69 - QG2 VAL 132 far 0 66 0 - 9.0-9.7 HD2 LYS 39 - QG1 VAL 132 far 0 87 0 - 9.2-10.5 HD2 LYS 39 - QG2 VAL 132 far 0 56 0 - 9.4-10.5 HD2 LYS 86 - QG2 VAL 132 far 0 71 0 - 9.5-9.9 HD3 LYS 95 - QG1 VAL 132 far 0 100 0 - 9.5-11.0 HD3 LYS 86 - QG2 VAL 132 far 0 69 0 - 9.5-10.0 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 17 assignments used, quality = 1.00: HG3 ARG 135 + QG1 VAL 132 OK 99 99 100 100 2.2-3.2 11783/3.2=59...(41) HG3 ARG 135 + QG2 VAL 132 OK 69 69 100 100 4.0-4.7 11783/3.2=59, 11591=41...(42) QE MET 11 - QG1 VAL 132 far 0 95 0 - 5.5-34.0 HG2 ARG 90 - QG1 VAL 132 far 0 87 0 - 5.8-6.8 HG3 PRO 81 - QG1 VAL 132 far 0 98 0 - 5.9-8.3 QE MET 11 - QG2 VAL 132 far 0 64 0 - 5.9-34.3 HB2 GLN 134 - QG2 VAL 132 far 0 53 0 - 6.5-7.8 HB3 GLU 91 - QG2 VAL 132 far 0 69 0 - 6.7-7.6 HG2 ARG 90 - QG2 VAL 132 far 0 56 0 - 6.7-7.4 HB2 GLN 134 - QG1 VAL 132 far 0 83 0 - 6.9-8.1 HB2 GLN 127 - QG2 VAL 132 far 0 69 0 - 7.0-8.0 HB3 GLU 91 - QG1 VAL 132 far 0 99 0 - 7.1-7.8 HB3 MET 11 - QG2 VAL 132 far 0 38 0 - 7.8-38.8 HB2 PRO 81 - QG1 VAL 132 far 0 64 0 - 7.8-9.6 HB3 MET 11 - QG1 VAL 132 far 0 63 0 - 7.9-38.3 HG3 PRO 81 - QG2 VAL 132 far 0 68 0 - 8.0-10.0 HB2 GLN 127 - QG1 VAL 132 far 0 99 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 10535 from aliabs.peaks (2.71, 1.13, 22.78 ppm; 3.94 A): 2 out of 6 assignments used, quality = 0.90: HB2 ASN 85 + QG1 VAL 132 OK 83 83 100 100 1.7-3.4 1.8/11743=74...(19) HB2 ASN 85 + QG2 VAL 132 OK 45 53 85 99 4.2-6.0 ~11743=47, ~9794=40...(21) HB2 CYS 125 - QG2 VAL 132 far 0 51 0 - 7.4-8.7 HB2 CYS 73 - QG2 VAL 132 far 0 36 0 - 8.5-9.4 HB2 CYS 73 - QG1 VAL 132 far 0 60 0 - 9.3-10.3 HB2 CYS 125 - QG1 VAL 132 far 0 81 0 - 9.5-11.0 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: HE3 LYS 95 - QG2 VAL 132 far 0 44 0 - 7.3-8.7 HE2 LYS 95 - QG2 VAL 132 far 0 48 0 - 7.5-9.7 HE3 LYS 95 - QG1 VAL 132 far 0 71 0 - 8.5-9.5 HE2 LYS 95 - QG1 VAL 132 far 0 76 0 - 9.0-10.7 Violated in 20 structures by 2.61 A. Peak 10537 from aliabs.peaks (3.30, 1.13, 22.78 ppm; 3.59 A): 2 out of 4 assignments used, quality = 0.97: HB2 PHE 89 + QG1 VAL 132 OK 93 93 100 100 2.0-2.8 3.0/10539=35...(28) HB2 PHE 89 + QG2 VAL 132 OK 59 62 95 99 3.4-4.2 ~11650=27, ~11943=27...(28) HB3 CYS 73 - QG2 VAL 132 far 0 70 0 - 7.2-8.2 HB3 CYS 73 - QG1 VAL 132 far 0 99 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 10538 from aliabs.peaks (3.78, 1.13, 22.78 ppm; 4.48 A increased from 3.98 A): 2 out of 12 assignments used, quality = 0.97: HA VAL 133 + QG1 VAL 132 OK 97 97 100 100 4.1-4.4 9726/11656=63...(27) HA SER 130 + QG2 VAL 132 OK 23 70 35 92 4.7-5.5 3.6/11651=48...(11) HA VAL 133 - QG2 VAL 132 far 0 66 0 - 5.2-5.4 HB3 SER 130 - QG2 VAL 132 far 0 70 0 - 5.5-6.2 HA ARG 90 - QG2 VAL 132 far 0 53 0 - 6.2-6.9 HA ARG 90 - QG1 VAL 132 far 0 83 0 - 6.3-7.0 HA SER 130 - QG1 VAL 132 far 0 99 0 - 6.5-6.8 HB3 SER 9 - QG2 VAL 132 far 0 51 0 - 7.0-41.3 HA LEU 43 - QG2 VAL 132 far 0 72 0 - 7.7-8.5 HB3 SER 130 - QG1 VAL 132 far 0 99 0 - 7.8-8.2 HB3 SER 9 - QG1 VAL 132 far 0 81 0 - 8.1-42.7 HA LEU 43 - QG1 VAL 132 far 0 100 0 - 9.1-9.5 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 2.8-3.4 3.0/10537=36, 9873=34...(31) HA PHE 89 + QG2 VAL 132 OK 66 66 100 100 2.2-3.1 2897/9947=38, 9873=33...(32) HA ILE 80 - QG1 VAL 132 far 0 63 0 - 6.3-7.1 HA ILE 80 - QG2 VAL 132 far 0 38 0 - 8.2-8.7 HA CYS 79 - QG1 VAL 132 far 0 98 0 - 9.8-10.6 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 6 assignments used, quality = 0.85: HA ALA 88 + QG1 VAL 132 OK 73 73 100 100 3.9-4.4 2.1/10533=63...(20) HA ALA 88 + QG2 VAL 132 OK 46 46 100 100 4.0-4.7 2.1/9861=48, ~10533=42...(21) HA ARG 84 - QG1 VAL 132 far 0 89 0 - 5.6-6.0 HA ARG 84 - QG2 VAL 132 far 0 58 0 - 7.6-8.2 HA SER 124 - QG2 VAL 132 far 0 62 0 - 8.4-8.9 HA SER 94 - QG2 VAL 132 far 0 68 0 - 9.5-10.2 Violated in 0 structures by 0.00 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 1.9-2.1 3.0/11743=70...(21) HA ASN 85 + QG2 VAL 132 OK 53 53 100 100 4.1-4.5 ~10545=43, ~11743=43...(22) 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 5.5-6.0 ~9947=90, ~11658=90...(12) H ALA 88 + QG1 VAL 132 OK 81 81 100 100 3.2-3.7 ~11661=74, ~9857=66...(22) H ALA 92 + QG2 VAL 132 OK 58 58 100 100 4.5-5.1 3.0/11742=100...(10) H ALA 88 + QG2 VAL 132 OK 51 51 100 100 4.5-5.1 ~11661=74, ~9860=69...(21) Violated in 0 structures by 0.00 A. Peak 10545 from aliabs.peaks (7.30, 1.13, 22.78 ppm; 6.04 A): 4 out of 8 assignments used, quality = 0.99: H ASN 85 + QG1 VAL 132 OK 83 83 100 100 4.0-4.2 3.6/11743=93...(18) QD PHE 87 + QG1 VAL 132 OK 78 93 100 84 5.1-6.6 7181/9476=44...(5) HZ PHE 89 + QG2 VAL 132 OK 53 72 75 99 6.2-6.9 ~11367=61, ~11734=41...(12) H ASN 85 + QG2 VAL 132 OK 31 53 60 99 6.5-6.8 ~10541=51, ~10541=44...(14) QD PHE 87 - QG2 VAL 132 poor 16 62 25 - 6.3-7.8 QE PHE 87 - QG1 VAL 132 poor 15 60 25 - 5.0-8.4 HZ PHE 89 - QG1 VAL 132 far 10 100 10 - 6.4-7.3 QE PHE 87 - QG2 VAL 132 poor 9 36 25 - 6.0-9.6 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 = 1.00: QD PHE 89 + QG1 VAL 132 OK 100 100 100 100 2.8-3.6 11650/2.1=46...(34) QD PHE 89 + QG2 VAL 132 OK 71 72 100 99 3.3-4.1 11650/2.1=46...(34) Violated in 0 structures by 0.00 A. Peak 10547 from aliabs.peaks (6.48, 1.13, 22.78 ppm; 6.10 A increased from 5.42 A): 3 out of 4 assignments used, quality = 1.00: QE TYR 76 + QG1 VAL 132 OK 100 100 100 100 5.3-6.2 9746/11656=96...(8) QD TYR 76 + QG1 VAL 132 OK 52 73 100 71 5.8-6.6 9746/11656=46...(5) QE TYR 76 + QG2 VAL 132 OK 33 72 60 75 6.4-7.5 10550/4.4=31...(9) QD TYR 76 - QG2 VAL 132 far 2 46 5 - 6.6-7.4 Violated in 0 structures by 0.00 A. Peak 10551 from aliabs.peaks (8.68, 1.14, 23.00 ppm; 5.72 A): 0 out of 0 assignments used, quality = 0.00: 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 1.8-1.9 2.2/10554=59...(24) Violated in 0 structures by 0.00 A. Peak 10553 from aliabs.peaks (7.30, 1.04, 23.71 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: HZ PHE 89 + QG2 VAL 133 OK 100 100 100 100 2.4-3.8 2.2/10552=92...(15) H ASN 85 - QG2 VAL 133 far 0 78 0 - 7.0-7.6 QD PHE 87 - QG2 VAL 133 far 0 96 0 - 8.9-10.3 Violated in 0 structures by 0.00 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 2.0-3.4 2.2/10552=78...(20) Violated in 0 structures by 0.00 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 98 1.8-2.4 10558/2.1=63...(22) Violated in 0 structures by 0.00 A. Peak 10556 from aliabs.peaks (7.32, 0.84, 22.12 ppm; 5.99 A increased from 5.32 A): 1 out of 1 assignment used, quality = 0.97: HZ PHE 89 + QG1 VAL 133 OK 97 97 100 100 4.7-5.9 2.2/11756=98...(11) Violated in 0 structures by 0.00 A. Peak 10557 from aliabs.peaks (7.07, 0.84, 22.12 ppm; 5.23 A increased from 4.65 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 89 + QG1 VAL 133 OK 100 100 100 100 4.5-5.2 10554/2.1=89...(14) Violated in 1 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 1.9-3.7 10555/2.1=77...(20) Violated in 0 structures by 0.00 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 2.9-3.7 10555/3.2=78...(16) Violated in 0 structures by 0.00 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 4.0-4.9 9631/2.1=95...(10) QD TYR 76 + HB VAL 133 OK 89 89 100 100 5.3-5.8 ~10555=87, ~10555=86...(21) Violated in 0 structures by 0.00 A. Peak 10562 from aliabs.peaks (8.04, 1.04, 23.71 ppm; 5.15 A increased from 4.85 A): 1 out of 2 assignments used, quality = 1.00: H SER 130 + QG2 VAL 133 OK 100 100 100 100 4.2-5.4 2.9/11861=80...(18) H LEU 48 - QG2 VAL 133 far 0 97 0 - 9.6-10.6 Violated in 3 structures by 0.02 A. Peak 10563 from aliabs.peaks (8.31, 1.04, 23.71 ppm; 5.18 A): 1 out of 6 assignments used, quality = 0.85: H LEU 43 + QG2 VAL 133 OK 85 85 100 100 4.3-4.9 4.4/11090=73...(15) H GLU 40 - QG2 VAL 133 far 0 85 0 - 6.2-6.8 H GLU 44 - QG2 VAL 133 far 0 68 0 - 6.7-7.2 H TYR 72 - QG2 VAL 133 far 0 92 0 - 8.0-8.6 H VAL 126 - QG2 VAL 133 far 0 65 0 - 9.2-10.2 H LEU 69 - QG2 VAL 133 far 0 99 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 10564 from aliabs.peaks (8.47, 1.04, 23.71 ppm; 4.91 A increased from 4.62 A): 1 out of 3 assignments used, quality = 1.00: H VAL 132 + QG2 VAL 133 OK 100 100 100 100 3.8-5.4 3.3/7935=88...(21) H ASP 47 - QG2 VAL 133 far 0 87 0 - 7.7-8.6 H LEU 70 - QG2 VAL 133 far 0 97 0 - 9.6-10.0 Violated in 3 structures by 0.04 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 5.2-5.4 10564/3.2=96...(20) Violated in 0 structures by 0.00 A. Peak 10566 from aliabs.peaks (3.45, 1.04, 23.71 ppm; 4.61 A increased from 4.10 A): 2 out of 4 assignments used, quality = 1.00: HA ILE 129 + QG2 VAL 133 OK 100 100 100 100 4.0-4.9 10479=59, 4126/11764=52...(17) HA VAL 77 + QG2 VAL 133 OK 89 100 90 98 4.7-5.3 9725/10588=69...(14) HA LEU 42 - QG2 VAL 133 far 0 87 0 - 5.8-6.3 HA VAL 126 - QG2 VAL 133 far 0 90 0 - 7.1-8.0 Violated in 0 structures by 0.00 A. Peak 10567 from aliabs.peaks (1.14, 1.04, 23.71 ppm; 4.74 A): 4 out of 4 assignments used, quality = 1.00: QG2 VAL 132 + QG2 VAL 133 OK 100 100 100 100 3.7-5.2 2.1/11764=89...(27) QG1 VAL 132 + QG2 VAL 133 OK 95 95 100 100 4.0-4.5 2.1/11764=89...(20) HG3 LYS 39 + QG2 VAL 133 OK 83 83 100 100 3.2-4.5 11886/2.1=58...(24) HG2 LYS 39 + QG2 VAL 133 OK 40 99 40 100 2.9-5.8 4.0/10571=57...(24) 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 4.3-4.6 2.1/10587=99...(19) HG3 LYS 86 - QG2 VAL 133 far 0 100 0 - 6.2-8.5 HB2 LEU 49 - QG2 VAL 133 far 0 89 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 10569 from aliabs.peaks (1.66, 1.04, 23.71 ppm; 3.95 A): 1 out of 8 assignments used, quality = 0.92: HG LEU 43 + QG2 VAL 133 OK 92 92 100 100 3.5-4.2 2.1/11090=78...(21) HD2 LYS 39 - QG2 VAL 133 far 0 81 0 - 5.3-6.6 QB ALA 88 - QG2 VAL 133 far 0 100 0 - 6.2-6.8 HB2 LEU 69 - QG2 VAL 133 far 0 99 0 - 7.8-8.3 HD2 LYS 86 - QG2 VAL 133 far 0 100 0 - 7.9-8.7 HG2 ARG 84 - QG2 VAL 133 far 0 81 0 - 8.1-11.4 HD3 LYS 86 - QG2 VAL 133 far 0 100 0 - 8.6-9.4 HG3 ARG 84 - QG2 VAL 133 far 0 87 0 - 9.4-11.4 Violated in 2 structures by 0.02 A. Peak 10570 from aliabs.peaks (2.64, 1.04, 23.71 ppm; 5.17 A increased from 4.35 A): 1 out of 1 assignment used, quality = 1.00: HG2 GLN 134 + QG2 VAL 133 OK 100 100 100 100 4.3-5.1 10576/2.1=86...(21) Violated in 0 structures by 0.00 A. Peak 10571 from aliabs.peaks (2.94, 1.04, 23.71 ppm; 4.58 A increased from 4.31 A): 1 out of 5 assignments used, quality = 0.89: HE2 LYS 39 + QG2 VAL 133 OK 89 95 95 99 4.2-5.5 10577/2.1=45, ~10577=33...(21) HE3 LYS 39 - QG2 VAL 133 poor 19 95 20 - 4.9-5.8 HD2 ARG 135 - QG2 VAL 133 far 0 90 0 - 6.3-8.0 HE3 LYS 86 - QG2 VAL 133 far 0 95 0 - 6.8-9.2 HB2 CYS 45 - QG2 VAL 133 far 0 99 0 - 7.6-8.4 Violated in 2 structures by 0.05 A. Peak 10572 from aliabs.peaks (1.65, 0.84, 22.12 ppm; 3.80 A): 1 out of 7 assignments used, quality = 1.00: HG LEU 43 + QG1 VAL 133 OK 100 100 100 100 1.9-3.1 2.1/11679=84...(22) QB ALA 88 - QG1 VAL 133 far 0 90 0 - 7.7-8.1 HD2 LYS 86 - QG1 VAL 133 far 0 98 0 - 8.8-11.1 HG2 ARG 84 - QG1 VAL 133 far 0 97 0 - 8.9-12.4 HB2 LEU 69 - QG1 VAL 133 far 0 100 0 - 9.3-9.9 HD3 LYS 86 - QG1 VAL 133 far 0 99 0 - 9.6-11.2 HG3 ARG 84 - QG1 VAL 133 far 0 99 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 10573 from aliabs.peaks (1.33, 0.84, 22.12 ppm; 5.73 A increased from 4.59 A): 1 out of 1 assignment used, quality = 0.97: QB ALA 46 + QG1 VAL 133 OK 97 97 100 100 4.9-5.6 9176/11679=93...(7) Violated in 0 structures by 0.00 A. Peak 10574 from aliabs.peaks (2.04, 0.84, 22.12 ppm; 4.96 A increased from 4.18 A): 2 out of 8 assignments used, quality = 0.97: HG3 PRO 81 + QG1 VAL 133 OK 90 99 100 91 4.3-4.8 ~11757=56, 10575/2.1=30...(11) HB2 GLN 134 + QG1 VAL 133 OK 74 78 95 100 4.2-5.8 1.8/11765=88...(19) HB2 PRO 81 - QG1 VAL 133 far 0 65 0 - 5.6-6.8 HG3 ARG 135 - QG1 VAL 133 far 0 97 0 - 5.7-6.7 HB3 GLU 40 - QG1 VAL 133 far 0 81 0 - 6.7-7.3 HB2 GLU 44 - QG1 VAL 133 far 0 85 0 - 8.9-9.5 HG2 ARG 90 - QG1 VAL 133 far 0 83 0 - 9.3-10.3 HB2 GLN 127 - QG1 VAL 133 far 0 99 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 10575 from aliabs.peaks (2.05, 1.04, 23.71 ppm; 4.03 A): 0 out of 10 assignments used, quality = 0.00: HG3 PRO 81 - QG2 VAL 133 far 0 100 0 - 4.8-6.4 HG3 ARG 135 - QG2 VAL 133 far 0 93 0 - 5.4-6.3 HB2 GLN 134 - QG2 VAL 133 far 0 68 0 - 5.9-6.8 HB2 PRO 81 - QG2 VAL 133 far 0 68 0 - 6.4-7.9 HG2 ARG 90 - QG2 VAL 133 far 0 73 0 - 7.0-8.0 HB3 GLU 40 - QG2 VAL 133 far 0 71 0 - 8.3-8.7 HB3 GLU 44 - QG2 VAL 133 far 0 68 0 - 8.5-9.3 HB2 GLN 127 - QG2 VAL 133 far 0 100 0 - 9.0-10.3 HB2 GLU 44 - QG2 VAL 133 far 0 76 0 - 9.6-10.2 QE MET 11 - QG2 VAL 133 far 0 85 0 - 9.7-32.8 Violated in 20 structures by 0.64 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 2.1-4.4 10597=92, 9124/11777=76...(21) Violated in 0 structures by 0.00 A. Peak 10577 from aliabs.peaks (2.93, 0.84, 22.12 ppm; 3.65 A): 2 out of 5 assignments used, quality = 1.00: HE2 LYS 39 + QG1 VAL 133 OK 96 100 100 97 1.8-4.0 10571/2.1=45...(19) HE3 LYS 39 + QG1 VAL 133 OK 95 100 100 95 2.5-4.2 ~10571=34, 2.9/11768=30...(16) HD2 ARG 135 - QG1 VAL 133 far 0 99 0 - 6.7-8.2 HE3 LYS 86 - QG1 VAL 133 far 0 81 0 - 7.8-11.2 HB2 CYS 45 - QG1 VAL 133 far 0 100 0 - 7.9-8.6 Violated in 1 structures by 0.00 A. Peak 10578 from aliabs.peaks (3.40, 0.84, 22.12 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 39 + QG1 VAL 133 OK 100 100 100 100 1.9-3.0 9053=72, 10870/10585=57...(22) Violated in 0 structures by 0.00 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 2.6-2.9 10587/2.1=76...(33) Violated in 0 structures by 0.00 A. Peak 10586 from aliabs.peaks (0.25, 0.84, 22.12 ppm; 5.03 A increased from 4.47 A): 1 out of 1 assignment used, quality = 0.93: QD1 ILE 80 + QG1 VAL 133 OK 93 93 100 100 3.9-5.0 10588/2.1=79...(27) Violated in 0 structures by 0.00 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 1.8-2.1 2.1/11676=58...(27) Violated in 0 structures by 0.00 A. Peak 10588 from aliabs.peaks (0.27, 1.04, 23.71 ppm; 3.76 A): 1 out of 2 assignments used, quality = 0.99: QD1 ILE 80 + QG2 VAL 133 OK 99 99 100 100 2.7-3.2 9746/10555=52...(35) QG2 VAL 93 - QG2 VAL 133 far 0 92 0 - 4.8-5.3 Violated in 0 structures by 0.00 A. Peak 10590 from aliabs.peaks (0.28, 3.77, 64.98 ppm; 4.68 A): 1 out of 2 assignments used, quality = 0.93: QD1 ILE 80 + HA VAL 133 OK 93 93 100 100 3.6-4.0 9726=80, 10588/3.2=77...(23) QG2 VAL 93 - HA VAL 133 far 0 98 0 - 7.3-8.2 Violated in 0 structures by 0.00 A. Peak 10594 from aliabs.peaks (1.70, 2.65, 35.98 ppm; 6.16 A): 4 out of 4 assignments used, quality = 1.00: HB2 LEU 43 + HG2 GLN 134 OK 100 100 100 100 4.6-6.4 3.2/10596=96...(28) HG2 ARG 135 + HG2 GLN 134 OK 91 100 95 96 5.4-7.9 7983/7976=88...(4) HD2 LYS 39 + HG2 GLN 134 OK 74 78 100 95 4.6-6.7 2.9/10603=41...(11) HD3 LYS 39 + HG2 GLN 134 OK 74 95 80 98 4.2-7.1 11683/4261=49...(13) 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 4.3-5.1 10570=91, 2.1/10576=90...(21) 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 1.9-3.5 9121=100, 2.1/9124=81...(23) Violated in 0 structures by 0.00 A. Peak 10597 from aliabs.peaks (0.84, 2.65, 35.98 ppm; 5.58 A): 1 out of 5 assignments used, quality = 1.00: QG1 VAL 133 + HG2 GLN 134 OK 100 100 100 100 2.1-4.4 10576=98, 11777/9124=89...(21) QG2 ILE 129 - HG2 GLN 134 far 0 87 0 - 6.6-7.5 HG13 ILE 80 - HG2 GLN 134 far 0 57 0 - 8.4-9.6 QG2 ILE 80 - HG2 GLN 134 far 0 65 0 - 8.6-9.5 QD2 LEU 69 - HG2 GLN 134 far 0 73 0 - 9.2-10.1 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 2 assignments used, quality = 0.99: HG LEU 43 + HG3 GLN 134 OK 99 99 100 100 4.4-6.5 2.1/10601=100...(24) QB ALA 88 - HG3 GLN 134 far 0 68 0 - 8.5-10.8 Violated in 0 structures by 0.00 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 4.7-5.7 10570/1.8=99...(25) QD1 LEU 69 - HG3 GLN 134 far 0 60 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 10600 from aliabs.peaks (0.67, 2.08, 35.98 ppm; 4.77 A increased from 4.49 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 43 + HG3 GLN 134 OK 99 99 100 100 1.9-4.8 9121/1.8=90...(21) QD1 ILE 129 - HG3 GLN 134 far 0 81 0 - 8.8-10.2 Violated in 1 structures by 0.00 A. Peak 10601 from aliabs.peaks (0.75, 2.08, 35.98 ppm; 4.44 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 43 + HG3 GLN 134 OK 99 99 100 100 2.5-3.9 9124/1.8=86...(29) HG12 ILE 129 - HG3 GLN 134 far 0 100 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 10602 from aliabs.peaks (2.93, 2.08, 35.98 ppm; 5.85 A increased from 5.20 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 39 + HG3 GLN 134 OK 98 100 100 98 3.4-5.7 9120/10600=39...(14) HE2 LYS 39 + HG3 GLN 134 OK 94 100 95 99 2.3-6.6 10571/10599=56...(15) HD2 ARG 135 - HG3 GLN 134 far 10 99 10 - 4.3-9.5 Violated in 0 structures by 0.00 A. Peak 10603 from aliabs.peaks (2.95, 2.65, 35.98 ppm; 6.61 A): 2 out of 3 assignments used, quality = 0.95: HE2 LYS 39 + HG2 GLN 134 OK 78 78 100 100 2.1-5.6 10571/10570=75...(17) HE3 LYS 39 + HG2 GLN 134 OK 78 78 100 100 3.4-5.3 9120/9121=45...(17) HD2 ARG 135 - HG2 GLN 134 far 7 71 10 - 5.8-9.1 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 91 92 100 99 5.2-6.2 3.9/10596=90...(5) HA SER 130 + HG2 GLN 134 OK 84 85 100 99 3.5-4.4 11747/9124=69...(12) HB3 SER 130 + HG2 GLN 134 OK 80 83 100 97 4.1-5.9 10509/9124=64...(8) HA VAL 133 + HG2 GLN 134 OK 73 73 100 100 4.9-5.5 3.6/7950=97...(14) HB2 SER 130 + HG2 GLN 134 OK 62 63 100 99 3.1-5.7 10626/3.5=91...(6) Violated in 0 structures by 0.00 A. Peak 10605 from aliabs.peaks (3.80, 2.08, 35.98 ppm; 6.47 A increased from 6.09 A): 2 out of 3 assignments used, quality = 0.94: HB2 SER 130 + HG3 GLN 134 OK 88 89 100 100 3.3-6.6 10626/3.5=95...(10) HA LEU 43 + HG3 GLN 134 OK 48 68 70 100 6.1-7.5 3.9/11685=94...(6) HA GLU 40 - HG3 GLN 134 far 3 63 5 - 6.4-9.6 Violated in 0 structures by 0.00 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 2.0-4.0 10636/1.8=63, 10530=49...(24) Violated in 0 structures by 0.00 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 4.2-5.4 10019/4308=77...(13) Violated in 1 structures by 0.01 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 3.9-4.6 11885=96, 11884/1.8=79...(20) Violated in 0 structures by 0.00 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 3.8-4.5 11884=97, 10638/1.8=82...(20) Violated in 0 structures by 0.00 A. Peak 10640 from aliabs.peaks (1.13, 3.23, 44.19 ppm; 3.92 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 132 + HD3 ARG 135 OK 100 100 100 100 2.4-4.4 11875/2.9=64...(35) QG2 VAL 132 + HD3 ARG 135 OK 84 99 85 100 3.3-5.7 3.2/10635=53...(33) HG2 LYS 39 - HD3 ARG 135 far 0 100 0 - 10.0-12.8 Violated in 3 structures by 0.03 A. Peak 10641 from aliabs.peaks (7.26, 4.68, 55.23 ppm; 5.01 A): 1 out of 3 assignments used, quality = 1.00: * HD2 HIS 10 + HA HIS 10 OK 100 100 100 100 2.4-4.8 4.7=100 QE PHE 87 - HA HIS 10 far 5 96 5 - 5.1-45.5 HD2 HIS 10 - HA HIS 8 far 0 88 0 - 6.1-10.8 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 QE PHE 87 - HB3 HIS 10 far 0 96 0 - 5.2-44.4 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 3 assignments used, quality = 0.99: HD2 HIS 10 + HB2 HIS 10 OK 99 99 100 100 2.7-4.0 3.9=100 QE PHE 87 - HB2 HIS 10 far 0 99 0 - 5.1-45.9 HD2 HIS 10 - HB3 HIS 3 far 0 88 0 - 8.7-27.1 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 6 assignments used, quality = 0.89: QB ALA 12 + HA MET 11 OK 89 89 100 100 3.7-4.3 2.9/6074=94, 4.6=91...(8) QB ALA 21 - HA HIS 5 far 5 97 5 - 4.8-36.4 QB ALA 21 - HA MET 11 far 0 100 0 - 6.5-21.3 HG2 LYS 19 - HA MET 11 far 0 63 0 - 6.8-25.4 QB ALA 46 - HA HIS 5 far 0 97 0 - 7.9-50.0 HG2 LYS 19 - HA HIS 5 far 0 58 0 - 8.9-45.1 Violated in 0 structures by 0.00 A. Peak 10647 from aliabs.peaks (1.36, 2.51, 31.62 ppm; 5.51 A increased from 5.18 A): 1 out of 8 assignments used, quality = 0.99: QB ALA 12 + HG3 MET 11 OK 99 100 100 100 4.3-5.3 ~6076=59, 2.9/6078=58...(8) QB ALA 15 - HG3 MET 11 far 0 89 0 - 7.0-12.6 HG3 LYS 95 - HG3 MET 11 far 0 81 0 - 7.6-42.7 HG2 LYS 19 - HG3 MET 11 far 0 99 0 - 7.7-25.1 HG3 LYS 31 - HG3 MET 11 far 0 81 0 - 7.8-39.7 HG2 LYS 95 - HG3 MET 11 far 0 73 0 - 7.8-44.3 QB ALA 21 - HG3 MET 11 far 0 87 0 - 9.4-20.5 QB ALA 16 - HG3 MET 11 far 0 65 0 - 9.5-16.1 Violated in 0 structures by 0.00 A. Peak 10650 from aliabs.peaks (1.35, 4.65, 53.00 ppm; 5.00 A): 1 out of 4 assignments used, quality = 0.99: QB ALA 12 + HA ASN 13 OK 99 99 100 100 4.0-4.6 5.0=100 QB ALA 15 - HA ASN 13 poor 16 63 25 - 4.6-6.8 HG2 LYS 19 - HA ASN 13 far 0 89 0 - 7.3-18.4 QB ALA 21 - HA ASN 13 far 0 99 0 - 9.8-16.0 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 5 assignments used, quality = 0.00: QG1 VAL 20 - HA ASN 13 far 4 76 5 - 6.1-16.2 QD2 LEU 98 - HA ASN 13 far 0 100 0 - 7.3-34.0 QG2 VAL 20 - HA ASN 13 far 0 99 0 - 7.6-17.3 QD2 LEU 70 - HA ASN 13 far 0 63 0 - 9.0-32.0 QD1 LEU 98 - HA ASN 13 far 0 68 0 - 9.3-32.1 Violated in 20 structures by 4.63 A. Peak 10655 from aliabs.peaks (1.36, 3.92, 45.05 ppm; 4.44 A increased from 4.18 A): 4 out of 17 assignments used, quality = 1.00: QB ALA 15 + HA3 GLY 14 OK 86 87 100 99 4.1-5.0 4.9=74, 10659/3.0=59...(11) QB ALA 15 + HA2 GLY 14 OK 86 87 100 99 3.6-4.5 4.9=74, 10659/3.0=59...(10) QB ALA 110 + HA2 GLY 111 OK 54 64 85 99 4.5-5.1 4.8=77, ~7577=35...(16) QB ALA 109 + HA2 GLY 111 OK 50 54 100 93 3.7-4.7 11496/10661=50...(12) QB ALA 12 - HA3 GLY 14 poor 20 100 20 - 3.7-7.3 QB ALA 16 - HA3 GLY 14 poor 16 63 25 - 4.3-7.6 QB ALA 16 - HA2 GLY 14 poor 13 63 20 - 4.3-7.6 QB ALA 12 - HA2 GLY 14 far 10 100 10 - 3.7-7.8 QB ALA 21 - HA2 GLY 14 far 0 89 0 - 7.6-12.8 QB ALA 108 - HA2 GLY 111 far 0 69 0 - 8.0-9.2 HG2 LYS 95 - HA3 GLY 14 far 0 71 0 - 8.1-46.1 HG2 LYS 19 - HA3 GLY 14 far 0 99 0 - 8.5-15.4 HG3 LYS 95 - HA3 GLY 14 far 0 78 0 - 8.5-44.5 QB ALA 21 - HA3 GLY 14 far 0 89 0 - 8.5-13.4 HG2 LYS 95 - HA2 GLY 14 far 0 71 0 - 9.0-45.0 HG2 LYS 19 - HA2 GLY 14 far 0 99 0 - 9.3-14.7 HG3 LYS 95 - HA2 GLY 14 far 0 78 0 - 9.7-43.5 Violated in 0 structures by 0.00 A. Peak 10667 from aliabs.peaks (1.37, 3.96, 45.05 ppm; 4.36 A): 6 out of 16 assignments used, quality = 1.00: QB ALA 16 + HA2 GLY 17 OK 81 84 100 96 3.9-4.9 4.7=78, ~6130=35...(11) QB ALA 110 + HA3 GLY 111 OK 79 82 100 96 3.8-4.4 4.8=72, ~7577=33...(15) QB ALA 16 + HA3 GLY 17 OK 77 89 90 96 4.0-5.1 4.7=78, ~6130=35...(11) HG2 LYS 19 + HA2 GLY 17 OK 61 98 95 66 3.4-5.2 6151/10699=32...(3) QB ALA 109 + HA3 GLY 111 OK 46 77 65 91 4.5-5.2 10136/3.6=48...(9) HG2 LYS 19 + HA3 GLY 17 OK 34 100 60 56 2.7-5.8 10683/3.6=30...(3) QB ALA 21 - HA2 GLY 17 poor 18 59 30 - 4.1-6.4 QB ALA 21 - HA3 GLY 17 poor 6 63 35 25 3.9-6.1 10683/3.6=25 QB ALA 15 - HA3 GLY 17 lone 3 99 40 7 3.7-7.2 6131/3.0=6 QB ALA 15 - HA2 GLY 17 lone 2 96 30 7 3.9-7.3 6131/3.0=6 QB ALA 12 - HA3 GLY 17 far 0 92 0 - 5.9-15.4 QB ALA 12 - HA2 GLY 17 far 0 88 0 - 7.1-15.5 HG3 LYS 31 - HA2 GLY 17 far 0 93 0 - 8.4-29.6 QB ALA 108 - HA3 GLY 111 far 0 84 0 - 8.6-9.5 HG3 LYS 31 - HA3 GLY 17 far 0 97 0 - 9.2-28.5 HG2 LYS 24 - HA3 GLY 17 far 0 100 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 10668 from aliabs.peaks (0.89, 3.96, 45.05 ppm; 4.58 A increased from 4.31 A): 2 out of 10 assignments used, quality = 0.55: QG1 VAL 20 + HA2 GLY 17 OK 36 88 90 45 3.1-5.5 10698/10699=28...(3) QG1 VAL 20 + HA3 GLY 17 OK 30 92 100 32 2.8-5.1 10698/10699=16...(3) QG2 VAL 20 - HA3 GLY 17 far 5 100 5 - 5.0-7.8 QG2 VAL 20 - HA2 GLY 17 far 0 98 0 - 5.3-8.2 QD1 LEU 62 - HA3 GLY 111 far 0 65 0 - 5.7-9.1 QG2 VAL 63 - HA3 GLY 111 far 0 70 0 - 8.0-10.2 QD1 LEU 22 - HA2 GLY 17 far 0 97 0 - 8.7-11.9 QD1 LEU 22 - HA3 GLY 17 far 0 99 0 - 9.3-11.6 QD2 LEU 98 - HA2 GLY 17 far 0 93 0 - 9.4-36.8 QG1 VAL 118 - HA3 GLY 111 far 0 86 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 10669 from aliabs.peaks (0.90, 4.18, 69.56 ppm; 4.18 A): 0 out of 6 assignments used, quality = 0.00: QG1 VAL 20 - HB THR 18 far 0 95 0 - 5.6-6.5 QD1 LEU 22 - HB THR 25 far 0 87 0 - 5.8-9.3 QD1 LEU 22 - HB THR 18 far 0 99 0 - 6.2-10.7 QG1 VAL 20 - HB THR 25 far 0 81 0 - 6.6-12.9 QG2 VAL 20 - HB THR 25 far 0 90 0 - 6.9-11.9 QG2 VAL 20 - HB THR 18 far 0 100 0 - 7.8-8.4 Violated in 20 structures by 1.29 A. Peak 10670 from aliabs.peaks (1.35, 4.18, 69.56 ppm; 5.08 A increased from 4.06 A): 3 out of 13 assignments used, quality = 0.98: QB ALA 21 + HB THR 18 OK 91 98 100 93 4.2-5.0 10686/3.0=84...(4) HG2 LYS 19 + HB THR 18 OK 50 92 55 99 4.7-6.0 6151/6146=75...(17) HG3 LYS 26 + HB THR 25 OK 45 56 90 91 2.8-5.7 4.9/6247=61...(13) QB ALA 15 - HB THR 18 poor 14 68 20 - 4.8-9.7 QB ALA 21 - HB THR 25 far 4 86 5 - 4.2-11.7 QB ALA 29 - HB THR 25 far 3 63 5 - 4.5-12.0 QB ALA 12 - HB THR 18 far 0 100 0 - 5.8-16.8 QB ALA 28 - HB THR 25 far 0 49 0 - 6.0-10.1 HG2 LYS 24 - HB THR 25 far 0 67 0 - 6.1-7.5 QB ALA 15 - HB THR 25 far 0 56 0 - 7.0-20.3 HG2 LYS 19 - HB THR 25 far 0 78 0 - 7.2-16.8 HG2 LYS 24 - HB THR 18 far 0 81 0 - 9.2-14.8 QB ALA 28 - HB THR 18 far 0 60 0 - 9.8-22.8 Violated in 0 structures by 0.00 A. Peak 10678 from aliabs.peaks (1.81, 3.99, 62.40 ppm; 4.60 A): 2 out of 10 assignments used, quality = 1.00: HB3 LYS 19 + HA VAL 20 OK 99 99 100 100 3.8-4.5 6162/3.0=76...(21) HB3 ARG 23 + HA VAL 20 OK 31 100 35 90 2.5-6.7 6204/11783=49...(14) HB3 LYS 31 - HA VAL 20 far 5 100 5 - 4.5-21.8 HB3 LEU 122 - HA SER 50 far 0 67 0 - 6.1-9.8 HB3 LYS 24 - HA VAL 20 far 0 100 0 - 6.1-10.8 HB3 LEU 122 - HB2 SER 124 far 0 74 0 - 7.3-8.3 HB2 LYS 86 - HA VAL 20 far 0 85 0 - 8.1-32.4 HB2 CYS 79 - HA VAL 20 far 0 89 0 - 9.2-27.5 HB ILE 32 - HA VAL 20 far 0 100 0 - 9.5-19.9 HB3 LYS 26 - HA VAL 20 far 0 100 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 10679 from aliabs.peaks (1.75, 3.99, 62.40 ppm; 5.14 A increased from 4.84 A): 2 out of 9 assignments used, quality = 1.00: HB2 LYS 19 + HA VAL 20 OK 95 100 95 100 5.4-5.7 6161/3.0=83...(19) HB2 ARG 23 + HA VAL 20 OK 91 99 95 97 2.0-6.1 6203/11783=69...(14) HB2 LYS 31 - HA VAL 20 far 5 100 5 - 4.6-20.3 HB2 LYS 24 - HA VAL 20 far 5 100 5 - 5.3-10.4 HG13 ILE 129 - HB2 SER 124 far 0 99 0 - 8.1-9.7 HB2 LYS 26 - HA VAL 20 far 0 100 0 - 8.7-14.4 HG13 ILE 129 - HA SER 50 far 0 95 0 - 8.8-12.2 HB ILE 80 - HA VAL 20 far 0 97 0 - 9.6-31.1 HG3 ARG 90 - HA VAL 20 far 0 99 0 - 9.6-31.7 Violated in 0 structures by 0.00 A. Peak 10680 from aliabs.peaks (1.56, 3.99, 62.40 ppm; 4.90 A increased from 4.61 A): 4 out of 8 assignments used, quality = 1.00: HG LEU 123 + HA SER 50 OK 94 94 100 100 4.2-5.1 2.1/11874=99...(23) HG LEU 123 + HB2 SER 124 OK 82 99 85 98 4.6-5.5 7765/7769=71, ~10372=57...(10) HG2 ARG 23 + HA VAL 20 OK 67 100 75 90 3.6-7.2 6205/11783=52...(11) HB2 LEU 22 + HA VAL 20 OK 39 89 55 80 4.4-6.7 6188/10724=57...(4) HG LEU 49 - HA SER 50 far 0 89 0 - 6.3-6.5 HG LEU 49 - HB3 SER 51 far 0 68 0 - 7.9-8.8 HB2 LEU 119 - HA SER 50 far 0 82 0 - 7.9-8.6 HG LEU 123 - HB3 SER 51 far 0 73 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 10681 from aliabs.peaks (1.35, 3.99, 62.40 ppm; 5.01 A): 2 out of 9 assignments used, quality = 1.00: QB ALA 21 + HA VAL 20 OK 100 100 100 100 4.7-5.0 6181/6176=99...(18) HG2 LYS 19 + HA VAL 20 OK 85 85 100 100 4.0-4.8 3.0/10678=56...(18) HG2 LYS 24 - HA VAL 20 far 11 71 15 - 4.9-8.7 QB ALA 46 - HA SER 50 far 0 88 0 - 6.8-7.1 HB2 LEU 96 - HB2 SER 124 far 0 58 0 - 6.9-8.1 QB ALA 46 - HB3 SER 51 far 0 66 0 - 7.4-9.1 QB ALA 12 - HA VAL 20 far 0 99 0 - 7.9-20.3 HB2 LEU 96 - HA SER 50 far 0 52 0 - 8.9-9.9 QB ALA 46 - HB2 SER 124 far 0 94 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 10683 from aliabs.peaks (1.40, 2.00, 32.54 ppm; 4.58 A increased from 4.07 A): 1 out of 20 assignments used, quality = 0.65: HG2 LYS 19 + HB VAL 20 OK 65 65 100 100 4.1-4.5 10714/2.1=86, ~10712=51...(13) QB ALA 15 - HB VAL 20 far 5 90 5 - 3.9-11.3 QB ALA 15 - HB2 PRO 81 far 1 24 5 - 4.8-35.2 HG3 LYS 31 - HB VAL 20 far 0 96 0 - 5.3-22.4 QB ALA 16 - HB VAL 20 far 0 99 0 - 5.3-9.9 HG2 LYS 19 - HB3 MET 11 far 0 24 0 - 6.0-23.5 HG2 LYS 24 - HB VAL 20 far 0 81 0 - 6.1-10.9 QB ALA 15 - HB3 MET 11 far 0 37 0 - 6.1-11.3 HG2 LYS 86 - HB VAL 20 far 0 90 0 - 6.5-32.3 HG2 LYS 95 - HB3 MET 11 far 0 43 0 - 6.7-44.1 HG3 LYS 95 - HB3 MET 11 far 0 41 0 - 6.7-42.4 QB ALA 34 - HB VAL 20 far 0 89 0 - 7.5-19.1 QB ALA 16 - HB3 MET 11 far 0 44 0 - 8.4-14.4 HG2 LYS 86 - HB2 PRO 81 far 0 24 0 - 8.7-11.0 HG3 LYS 31 - HB3 MET 11 far 0 41 0 - 9.3-37.5 QB ALA 34 - HB3 MET 11 far 0 36 0 - 9.3-31.0 HG3 LYS 26 - HB VAL 20 far 0 90 0 - 9.5-16.1 QB ALA 16 - HB2 PRO 81 far 0 30 0 - 9.6-36.5 QB ALA 34 - HB2 PRO 81 far 0 23 0 - 9.7-11.6 QB ALA 28 - HB VAL 20 far 0 95 0 - 9.7-19.0 Violated in 0 structures by 0.00 A. Peak 10684 from aliabs.peaks (1.32, 2.00, 32.54 ppm; 5.46 A increased from 4.85 A): 1 out of 2 assignments used, quality = 0.80: QB ALA 21 + HB VAL 20 OK 80 81 100 100 4.1-5.4 2.9/6177=92, ~353=66...(9) QB ALA 21 - HB3 MET 11 far 0 31 0 - 8.4-19.8 Violated in 0 structures by 0.00 A. Peak 10685 from aliabs.peaks (0.67, 2.00, 32.54 ppm; 4.78 A): 0 out of 2 assignments used, quality = 0.00: QD1 LEU 43 - HB2 PRO 81 far 0 30 0 - 8.2-9.7 QD1 ILE 129 - HB3 MET 11 far 0 28 0 - 8.4-35.7 Violated in 20 structures by 4.02 A. Peak 10688 from aliabs.peaks (4.27, 0.89, 20.84 ppm; 3.63 A): 2 out of 32 assignments used, quality = 0.48: HA ARG 23 + QG2 VAL 20 OK 33 98 45 75 2.0-6.8 ~11783=17, 2.9/6201=16...(15) HA ALA 21 + QG2 VAL 20 OK 22 68 35 94 3.1-5.2 ~353=29, ~6177=28...(15) HA ALA 21 - QG1 VAL 20 poor 11 31 35 - 3.4-5.4 HA ALA 16 - QG1 VAL 20 far 8 54 15 - 2.3-8.0 HA LYS 19 - QG1 VAL 20 far 0 56 0 - 4.3-4.9 HA THR 18 - QG1 VAL 20 far 0 50 0 - 4.4-5.2 HA ARG 23 - QG1 VAL 20 far 0 52 0 - 4.5-8.4 HA LYS 31 - QG2 VAL 20 far 0 100 0 - 4.6-19.9 HA ALA 16 - QG2 VAL 20 far 0 99 0 - 4.7-10.2 HA LYS 26 - QG2 VAL 20 far 0 100 0 - 4.7-11.8 HA ALA 15 - QG1 VAL 20 far 0 51 0 - 4.9-10.3 HA LYS 31 - QG1 VAL 20 far 0 56 0 - 5.0-19.8 HA LYS 19 - QG2 VAL 20 far 0 100 0 - 5.5-6.1 HA LEU 22 - QG2 VAL 20 far 0 100 0 - 5.6-7.1 HA GLN 27 - QG2 VAL 20 far 0 78 0 - 5.6-15.1 HA ALA 12 - QG1 VAL 20 far 0 45 0 - 5.7-19.1 HA THR 25 - QG2 VAL 20 far 0 81 0 - 6.0-10.8 HA GLN 27 - QG1 VAL 20 far 0 37 0 - 6.1-15.8 HA ALA 12 - QG2 VAL 20 far 0 90 0 - 6.1-20.4 HA LYS 26 - QG1 VAL 20 far 0 56 0 - 6.2-12.6 HA THR 18 - QG2 VAL 20 far 0 96 0 - 6.2-6.9 HA PHE 87 - QG1 VAL 20 far 0 56 0 - 6.3-31.4 HA LEU 22 - QG1 VAL 20 far 0 55 0 - 6.3-7.9 HA SER 74 - QG2 VAL 20 far 0 85 0 - 6.4-23.6 HA ALA 15 - QG2 VAL 20 far 0 97 0 - 6.7-12.6 HA SER 74 - QG1 VAL 20 far 0 41 0 - 7.0-26.1 HA PHE 87 - QG2 VAL 20 far 0 100 0 - 7.2-29.0 HA THR 25 - QG1 VAL 20 far 0 38 0 - 7.6-11.9 HA ALA 28 - QG2 VAL 20 far 0 71 0 - 7.6-17.5 HA ALA 28 - QG1 VAL 20 far 0 33 0 - 9.0-18.2 HA ARG 84 - QG2 VAL 20 far 0 76 0 - 9.5-31.6 HA ARG 84 - QG1 VAL 20 far 0 36 0 - 9.8-33.9 Violated in 8 structures by 0.15 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 far 10 99 10 - 5.7-9.2 QG2 THR 18 - HA LEU 22 lone 4 99 45 9 4.4-7.9 10696/2.9=8 HG12 ILE 32 - HA LEU 22 far 0 89 0 - 7.9-17.9 QG2 VAL 77 - HA LEU 22 far 0 92 0 - 9.2-23.1 Violated in 11 structures by 0.57 A. Peak 10690 from aliabs.peaks (4.01, 0.84, 23.20 ppm; 3.58 A): 0 out of 1 assignment used, quality = 0.00: HA VAL 20 - QD2 LEU 22 far 0 73 0 - 5.8-7.3 Violated in 20 structures by 2.92 A. Peak 10693 from aliabs.peaks (1.37, 3.16, 42.99 ppm; 4.06 A): 0 out of 38 assignments used, quality = 0.00: HG2 LYS 24 - HD3 ARG 23 far 5 99 5 - 4.1-9.0 HG2 LYS 24 - HD2 ARG 23 far 5 99 5 - 4.4-8.5 HG2 LYS 19 - HD3 ARG 90 far 5 93 5 - 4.5-36.1 HG3 LYS 31 - HD2 ARG 23 far 5 91 5 - 4.3-20.8 QB ALA 21 - HD2 ARG 23 far 4 72 5 - 4.3-8.8 QB ALA 15 - HD3 ARG 90 far 0 86 0 - 5.0-32.2 QB ALA 21 - HD3 ARG 23 far 0 73 0 - 5.1-8.4 QB ALA 21 - HD2 ARG 90 far 0 59 0 - 5.2-26.0 QB ALA 28 - HD3 ARG 23 far 0 93 0 - 5.2-16.7 HG2 LYS 19 - HD2 ARG 90 far 0 89 0 - 5.3-35.2 HG3 LYS 31 - HD3 ARG 23 far 0 92 0 - 5.8-21.8 QB ALA 21 - HD3 ARG 90 far 0 63 0 - 6.0-26.7 HG3 LYS 26 - HD3 ARG 23 far 0 97 0 - 6.0-13.7 QB ALA 15 - HD2 ARG 90 far 0 82 0 - 6.0-31.7 QB ALA 15 - HD3 ARG 23 far 0 97 0 - 6.4-15.2 QB ALA 28 - HD2 ARG 23 far 0 92 0 - 6.5-15.9 QB ALA 12 - HD3 ARG 90 far 0 86 0 - 6.6-28.7 HG2 LYS 19 - HD3 ARG 23 far 0 100 0 - 6.7-10.9 HG2 LYS 19 - HD2 ARG 23 far 0 100 0 - 6.8-10.5 QB ALA 16 - HD3 ARG 23 far 0 81 0 - 7.1-14.8 HG3 LYS 26 - HD2 ARG 23 far 0 96 0 - 7.2-13.2 QB ALA 16 - HD3 ARG 90 far 0 69 0 - 7.3-34.8 QB ALA 15 - HD2 ARG 23 far 0 96 0 - 7.5-15.9 QB ALA 12 - HD2 ARG 90 far 0 82 0 - 7.6-28.9 QB ALA 16 - HD2 ARG 90 far 0 66 0 - 8.2-34.2 HG2 LYS 95 - HD3 ARG 90 far 0 76 0 - 8.3-13.3 QB ALA 16 - HD2 ARG 23 far 0 80 0 - 8.4-14.2 HG LEU 96 - HD3 ARG 90 far 0 55 0 - 8.5-11.6 HG3 LYS 95 - HD2 ARG 90 far 0 77 0 - 8.6-13.0 QB ALA 12 - HD2 ARG 23 far 0 96 0 - 9.1-23.3 HG LEU 96 - HD2 ARG 90 far 0 52 0 - 9.2-12.0 HG2 LYS 36 - HD3 ARG 23 far 0 97 0 - 9.4-25.1 QB ALA 29 - HD3 ARG 23 far 0 99 0 - 9.4-17.6 HB2 LEU 96 - HD3 ARG 90 far 0 87 0 - 9.5-12.6 QB ALA 29 - HD2 ARG 23 far 0 98 0 - 9.7-17.7 HG3 LYS 95 - HD3 ARG 90 far 0 81 0 - 9.7-12.4 HG2 LYS 95 - HD2 ARG 90 far 0 72 0 - 9.8-13.9 QB ALA 12 - HD3 ARG 23 far 0 97 0 - 10.0-23.7 Violated in 16 structures by 0.79 A. Peak 10697 from aliabs.peaks (0.74, 3.16, 42.99 ppm; 4.70 A): 2 out of 14 assignments used, quality = 0.96: QG1 VAL 93 + HD3 ARG 90 OK 84 89 95 99 3.1-5.4 11414=50, 9962/5.2=48...(18) QG1 VAL 93 + HD2 ARG 90 OK 72 85 85 99 3.6-5.9 9962/5.2=48, 11414=47...(19) QD1 ILE 32 - HD3 ARG 23 far 0 68 0 - 5.6-14.1 QD1 ILE 32 - HD2 ARG 23 far 0 67 0 - 6.1-15.2 QD1 ILE 37 - HD3 ARG 23 far 0 68 0 - 6.1-21.1 QD2 LEU 96 - HD2 ARG 90 far 0 86 0 - 6.3-9.3 QD2 LEU 96 - HD3 ARG 90 far 0 90 0 - 6.4-9.2 QD1 ILE 37 - HD2 ARG 23 far 0 67 0 - 7.4-20.6 HG12 ILE 129 - HD2 ARG 90 far 0 88 0 - 7.8-11.9 HG12 ILE 129 - HD3 ARG 90 far 0 92 0 - 7.8-12.2 QD1 ILE 37 - HD3 ARG 90 far 0 58 0 - 8.7-12.1 QD1 ILE 37 - HD2 ARG 90 far 0 54 0 - 8.9-11.2 QG1 VAL 93 - HD3 ARG 23 far 0 99 0 - 9.6-26.6 QG1 VAL 93 - HD2 ARG 23 far 0 98 0 - 9.8-26.4 Violated in 3 structures by 0.03 A. Peak 10700 from aliabs.peaks (0.78, 4.33, 56.43 ppm; 4.96 A): 2 out of 14 assignments used, quality = 0.99: QD1 LEU 103 + HA ASN 59 OK 91 91 100 100 2.8-4.0 2.1/10350=92...(22) QD2 LEU 119 + HA ASN 59 OK 86 90 100 96 2.0-3.1 10992/11000=49...(17) QD1 LEU 70 - HA LYS 24 far 0 63 0 - 5.7-22.8 QD1 LEU 53 - HA ASP 47 far 0 80 0 - 6.0-7.3 QD1 LEU 122 - HA ASN 59 far 0 66 0 - 6.0-9.1 QD1 LEU 53 - HA ASN 59 far 0 87 0 - 6.1-8.3 QD2 LEU 122 - HA ASN 59 far 0 91 0 - 6.2-9.3 QG1 VAL 63 - HA ASN 59 far 0 91 0 - 6.4-7.2 QD1 ILE 32 - HA LYS 24 far 0 90 0 - 6.7-12.1 QD2 LEU 49 - HA ASP 47 far 0 75 0 - 6.8-7.2 QD2 LEU 49 - HA ASN 59 far 0 83 0 - 7.7-8.1 QD1 LEU 122 - HA ASP 47 far 0 59 0 - 8.0-10.8 QD1 LEU 96 - HA ASP 47 far 0 78 0 - 8.6-9.0 QD1 LEU 96 - HA ASN 59 far 0 85 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 10702 from aliabs.peaks (0.89, 1.74, 32.59 ppm; 5.02 A increased from 4.23 A): 2 out of 14 assignments used, quality = 0.95: QD1 LEU 22 + HB2 LYS 24 OK 80 100 90 89 3.0-6.8 10733/6220=51...(7) QG1 VAL 20 + HB2 LYS 19 OK 76 76 100 100 4.1-4.9 10712/3.0=68...(15) QD1 LEU 22 - HB2 LYS 31 far 5 100 5 - 4.7-17.6 QD1 LEU 22 - HB2 LYS 26 far 5 100 5 - 5.5-11.6 QG2 VAL 20 - HB2 LYS 26 far 5 99 5 - 5.6-13.5 QG2 VAL 20 - HB2 LYS 31 far 5 98 5 - 4.8-19.3 QG1 VAL 20 - HB2 LYS 31 far 4 75 5 - 4.9-18.9 QG2 VAL 20 - HB2 LYS 19 far 0 99 0 - 5.8-6.6 QG2 VAL 20 - HB2 LYS 24 far 0 99 0 - 5.8-9.6 QD1 LEU 22 - HB2 LYS 19 far 0 100 0 - 6.0-10.2 QG1 VAL 20 - HB2 LYS 24 far 0 76 0 - 6.1-10.9 QG1 VAL 20 - HB2 LYS 26 far 0 76 0 - 7.2-14.2 QD2 LEU 70 - HB2 LYS 24 far 0 63 0 - 9.7-23.8 QD2 LEU 69 - HB2 LYS 39 far 0 43 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 10704 from aliabs.peaks (0.78, 1.38, 24.61 ppm; 3.99 A): 2 out of 10 assignments used, quality = 0.91: QD1 ILE 32 + HG3 LYS 26 OK 74 94 80 99 1.9-6.4 ~10767=30, 10751/3.0=24...(66) QD1 ILE 37 + HG2 LYS 36 OK 64 69 95 99 2.4-4.9 6417/6406=50...(17) QD1 ILE 32 - HG3 LYS 31 far 0 89 0 - 6.8-8.1 QD1 ILE 37 - HG3 LYS 31 far 0 89 0 - 7.8-11.0 QD1 ILE 37 - HG3 LYS 26 far 0 94 0 - 8.0-11.9 QD1 ILE 32 - HG2 LYS 36 far 0 69 0 - 8.2-9.2 QD1 ILE 32 - HG2 LYS 24 far 0 97 0 - 8.3-12.5 QG1 VAL 93 - HG2 LYS 19 far 0 57 0 - 8.4-31.3 QD1 ILE 32 - HG2 LYS 19 far 0 92 0 - 8.8-19.8 QG1 VAL 93 - HG2 LYS 24 far 0 63 0 - 9.7-23.4 Violated in 0 structures by 0.00 A. Peak 10712 from aliabs.peaks (0.89, 1.43, 24.54 ppm; 3.53 A): 2 out of 11 assignments used, quality = 0.78: QG1 VAL 20 + HG3 LYS 19 OK 70 72 100 97 2.4-3.4 10714/1.8=56...(16) QD1 LEU 22 + HG3 LYS 24 OK 24 68 50 71 2.4-7.6 10703/1.8=32...(12) QG2 VAL 20 - HG3 LYS 19 far 0 95 0 - 4.4-5.5 QG2 VAL 20 - HG2 LYS 26 far 0 99 0 - 6.0-13.7 QG2 VAL 20 - HG3 LYS 24 far 0 65 0 - 6.0-9.4 QD1 LEU 22 - HG2 LYS 26 far 0 100 0 - 6.4-12.2 QG1 VAL 20 - HG3 LYS 24 far 0 46 0 - 7.3-10.6 QD1 LEU 22 - HG3 LYS 19 far 0 97 0 - 7.8-10.4 QG1 VAL 20 - HG2 LYS 26 far 0 78 0 - 8.5-14.4 QD2 LEU 98 - HG3 LYS 24 far 0 67 0 - 8.6-30.6 QD2 LEU 70 - HG3 LYS 24 far 0 34 0 - 8.9-25.3 Violated in 0 structures by 0.00 A. Peak 10713 from aliabs.peaks (0.72, 1.43, 24.54 ppm; 4.40 A): 0 out of 2 assignments used, quality = 0.00: QG1 VAL 93 - HG3 LYS 19 far 0 60 0 - 7.4-32.1 QG1 VAL 93 - HG3 LYS 24 far 0 37 0 - 8.6-23.8 Violated in 20 structures by 9.74 A. Peak 10714 from aliabs.peaks (0.89, 1.38, 24.54 ppm; 3.50 A): 2 out of 14 assignments used, quality = 0.85: QG1 VAL 20 + HG2 LYS 19 OK 70 70 100 99 1.9-2.7 10714=77, 10712/1.8=53...(17) QD1 LEU 22 + HG2 LYS 24 OK 51 98 75 70 1.9-7.1 10733/6222=26...(12) QG2 VAL 20 - HG3 LYS 31 far 5 99 5 - 3.4-19.6 QG1 VAL 20 - HG3 LYS 31 far 0 83 0 - 4.2-19.1 QG2 VAL 20 - HG2 LYS 19 far 0 89 0 - 4.2-5.2 QG2 VAL 20 - HG2 LYS 24 far 0 97 0 - 4.8-8.4 QD1 LEU 22 - HG3 LYS 31 far 0 99 0 - 5.6-19.7 QD1 LEU 22 - HG3 LYS 26 far 0 100 0 - 5.6-11.1 QG2 VAL 20 - HG3 LYS 26 far 0 100 0 - 6.3-12.7 QG1 VAL 20 - HG2 LYS 24 far 0 80 0 - 6.6-9.6 QD1 LEU 22 - HG2 LYS 19 far 0 89 0 - 7.1-9.6 QG1 VAL 20 - HG3 LYS 26 far 0 85 0 - 7.7-13.3 QG2 VAL 20 - HG2 LYS 36 far 0 59 0 - 9.0-21.9 QD2 LEU 98 - HG2 LYS 24 far 0 96 0 - 9.9-29.2 Violated in 0 structures by 0.00 A. Peak 10716 from aliabs.peaks (0.66, 1.38, 24.54 ppm; 4.30 A): 0 out of 1 assignment used, quality = 0.00: QD1 LEU 42 - HG2 LYS 36 far 0 34 0 - 7.5-8.7 Violated in 20 structures by 3.76 A. Peak 10718 from aliabs.peaks (0.76, 1.66, 28.90 ppm; 5.06 A): 4 out of 29 assignments used, quality = 1.00: QD1 ILE 32 + HD2 LYS 26 OK 99 99 100 100 1.8-4.6 ~10767=61, 893/10763=44...(88) QD1 ILE 32 + HD3 LYS 26 OK 98 98 100 100 1.9-4.7 9008/3.0=40, 9008/3.0=38...(93) QD1 ILE 37 + HD3 LYS 36 OK 93 93 100 100 1.9-3.9 1094/10912=76, 10918=51...(18) QD1 ILE 37 + HD2 LYS 36 OK 92 92 100 100 2.6-4.4 ~10912=55, ~10818=53...(18) QG1 VAL 93 - HD3 LYS 95 far 10 95 10 - 5.4-8.0 QG1 VAL 93 - HD2 LYS 95 far 0 93 0 - 6.0-8.2 QD1 ILE 32 - HD2 LYS 31 far 0 98 0 - 6.3-8.8 QD2 LEU 96 - HD3 LYS 95 far 0 94 0 - 6.4-8.8 QD1 ILE 32 - HD3 LYS 31 far 0 99 0 - 6.5-9.3 QG1 VAL 93 - HD3 LYS 19 far 0 66 0 - 6.7-32.9 QD2 LEU 96 - HD2 LYS 95 far 0 92 0 - 6.8-9.0 QD2 LEU 122 - HD3 LYS 95 far 0 69 0 - 7.0-10.6 QD2 LEU 122 - HD2 LYS 95 far 0 67 0 - 7.1-11.2 QD1 ILE 32 - HD2 LYS 36 far 0 92 0 - 7.2-7.8 HG12 ILE 129 - HD3 LYS 95 far 0 91 0 - 7.2-10.9 HG12 ILE 129 - HD2 LYS 95 far 0 88 0 - 7.3-11.7 QG1 VAL 93 - HD2 LYS 19 far 0 71 0 - 7.6-33.2 QD1 ILE 37 - HD2 LYS 26 far 0 99 0 - 7.6-10.5 QD1 LEU 96 - HD3 LYS 95 far 0 94 0 - 7.7-9.4 QG1 VAL 93 - HD2 LYS 24 far 0 89 0 - 7.8-24.4 QD1 LEU 96 - HD2 LYS 95 far 0 92 0 - 7.8-9.5 QG1 VAL 93 - HD3 LYS 24 far 0 86 0 - 8.0-23.0 QD1 ILE 37 - HD3 LYS 31 far 0 99 0 - 8.1-10.8 QD1 ILE 37 - HD3 LYS 26 far 0 98 0 - 8.4-11.3 QD1 ILE 32 - HD3 LYS 36 far 0 93 0 - 8.5-9.1 QD1 ILE 37 - HD2 LYS 31 far 0 98 0 - 8.5-11.3 QD1 ILE 32 - HD3 LYS 24 far 0 89 0 - 8.5-12.7 QD1 ILE 32 - HD2 LYS 24 far 0 93 0 - 9.0-13.3 QD1 ILE 32 - HD3 LYS 19 far 0 70 0 - 9.7-21.6 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 20 assignments used, quality = 0.68: QG2 ILE 32 + HB3 LYS 26 OK 36 65 60 92 3.7-6.6 3.0/10751=28...(19) QG2 ILE 32 + HB2 LYS 36 OK 35 46 90 85 3.6-6.0 10892/6392=34...(8) QD1 LEU 22 + HB3 LYS 24 OK 22 80 40 68 3.6-7.8 10703/2.9=30...(6) QD2 LEU 22 - HB3 LYS 24 poor 18 71 25 - 3.6-8.3 QG2 VAL 20 - HB3 LYS 19 far 6 58 10 - 4.6-5.4 QG2 VAL 20 - HB3 LYS 31 far 0 64 0 - 5.1-20.6 QG2 VAL 20 - HB3 LYS 24 far 0 65 0 - 5.4-9.8 QD1 LEU 22 - HB3 LYS 26 far 0 81 0 - 5.5-12.0 QD2 LEU 22 - HB3 LYS 31 far 0 69 0 - 5.8-20.2 QD1 LEU 22 - HB3 LYS 31 far 0 79 0 - 5.8-18.8 QD2 LEU 22 - HB3 LYS 19 far 0 63 0 - 6.0-9.3 QD1 LEU 22 - HB3 LYS 19 far 0 73 0 - 6.1-9.4 QG2 VAL 20 - HB3 LYS 26 far 0 65 0 - 6.7-13.3 QG2 ILE 32 - HB3 LYS 31 far 0 64 0 - 6.8-7.1 QD2 LEU 22 - HB3 LYS 26 far 0 71 0 - 6.9-13.5 QG2 ILE 32 - HB3 LYS 24 far 0 65 0 - 7.2-12.3 QG2 VAL 20 - HB2 LYS 36 far 0 46 0 - 8.0-19.7 QD2 LEU 70 - HB3 LYS 24 far 0 98 0 - 8.3-24.7 QD2 LEU 98 - HB3 LYS 24 far 0 90 0 - 9.3-30.4 QG2 ILE 32 - HB3 LYS 19 far 0 58 0 - 9.5-19.8 Violated in 1 structures by 0.03 A. Peak 10721 from aliabs.peaks (0.85, 2.96, 41.80 ppm; 3.99 A increased from 3.75 A): 2 out of 22 assignments used, quality = 0.92: QG2 ILE 32 + HE2 LYS 26 OK 90 91 100 99 2.5-3.9 10840=70, 3.0/9008=27...(54) QG2 ILE 32 + HE3 LYS 26 OK 23 92 25 99 2.0-5.4 10766/1.8=54...(85) QD2 LEU 22 - HE2 LYS 24 poor 10 85 45 26 2.0-9.4 10812/3.0=9, 10812/3.0=6...(6) QD2 LEU 22 - HE3 LYS 24 poor 8 68 45 27 2.2-8.1 10812/3.0=9, 2.1/11618=7...(6) QD2 LEU 22 - HE2 LYS 26 far 0 94 0 - 5.7-14.6 QD2 LEU 22 - HE3 LYS 26 far 0 95 0 - 5.8-13.3 QG2 ILE 32 - HE3 LYS 36 far 0 91 0 - 5.9-7.5 QG2 ILE 32 - HE2 LYS 36 far 0 91 0 - 6.0-7.6 QG2 ILE 32 - HE2 LYS 31 far 0 91 0 - 6.3-9.6 QG2 ILE 32 - HE3 LYS 31 far 0 82 0 - 6.5-9.7 QD2 LEU 22 - HE3 LYS 86 far 0 59 0 - 6.8-22.8 QG1 VAL 133 - HE3 LYS 86 far 0 56 0 - 7.8-11.2 QD2 LEU 22 - HE3 LYS 19 far 0 91 0 - 7.9-12.1 QD2 LEU 22 - HE2 LYS 31 far 0 94 0 - 8.1-22.2 QD2 LEU 22 - HE3 LYS 31 far 0 85 0 - 8.5-22.6 QD2 LEU 22 - HE2 LYS 19 far 0 91 0 - 8.8-12.1 QG2 ILE 32 - HE2 LYS 19 far 0 88 0 - 8.9-22.4 QD2 LEU 70 - HE2 LYS 19 far 0 98 0 - 8.9-34.6 QD2 LEU 70 - HE3 LYS 19 far 0 98 0 - 9.2-35.1 QD1 LEU 98 - HE2 LYS 19 far 0 97 0 - 9.3-37.5 QD2 LEU 98 - HE2 LYS 19 far 0 59 0 - 9.5-39.0 QD2 LEU 98 - HE2 LYS 24 far 0 54 0 - 9.6-31.8 Violated in 0 structures by 0.00 A. Peak 10722 from aliabs.peaks (1.38, 1.96, 29.25 ppm; 5.54 A): 1 out of 8 assignments used, quality = 1.00: QB ALA 28 + HB2 GLN 27 OK 100 100 100 100 4.5-5.1 10762/1.8=97...(16) HG3 LYS 26 - HB2 GLN 27 far 10 100 10 - 4.7-7.8 QB ALA 29 - HB2 GLN 27 far 0 99 0 - 6.5-8.3 HG3 LYS 31 - HB2 GLN 27 far 0 100 0 - 7.0-11.9 HG2 LYS 24 - HB2 GLN 27 far 0 99 0 - 7.4-13.2 QB ALA 15 - HB2 GLN 27 far 0 100 0 - 7.7-23.5 HG2 LYS 19 - HB2 GLN 27 far 0 93 0 - 7.8-20.3 QB ALA 16 - HB2 GLN 27 far 0 99 0 - 9.9-21.9 Violated in 0 structures by 0.00 A. Peak 10723 from aliabs.peaks (1.37, 2.06, 29.25 ppm; 4.75 A): 1 out of 8 assignments used, quality = 0.89: QB ALA 28 + HB3 GLN 27 OK 89 89 100 100 3.1-4.5 2.9/6298=85...(18) QB ALA 21 - HB3 GLN 27 far 4 81 5 - 4.5-16.8 HG3 LYS 26 - HB3 GLN 27 far 0 93 0 - 5.5-8.0 QB ALA 29 - HB3 GLN 27 far 0 97 0 - 6.0-6.9 HG3 LYS 31 - HB3 GLN 27 far 0 87 0 - 6.9-11.8 QB ALA 15 - HB3 GLN 27 far 0 93 0 - 8.3-24.7 HG2 LYS 24 - HB3 GLN 27 far 0 98 0 - 8.4-13.9 HG2 LYS 19 - HB3 GLN 27 far 0 100 0 - 8.4-21.6 Violated in 0 structures by 0.00 A. Peak 10724 from aliabs.peaks (1.36, 2.34, 33.67 ppm; 4.07 A): 2 out of 20 assignments used, quality = 0.60: QB ALA 28 + HG3 GLN 27 OK 41 82 50 99 4.1-6.3 10723/3.0=49...(19) QB ALA 28 + HG2 GLN 27 OK 33 83 40 98 4.1-6.3 10723/3.0=49...(19) HG3 LYS 26 - HG2 GLN 27 far 9 89 10 - 4.2-7.8 QB ALA 21 - HG3 GLN 27 far 0 86 0 - 4.7-16.4 QB ALA 29 - HG2 GLN 27 far 0 93 0 - 4.7-7.5 HG3 LYS 26 - HG3 GLN 27 far 0 88 0 - 4.8-7.8 QB ALA 46 - HG2 GLN 127 far 0 65 0 - 4.9-6.6 QB ALA 29 - HG3 GLN 27 far 0 93 0 - 5.0-8.2 QB ALA 21 - HG2 GLN 27 far 0 87 0 - 5.2-16.1 HG3 LYS 31 - HG3 GLN 27 far 0 80 0 - 5.7-12.7 HG3 LYS 31 - HG2 GLN 27 far 0 81 0 - 6.0-11.9 HG2 LYS 19 - HG2 GLN 27 far 0 99 0 - 6.6-21.1 HG2 LYS 19 - HG3 GLN 27 far 0 99 0 - 6.6-20.1 HG2 LYS 24 - HG3 GLN 27 far 0 95 0 - 6.9-14.2 QB ALA 15 - HG2 GLN 27 far 0 89 0 - 6.9-23.3 QB ALA 15 - HG3 GLN 27 far 0 88 0 - 7.0-24.1 HG2 LYS 24 - HG2 GLN 27 far 0 96 0 - 7.1-13.1 HB2 LEU 96 - HG2 GLN 127 far 0 84 0 - 7.5-10.6 QB ALA 16 - HG2 GLN 27 far 0 65 0 - 9.0-22.9 QB ALA 16 - HG3 GLN 27 far 0 65 0 - 9.9-22.4 Violated in 12 structures by 0.37 A. Peak 10725 from aliabs.peaks (1.16, 2.34, 33.67 ppm; 4.61 A): 2 out of 8 assignments used, quality = 0.95: HG12 ILE 32 + HG2 GLN 27 OK 91 100 100 91 3.2-4.9 1.8/10765=40...(12) HG12 ILE 32 + HG3 GLN 27 OK 49 100 55 90 3.5-6.2 10768/3.0=33, ~10765=31...(11) QG2 THR 25 - HG2 GLN 27 poor 17 83 20 - 2.5-6.5 QG2 THR 25 - HG3 GLN 27 poor 16 82 20 - 2.0-7.4 QG2 THR 18 - HG3 GLN 27 far 5 98 5 - 4.1-18.6 QG2 THR 18 - HG2 GLN 27 far 0 99 0 - 5.5-18.9 QG2 VAL 132 - HG2 GLN 127 far 0 83 0 - 6.5-8.9 QG1 VAL 132 - HG2 GLN 127 far 0 55 0 - 9.1-11.3 Violated in 1 structures by 0.00 A. Peak 10726 from aliabs.peaks (1.17, 1.96, 29.25 ppm; 6.47 A increased from 5.75 A): 2 out of 3 assignments used, quality = 0.93: HG12 ILE 32 + HB2 GLN 27 OK 79 89 90 99 5.6-7.2 10768/1.8=68...(10) QG2 THR 25 + HB2 GLN 27 OK 64 99 100 64 2.9-6.6 10758/6271=56...(3) QG2 THR 18 - HB2 GLN 27 far 5 99 5 - 5.5-18.4 Violated in 0 structures by 0.00 A. Peak 10727 from aliabs.peaks (0.92, 2.34, 33.67 ppm; 3.91 A): 1 out of 7 assignments used, quality = 0.97: QD1 LEU 123 + HG2 GLN 127 OK 97 97 100 100 3.1-3.5 11638=100, 10437/1.8=82...(19) QG1 VAL 20 - HG2 GLN 27 far 0 92 0 - 4.7-16.5 QG1 VAL 20 - HG3 GLN 27 far 0 91 0 - 4.8-15.9 QD1 LEU 49 - HG2 GLN 127 far 0 91 0 - 6.0-8.3 QD2 LEU 48 - HG2 GLN 127 far 0 57 0 - 8.9-12.3 QD1 LEU 48 - HG2 GLN 127 far 0 88 0 - 9.5-12.4 QD1 LEU 62 - HG2 GLN 127 far 0 92 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 10728 from aliabs.peaks (1.37, 4.25, 55.75 ppm; 4.97 A increased from 4.19 A): 2 out of 8 assignments used, quality = 0.98: QB ALA 28 + HA GLN 27 OK 97 97 100 100 3.7-5.0 6304/3.6=90...(14) HG3 LYS 26 + HA GLN 27 OK 29 99 30 99 4.4-6.6 ~6263=49, ~6262=48...(23) QB ALA 29 - HA GLN 27 far 15 100 15 - 5.4-7.9 QB ALA 21 - HA GLN 27 far 0 65 0 - 6.1-15.0 QB ALA 15 - HA GLN 27 far 0 99 0 - 8.7-23.4 HG2 LYS 19 - HA GLN 27 far 0 100 0 - 8.7-19.9 HG3 LYS 31 - HA GLN 27 far 0 96 0 - 8.9-12.5 HG2 LYS 24 - HA GLN 27 far 0 100 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 10730 from aliabs.peaks (0.79, 1.38, 19.04 ppm; 3.32 A increased from 3.12 A): 1 out of 32 assignments used, quality = 0.83: QD1 ILE 32 + QB ALA 29 OK 83 84 100 99 2.9-3.3 3.2/10790=46...(25) QD1 ILE 32 - QB ALA 28 far 13 89 15 - 3.8-4.9 QD2 LEU 119 - QB ALA 109 far 5 99 5 - 3.6-4.6 QD1 LEU 70 - QB ALA 15 far 3 64 5 - 2.0-26.0 QD1 LEU 103 - QB ALA 109 far 0 99 0 - 4.0-4.9 QD1 LEU 70 - QB ALA 16 far 0 59 0 - 4.6-28.7 QG2 ILE 80 - QB ALA 15 far 0 56 0 - 5.0-28.9 QD1 LEU 103 - QB ALA 108 far 0 95 0 - 5.8-6.3 QD1 ILE 37 - QB ALA 15 far 0 88 0 - 5.9-23.6 QD2 LEU 119 - QB ALA 110 far 0 97 0 - 6.6-8.1 QD1 LEU 96 - QB ALA 15 far 0 95 0 - 6.7-30.2 QD1 LEU 103 - QB ALA 110 far 0 97 0 - 7.1-8.4 QD1 ILE 37 - QB ALA 29 far 0 84 0 - 7.2-9.2 QD2 LEU 119 - QB ALA 108 far 0 95 0 - 7.4-8.0 QG1 VAL 63 - QB ALA 108 far 0 95 0 - 7.6-8.5 QD2 LEU 122 - QB ALA 109 far 0 99 0 - 7.9-10.4 QG1 VAL 63 - QB ALA 109 far 0 99 0 - 7.9-8.8 QD1 LEU 122 - QB ALA 109 far 0 79 0 - 8.2-10.7 QG2 ILE 80 - QB ALA 16 far 0 51 0 - 8.3-30.3 QD1 LEU 122 - QB ALA 15 far 0 80 0 - 8.3-31.7 QD2 LEU 122 - QB ALA 15 far 0 100 0 - 8.4-31.9 QD1 LEU 53 - QB ALA 109 far 0 97 0 - 8.4-10.4 HG13 ILE 80 - QB ALA 15 far 0 64 0 - 8.5-33.7 QG1 VAL 63 - QB ALA 110 far 0 97 0 - 8.5-10.4 QD2 LEU 49 - QB ALA 15 far 0 95 0 - 8.5-31.8 QG1 VAL 63 - QB ALA 15 far 0 100 0 - 8.7-29.2 QD1 ILE 32 - QB ALA 15 far 0 88 0 - 8.7-20.8 QD1 ILE 37 - QB ALA 16 far 0 81 0 - 9.2-25.7 QD2 LEU 122 - QB ALA 108 far 0 95 0 - 9.3-11.7 QD1 LEU 96 - QB ALA 16 far 0 89 0 - 9.4-33.0 QD1 LEU 122 - QB ALA 108 far 0 73 0 - 9.4-11.8 QD2 LEU 49 - QB ALA 109 far 0 94 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 10732 from aliabs.peaks (0.92, 1.38, 19.04 ppm; 3.19 A): 1 out of 28 assignments used, quality = 0.98: QG2 VAL 112 + QB ALA 109 OK 98 98 100 100 1.7-2.0 11496=98, 11771/2.1=45...(19) QG2 VAL 112 - QB ALA 110 far 14 96 15 - 3.5-4.4 QG1 VAL 20 - QB ALA 15 far 5 97 5 - 3.6-8.4 QG1 VAL 20 - QB ALA 16 far 5 92 5 - 3.1-7.1 QD1 LEU 119 - QB ALA 109 far 4 79 5 - 3.6-4.7 QG2 VAL 20 - QB ALA 15 far 0 72 0 - 4.5-10.1 QG2 VAL 20 - QB ALA 16 far 0 66 0 - 4.8-8.9 QG2 VAL 112 - QB ALA 108 far 0 94 0 - 5.4-6.2 QD1 LEU 62 - QB ALA 109 far 0 99 0 - 5.5-6.3 QG2 VAL 63 - QB ALA 109 far 0 98 0 - 5.9-6.8 QG2 VAL 63 - QB ALA 108 far 0 93 0 - 6.3-7.2 QG1 VAL 118 - QB ALA 109 far 0 71 0 - 6.4-7.5 QG2 VAL 20 - QB ALA 28 far 0 73 0 - 6.6-15.9 QG2 VAL 63 - QB ALA 110 far 0 96 0 - 7.0-8.7 QD1 LEU 119 - QB ALA 108 far 0 73 0 - 7.4-8.1 QD1 LEU 119 - QB ALA 110 far 0 76 0 - 7.4-8.9 QG2 ILE 37 - QB ALA 15 far 0 88 0 - 7.5-25.6 QG1 VAL 57 - QB ALA 109 far 0 69 0 - 7.5-8.8 QG1 VAL 118 - QB ALA 108 far 0 66 0 - 7.5-8.8 QD1 LEU 62 - QB ALA 110 far 0 97 0 - 7.5-9.4 QG1 VAL 57 - QB ALA 110 far 0 66 0 - 7.8-9.0 QD1 LEU 49 - QB ALA 15 far 0 99 0 - 8.3-31.2 QG1 VAL 20 - QB ALA 28 far 0 98 0 - 8.4-16.3 QG2 VAL 20 - QB ALA 29 far 0 69 0 - 8.6-16.6 QD1 LEU 62 - QB ALA 108 far 0 95 0 - 8.7-9.4 QG2 ILE 37 - QB ALA 29 far 0 84 0 - 9.0-11.0 QG1 VAL 20 - QB ALA 29 far 0 94 0 - 9.2-17.1 QG1 VAL 118 - QB ALA 110 far 0 69 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 10733 from aliabs.peaks (1.72, 4.23, 52.30 ppm; 4.38 A): 0 out of 6 assignments used, quality = 0.00: HB2 LYS 26 - HA ALA 29 far 10 68 15 - 4.9-8.5 HB2 LYS 26 - HA ALA 28 far 6 40 15 - 4.3-8.0 HB2 LYS 31 - HA ALA 29 far 0 73 0 - 6.4-7.1 HB2 LYS 24 - HA ALA 28 far 0 41 0 - 8.4-13.7 HB2 LYS 31 - HA ALA 28 far 0 43 0 - 8.5-9.9 HB2 LYS 24 - HA ALA 29 far 0 71 0 - 9.4-14.8 Violated in 17 structures by 0.97 A. Peak 10734 from aliabs.peaks (1.82, 4.23, 52.30 ppm; 3.30 A): 1 out of 10 assignments used, quality = 0.99: HB ILE 32 + HA ALA 29 OK 99 100 100 100 1.9-2.5 10818=67, 2.1/10751=55...(19) HB3 LYS 26 - HA ALA 29 far 0 100 0 - 3.9-7.0 HB3 LYS 26 - HA ALA 28 far 0 69 0 - 4.0-7.0 HB ILE 32 - HA ALA 28 far 0 68 0 - 5.9-7.1 HB2 LYS 36 - HA ALA 29 far 0 100 0 - 6.4-8.4 HB3 LYS 31 - HA ALA 29 far 0 100 0 - 7.0-7.5 HB3 ARG 23 - HA ALA 28 far 0 69 0 - 7.7-16.0 HB3 LYS 31 - HA ALA 28 far 0 68 0 - 9.0-10.2 HB3 LYS 24 - HA ALA 28 far 0 69 0 - 9.3-14.5 HB3 LYS 24 - HA ALA 29 far 0 100 0 - 9.4-15.8 Violated in 0 structures by 0.00 A. Peak 10735 from aliabs.peaks (1.94, 4.23, 52.30 ppm; 5.25 A increased from 4.42 A): 3 out of 4 assignments used, quality = 1.00: HB2 GLU 30 + HA ALA 29 OK 100 100 100 100 4.9-5.3 6318/3.6=85...(17) HB2 GLU 30 + HA ALA 28 OK 69 69 100 100 4.9-5.7 10791/2.1=99, ~10744=58...(18) HB2 GLN 27 + HA ALA 28 OK 36 40 90 100 4.7-6.4 1.8/10785=78, ~6298=70...(20) HB2 GLN 27 - HA ALA 29 far 0 68 0 - 6.8-8.5 Violated in 0 structures by 0.00 A. Peak 10736 from aliabs.peaks (2.34, 4.23, 52.30 ppm; 6.37 A increased from 5.10 A): 4 out of 4 assignments used, quality = 0.99: HG2 GLN 27 + HA ALA 29 OK 83 100 90 93 3.9-7.3 ~10788=66...(9) HG2 GLN 27 + HA ALA 28 OK 69 69 100 100 4.3-6.6 3.0/10785=85, ~10762=76...(20) HG3 GLN 27 + HA ALA 28 OK 66 69 95 100 4.6-7.1 3.0/10785=85, ~10762=76...(21) HG3 GLN 27 + HA ALA 29 OK 53 100 60 88 4.1-8.4 ~10788=66...(8) Violated in 0 structures by 0.00 A. Peak 10737 from aliabs.peaks (0.77, 4.23, 52.30 ppm; 3.71 A): 2 out of 3 assignments used, quality = 1.00: QD1 ILE 32 + HA ALA 29 OK 100 100 100 100 1.9-2.2 10739/2.1=78, 9007=77...(16) QD1 ILE 32 + HA ALA 28 OK 30 68 70 63 2.6-5.2 9007=22, 934/3.6=20...(8) QD1 ILE 37 - HA ALA 29 far 0 100 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 10738 from aliabs.peaks (1.16, 4.23, 52.30 ppm; 4.18 A): 1 out of 6 assignments used, quality = 1.00: HG12 ILE 32 + HA ALA 29 OK 100 100 100 100 3.3-3.5 2.9/10734=78...(24) QG2 THR 25 - HA ALA 28 far 3 53 5 - 4.8-8.4 HG12 ILE 32 - HA ALA 28 far 0 68 0 - 4.8-7.5 QG2 THR 25 - HA ALA 29 far 0 87 0 - 5.9-9.5 QG2 THR 18 - HA ALA 28 far 0 67 0 - 7.6-20.6 QG2 THR 18 - HA ALA 29 far 0 99 0 - 9.8-22.2 Violated in 0 structures by 0.00 A. Peak 10739 from aliabs.peaks (0.77, 1.38, 19.00 ppm; 3.31 A increased from 3.11 A): 1 out of 32 assignments used, quality = 0.99: QD1 ILE 32 + QB ALA 29 OK 99 100 100 99 2.9-3.3 9007/2.1=49...(25) QD1 ILE 32 - QB ALA 28 far 15 98 15 - 3.8-4.9 QD2 LEU 119 - QB ALA 109 far 4 72 5 - 3.6-4.6 QG1 VAL 93 - QB ALA 15 far 0 81 0 - 4.0-27.5 QD1 LEU 103 - QB ALA 109 far 0 85 0 - 4.0-4.9 QD2 LEU 96 - QB ALA 15 far 0 79 0 - 5.5-29.5 QD1 LEU 103 - QB ALA 108 far 0 89 0 - 5.8-6.3 QD1 ILE 37 - QB ALA 15 far 0 99 0 - 5.9-23.6 QG1 VAL 93 - QB ALA 16 far 0 59 0 - 6.0-29.9 QD2 LEU 119 - QB ALA 110 far 0 75 0 - 6.6-8.1 QD1 LEU 96 - QB ALA 15 far 0 99 0 - 6.7-30.2 QG1 VAL 93 - QB ALA 12 far 0 42 0 - 7.1-23.3 QD1 LEU 103 - QB ALA 110 far 0 88 0 - 7.1-8.4 QD1 ILE 37 - QB ALA 29 far 0 100 0 - 7.2-9.2 QD1 ILE 37 - QB ALA 12 far 0 58 0 - 7.4-28.2 QD2 LEU 119 - QB ALA 108 far 0 76 0 - 7.4-8.0 QG1 VAL 63 - QB ALA 108 far 0 88 0 - 7.6-8.5 QD2 LEU 122 - QB ALA 109 far 0 78 0 - 7.9-10.4 QG1 VAL 63 - QB ALA 109 far 0 84 0 - 7.9-8.8 QD1 ILE 32 - QB ALA 12 far 0 58 0 - 8.3-27.2 QD2 LEU 122 - QB ALA 15 far 0 89 0 - 8.4-31.9 QD2 LEU 96 - QB ALA 16 far 0 57 0 - 8.4-32.0 QD1 LEU 53 - QB ALA 109 far 0 64 0 - 8.4-10.4 QG1 VAL 63 - QB ALA 110 far 0 87 0 - 8.5-10.4 QD2 LEU 49 - QB ALA 15 far 0 64 0 - 8.5-31.8 QG1 VAL 63 - QB ALA 15 far 0 94 0 - 8.7-29.2 QD1 ILE 32 - QB ALA 15 far 0 99 0 - 8.7-20.8 QD1 ILE 37 - QB ALA 16 far 0 80 0 - 9.2-25.7 QD2 LEU 122 - QB ALA 108 far 0 82 0 - 9.3-11.7 QD1 LEU 96 - QB ALA 16 far 0 79 0 - 9.4-33.0 QD2 LEU 96 - QB ALA 12 far 0 40 0 - 9.4-25.5 QD2 LEU 49 - QB ALA 109 far 0 54 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 10740 from aliabs.peaks (1.37, 4.21, 56.25 ppm; 4.26 A increased from 4.01 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 29 + HA GLU 30 OK 99 100 100 99 3.8-4.2 3.7/759=73, 4.9=66...(16) QB ALA 28 + HA GLU 30 OK 96 97 100 99 3.9-4.7 10791/3.0=73...(15) HG3 LYS 31 - HA GLU 30 far 0 97 0 - 6.5-7.6 HG3 LYS 26 - HA GLU 30 far 0 99 0 - 7.8-11.4 QB ALA 12 - HA GLU 30 far 0 92 0 - 10.0-35.6 Violated in 0 structures by 0.00 A. Peak 10741 from aliabs.peaks (1.38, 1.94, 29.75 ppm; 4.21 A): 1 out of 14 assignments used, quality = 1.00: QB ALA 28 + HB2 GLU 30 OK 100 100 100 100 2.4-3.6 10791=99, 10744/3.0=60...(12) QB ALA 15 - HB3 ARG 90 far 4 70 5 - 4.7-33.1 QB ALA 12 - HB3 ARG 90 far 2 44 5 - 4.5-29.1 QB ALA 29 - HB2 GLU 30 far 0 100 0 - 4.8-5.3 HG3 LYS 26 - HB2 GLU 30 far 0 100 0 - 5.4-10.6 HG3 LYS 31 - HB2 GLU 30 far 0 100 0 - 6.3-7.1 HG2 LYS 19 - HB3 ARG 90 far 0 62 0 - 7.0-37.4 HG3 LYS 95 - HB3 ARG 90 far 0 70 0 - 7.2-9.9 HG2 LYS 95 - HB3 ARG 90 far 0 69 0 - 7.3-10.6 QB ALA 16 - HB3 ARG 90 far 0 67 0 - 8.0-35.7 HG LEU 96 - HB3 ARG 90 far 0 61 0 - 9.5-10.3 QB ALA 16 - HB2 GLU 30 far 0 99 0 - 9.8-25.1 QB ALA 12 - HB2 GLU 30 far 0 73 0 - 9.8-33.5 HG2 LYS 24 - HB2 GLU 30 far 0 99 0 - 9.9-18.2 Violated in 0 structures by 0.00 A. Peak 10742 from aliabs.peaks (1.40, 2.01, 29.75 ppm; 4.87 A increased from 4.33 A): 2 out of 9 assignments used, quality = 0.95: QB ALA 28 + HB3 GLU 30 OK 90 90 100 100 3.0-5.0 10791/1.8=77...(12) HG13 ILE 32 + HB3 GLU 30 OK 53 63 90 94 4.7-5.9 5.2/10830=43...(9) HG3 LYS 31 - HB3 GLU 30 far 14 92 15 - 5.3-7.3 QB ALA 29 - HB3 GLU 30 far 4 78 5 - 5.2-6.0 HG3 LYS 26 - HB3 GLU 30 far 0 85 0 - 6.0-11.9 QB ALA 16 - HB3 GLU 30 far 0 98 0 - 8.7-25.6 HG2 LYS 19 - HB3 GLU 30 far 0 57 0 - 9.0-24.1 HG2 LYS 24 - HB3 GLU 30 far 0 73 0 - 9.8-19.4 QB ALA 34 - HB3 GLU 30 far 0 93 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 10743 from aliabs.peaks (1.39, 2.27, 35.39 ppm; 4.47 A increased from 4.21 A): 1 out of 7 assignments used, quality = 0.99: QB ALA 28 + HG2 GLU 30 OK 99 100 100 99 3.1-4.5 10791/3.0=79...(13) QB ALA 29 - HG2 GLU 30 far 5 99 5 - 4.8-6.9 HG3 LYS 31 - HG2 GLU 30 far 0 100 0 - 5.7-8.7 HB2 LEU 42 - HG2 GLU 40 far 0 57 0 - 7.1-8.2 HG3 LYS 26 - HG2 GLU 30 far 0 100 0 - 7.3-12.7 HG2 LYS 24 - HG2 GLU 30 far 0 97 0 - 9.4-20.5 HG2 LYS 36 - HG2 GLU 40 far 0 63 0 - 9.7-11.9 Violated in 1 structures by 0.00 A. Peak 10744 from aliabs.peaks (1.39, 2.31, 35.39 ppm; 4.24 A): 1 out of 6 assignments used, quality = 0.94: QB ALA 28 + HG3 GLU 30 OK 94 100 95 99 2.3-4.9 10792=76, 10791/3.0=72...(13) QB ALA 29 - HG3 GLU 30 far 10 97 10 - 4.7-6.5 HG3 LYS 31 - HG3 GLU 30 far 5 100 5 - 4.3-8.8 HB2 LEU 42 - HG2 GLU 40 far 0 53 0 - 7.1-8.2 HG3 LYS 26 - HG3 GLU 30 far 0 99 0 - 8.1-12.1 HG2 LYS 36 - HG2 GLU 40 far 0 61 0 - 9.7-11.9 Violated in 1 structures by 0.03 A. Peak 10747 from aliabs.peaks (7.14, 0.77, 12.40 ppm; 6.12 A): 1 out of 1 assignment used, quality = 0.75: QD TYR 72 + QD1 ILE 37 OK 75 75 100 100 1.8-2.2 9022/1094=100, 9528=97...(38) Violated in 0 structures by 0.00 A. Peak 10748 from aliabs.peaks (6.80, 0.77, 12.40 ppm; 4.96 A): 1 out of 2 assignments used, quality = 0.74: QE TYR 72 + QD1 ILE 37 OK 74 74 100 100 2.4-3.7 9021/1094=86...(20) HE21 GLN 68 - QD1 ILE 37 far 0 58 0 - 8.1-10.1 Violated in 0 structures by 0.00 A. Peak 10749 from aliabs.peaks (4.55, 0.77, 12.10 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: HA TYR 72 + QD1 ILE 37 OK 100 100 100 100 2.2-3.2 3.4/10839=56...(23) HA SER 38 - QD1 ILE 37 far 0 100 0 - 5.9-6.0 Violated in 0 structures by 0.00 A. Peak 10750 from aliabs.peaks (4.24, 1.15, 27.21 ppm; 4.71 A): 1 out of 6 assignments used, quality = 0.98: HA ALA 29 + HG12 ILE 32 OK 98 98 100 100 3.3-3.5 10738=96, 10734/2.9=86...(24) HA GLN 27 - HG12 ILE 32 poor 19 97 20 - 3.1-7.5 HA ALA 28 - HG12 ILE 32 far 15 99 15 - 4.8-7.5 HA GLU 30 - HG12 ILE 32 far 0 81 0 - 6.3-7.3 HA ALA 34 - HG12 ILE 32 far 0 78 0 - 7.0-8.5 HA LEU 22 - HG12 ILE 32 far 0 60 0 - 7.9-17.9 Violated in 0 structures by 0.00 A. Peak 10751 from aliabs.peaks (4.23, 0.84, 17.13 ppm; 3.71 A): 1 out of 11 assignments used, quality = 1.00: HA ALA 29 + QG2 ILE 32 OK 100 100 100 100 3.0-3.5 10734/2.1=78...(20) HA ALA 34 - QG2 ILE 32 far 9 90 10 - 4.2-4.8 HA GLN 27 - QG2 ILE 32 far 0 89 0 - 4.4-8.3 HA ALA 28 - QG2 ILE 32 far 0 93 0 - 5.5-7.1 HA ALA 88 - QG2 ILE 129 far 0 32 0 - 6.4-7.5 HA GLU 30 - QG2 ILE 32 far 0 92 0 - 6.5-7.2 HA SER 94 - QG2 ILE 129 far 0 53 0 - 7.3-7.8 HB3 SER 38 - QG2 ILE 32 far 0 92 0 - 9.0-11.1 HA SER 124 - QG2 ILE 129 far 0 48 0 - 9.0-9.3 HA HIS 67 - QG2 ILE 129 far 0 35 0 - 9.1-10.1 HA ALA 34 - QG2 ILE 129 far 0 45 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 10752 from aliabs.peaks (4.24, 1.81, 38.56 ppm; 4.13 A): 1 out of 8 assignments used, quality = 0.92: HA ALA 29 + HB ILE 32 OK 92 92 100 100 1.9-2.5 10783=87, 2.1/10790=78...(20) HA LYS 26 - HB ILE 32 far 0 68 0 - 4.8-10.0 HA LYS 31 - HB ILE 32 far 0 63 0 - 4.8-5.6 HA GLU 30 - HB ILE 32 far 0 65 0 - 5.4-6.3 HA GLN 27 - HB ILE 32 far 0 100 0 - 5.4-9.6 HA ALA 28 - HB ILE 32 far 0 100 0 - 5.9-7.1 HA ALA 34 - HB ILE 32 far 0 63 0 - 6.9-7.9 HA LEU 22 - HB ILE 32 far 0 76 0 - 9.7-20.5 Violated in 0 structures by 0.00 A. Peak 10753 from aliabs.peaks (4.24, 4.11, 60.96 ppm; 4.85 A increased from 4.09 A): 1 out of 6 assignments used, quality = 0.98: HA ALA 29 + HA ILE 32 OK 98 98 100 100 4.4-4.8 10734/3.0=88...(14) HA GLN 27 - HA ILE 32 poor 19 97 20 - 5.1-9.9 HA ALA 34 - HA ILE 32 far 0 78 0 - 6.6-6.9 HA GLU 30 - HA ILE 32 far 0 81 0 - 6.8-7.3 HA ALA 28 - HA ILE 32 far 0 99 0 - 6.9-9.4 HA LEU 22 - HA ILE 32 far 0 60 0 - 9.9-19.1 Violated in 0 structures by 0.00 A. Peak 10754 from aliabs.peaks (2.65, 4.11, 60.96 ppm; 4.02 A): 0 out of 1 assignment used, quality = 0.00: HB2 ASP 35 - HA ILE 32 far 0 100 0 - 5.9-7.3 Violated in 20 structures by 2.69 A. Peak 10755 from aliabs.peaks (2.73, 4.11, 60.96 ppm; 4.49 A): 0 out of 1 assignment used, quality = 0.00: HB3 ASP 35 - HA ILE 32 far 0 100 0 - 5.2-6.6 Violated in 20 structures by 1.41 A. Peak 10756 from aliabs.peaks (4.23, 1.43, 27.21 ppm; 4.59 A): 3 out of 5 assignments used, quality = 1.00: HA ALA 29 + HG13 ILE 32 OK 100 100 100 100 1.7-2.1 10738/1.8=87...(21) HA GLU 30 + HG13 ILE 32 OK 78 96 85 96 4.9-5.7 3.0/10769=65...(13) HA ALA 28 + HG13 ILE 32 OK 40 89 55 82 4.1-6.0 ~10772=32, 10780/2.1=31...(10) HA GLN 27 - HG13 ILE 32 poor 17 83 20 - 3.6-7.3 HA ALA 34 - HG13 ILE 32 far 0 95 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 10757 from aliabs.peaks (4.29, 1.43, 27.21 ppm; 5.72 A): 2 out of 6 assignments used, quality = 0.85: HA LYS 31 + HG13 ILE 32 OK 78 78 100 100 5.0-5.6 3.6/6355=96, 3.0/6333=63...(7) HA LYS 26 + HG13 ILE 32 OK 32 73 45 98 3.1-8.1 ~10751=31, 3.6/6264=29...(21) HA THR 25 - HG13 ILE 32 far 5 100 5 - 6.0-10.6 HA ARG 23 - HG13 ILE 32 far 0 93 0 - 6.6-14.3 HA LEU 22 - HG13 ILE 32 far 0 65 0 - 7.6-19.1 HA LYS 36 - HG13 ILE 32 far 0 99 0 - 8.5-10.0 Violated in 0 structures by 0.00 A. Peak 10758 from aliabs.peaks (4.37, 1.43, 27.21 ppm; 6.72 A increased from 5.97 A): 1 out of 1 assignment used, quality = 0.71: HA SER 33 + HG13 ILE 32 OK 71 71 100 100 6.5-6.6 10828/3.2=91, ~6363=87...(18) Violated in 0 structures by 0.00 A. Peak 10759 from aliabs.peaks (4.31, 0.77, 12.40 ppm; 5.09 A increased from 4.79 A): 3 out of 12 assignments used, quality = 0.95: HA TYR 76 + QD1 ILE 37 OK 76 76 100 100 3.4-5.2 10833/1094=92...(20) HA2 GLY 75 + QD1 ILE 37 OK 64 65 100 100 3.9-5.5 1.8/9608=88, 9604=76...(9) HA LYS 36 + QD1 ILE 37 OK 42 45 95 100 4.7-5.9 3.6/6417=84, ~10916=47...(18) HA THR 25 - QD1 ILE 32 far 8 83 10 - 3.0-8.7 HA LYS 36 - QD1 ILE 32 far 0 68 0 - 6.6-8.3 HA LYS 24 - QD1 ILE 32 far 0 85 0 - 6.7-12.1 HA SER 74 - QD1 ILE 37 far 0 52 0 - 6.8-8.1 HA2 GLY 75 - QD1 ILE 32 far 0 92 0 - 7.3-10.3 HA THR 18 - QD1 ILE 32 far 0 60 0 - 8.7-20.1 HA THR 25 - QD1 ILE 37 far 0 56 0 - 8.7-14.2 HA ALA 21 - QD1 ILE 32 far 0 92 0 - 9.1-17.1 HA TYR 76 - QD1 ILE 32 far 0 100 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 10760 from aliabs.peaks (4.39, 0.84, 17.13 ppm; 3.86 A): 2 out of 7 assignments used, quality = 1.00: HA SER 33 + QG2 ILE 32 OK 100 100 100 100 3.0-3.5 10777=93, 3.0/6362=71...(27) HA CYS 73 + QG2 ILE 129 OK 43 48 100 89 3.2-4.0 9570/9083=44, 11142=27...(17) HA ASP 78 - QG2 ILE 32 far 0 99 0 - 8.1-11.8 HA ASP 71 - QG2 ILE 129 far 0 31 0 - 8.5-9.2 HA ASP 71 - QG2 ILE 32 far 0 68 0 - 8.8-10.3 HA ASP 78 - QG2 ILE 129 far 0 54 0 - 9.4-9.7 HA SER 9 - QG2 ILE 129 far 0 51 0 - 9.4-38.2 Violated in 0 structures by 0.00 A. Peak 10761 from aliabs.peaks (4.40, 1.81, 38.56 ppm; 5.85 A): 1 out of 1 assignment used, quality = 0.97: HA SER 33 + HB ILE 32 OK 97 97 100 100 4.4-5.0 3.0/6361=100...(22) Violated in 0 structures by 0.00 A. Peak 10762 from aliabs.peaks (1.35, 4.11, 60.96 ppm; 5.87 A increased from 4.94 A): 1 out of 4 assignments used, quality = 0.65: QB ALA 29 + HA ILE 32 OK 65 65 100 100 5.4-5.8 2.1/10820=96, ~10734=80...(16) QB ALA 12 - HA ILE 32 far 0 99 0 - 6.6-31.9 HG2 LYS 36 - HA ILE 32 far 0 60 0 - 8.7-8.9 HG2 LYS 24 - HA ILE 32 far 0 71 0 - 8.7-16.5 Violated in 0 structures by 0.00 A. Peak 10763 from aliabs.peaks (1.66, 4.11, 60.96 ppm; 4.39 A): 2 out of 6 assignments used, quality = 0.81: HD2 LYS 26 + HA ILE 32 OK 69 100 70 98 2.0-7.2 10833/3.0=33...(57) HD3 LYS 26 + HA ILE 32 OK 39 100 40 98 2.8-6.4 ~10833=26, ~10766=25...(57) HD3 LYS 31 - HA ILE 32 far 10 99 10 - 4.4-7.6 HD2 LYS 31 - HA ILE 32 far 5 98 5 - 4.4-7.4 HD2 LYS 36 - HA ILE 32 far 0 100 0 - 6.4-6.6 HD3 LYS 36 - HA ILE 32 far 0 100 0 - 7.8-8.1 Violated in 8 structures by 0.34 A. Peak 10764 from aliabs.peaks (2.81, 1.81, 38.56 ppm; 5.95 A): 0 out of 0 assignments used, quality = 0.00: Peak 10765 from aliabs.peaks (0.27, 1.81, 38.56 ppm; 6.50 A): 0 out of 0 assignments used, quality = 0.00: Peak 10766 from aliabs.peaks (2.96, 0.84, 17.13 ppm; 3.92 A increased from 3.69 A): 2 out of 13 assignments used, quality = 0.99: HE2 LYS 26 + QG2 ILE 32 OK 99 100 100 99 2.5-3.9 10757=64, 9008/930=28...(54) HE3 LYS 26 + QG2 ILE 32 OK 25 100 25 99 2.0-5.4 1.8/10757=49...(82) HE3 LYS 36 - QG2 ILE 32 far 0 100 0 - 5.9-7.5 HE2 LYS 36 - QG2 ILE 32 far 0 100 0 - 6.0-7.6 HE2 LYS 31 - QG2 ILE 32 far 0 100 0 - 6.3-9.6 HE3 LYS 31 - QG2 ILE 32 far 0 100 0 - 6.5-9.7 HB2 CYS 45 - QG2 ILE 129 far 0 35 0 - 6.7-8.1 HE2 LYS 39 - QG2 ILE 129 far 0 27 0 - 7.5-9.0 HE3 LYS 86 - QG2 ILE 129 far 0 55 0 - 8.2-9.2 HE3 LYS 39 - QG2 ILE 129 far 0 27 0 - 8.5-9.5 HE2 LYS 19 - QG2 ILE 32 far 0 100 0 - 8.9-22.4 HE3 LYS 19 - QG2 ILE 129 far 0 55 0 - 9.3-36.2 HE2 LYS 19 - QG2 ILE 129 far 0 55 0 - 9.8-35.8 Violated in 0 structures by 0.00 A. Peak 10767 from aliabs.peaks (1.69, 1.15, 27.21 ppm; 4.82 A): 1 out of 3 assignments used, quality = 0.63: HD3 LYS 26 + HG12 ILE 32 OK 63 63 100 100 2.4-4.9 ~10833=32, ~10766=31...(95) HD2 LYS 36 - HG12 ILE 32 far 0 63 0 - 7.9-8.6 HD3 LYS 36 - HG12 ILE 32 far 0 60 0 - 9.3-10.1 Violated in 2 structures by 0.00 A. Peak 10768 from aliabs.peaks (2.09, 1.15, 27.21 ppm; 6.62 A increased from 5.88 A): 1 out of 1 assignment used, quality = 0.56: HB3 GLN 27 + HG12 ILE 32 OK 56 57 100 98 5.0-6.4 3.0/10725=63...(9) Violated in 0 structures by 0.00 A. Peak 10769 from aliabs.peaks (1.93, 1.43, 27.21 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.95: HB2 GLU 30 + HG13 ILE 32 OK 95 100 100 95 4.1-4.7 10829/6355=53...(14) Violated in 2 structures by 0.01 A. Peak 10770 from aliabs.peaks (2.29, 1.43, 27.21 ppm; 6.57 A increased from 5.26 A): 2 out of 2 assignments used, quality = 0.98: HG2 GLU 30 + HG13 ILE 32 OK 90 90 100 100 6.3-6.8 3.0/10769=98...(8) HG3 GLU 30 + HG13 ILE 32 OK 83 83 100 100 5.6-6.5 3.0/10769=98...(10) Violated in 0 structures by 0.00 A. Peak 10771 from aliabs.peaks (2.75, 0.77, 12.40 ppm; 4.92 A): 1 out of 6 assignments used, quality = 0.52: HB3 ASP 35 + QD1 ILE 32 OK 52 73 100 71 3.0-4.7 3.0/10807=24, 9413=20...(8) HB2 TYR 76 - QD1 ILE 37 far 10 69 15 - 4.6-6.1 HB3 ASP 35 - QD1 ILE 37 far 0 49 0 - 6.3-7.0 HB2 CYS 73 - QD1 ILE 37 far 0 67 0 - 7.0-7.9 HB3 ASP 78 - QD1 ILE 37 far 0 41 0 - 7.2-9.4 HB3 ASP 78 - QD1 ILE 32 far 0 63 0 - 8.1-12.3 Violated in 0 structures by 0.00 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 0 57 0 - 6.1-15.2 HD2 ARG 23 - QD1 ILE 37 far 0 37 0 - 7.4-20.6 HD3 ARG 90 - QD1 ILE 37 far 0 39 0 - 8.7-12.1 HD2 ARG 90 - QD1 ILE 37 far 0 45 0 - 8.9-11.2 Violated in 20 structures by 3.40 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: HE2 LYS 86 - QD1 ILE 37 far 0 61 0 - 9.3-11.3 Violated in 20 structures by 5.94 A. Peak 10774 from aliabs.peaks (1.81, 4.39, 58.04 ppm; 3.85 A): 1 out of 10 assignments used, quality = 0.95: HB2 LYS 36 + HA SER 33 OK 95 99 100 96 2.2-3.9 1.8/10778=64...(9) HB ILE 32 - HA SER 33 far 5 100 5 - 4.4-5.0 HB3 LYS 19 - HA SER 9 far 0 66 0 - 5.9-33.8 HB3 LEU 103 - HA SER 107 far 0 47 0 - 5.9-7.0 HB3 LYS 31 - HA SER 9 far 0 67 0 - 6.5-42.1 HB3 LYS 26 - HA SER 33 far 0 100 0 - 7.7-10.6 HB3 LYS 31 - HA SER 33 far 0 100 0 - 8.1-8.8 HB3 ARG 23 - HA SER 33 far 0 99 0 - 8.5-18.8 HB3 LEU 98 - HA SER 9 far 0 35 0 - 8.8-39.6 HB2 CYS 79 - HA SER 33 far 0 85 0 - 9.8-11.8 Violated in 1 structures by 0.00 A. Peak 10775 from aliabs.peaks (1.66, 4.39, 58.04 ppm; 4.09 A): 2 out of 16 assignments used, quality = 1.00: HD2 LYS 36 + HA SER 33 OK 98 100 100 98 1.9-2.2 3.5/10774=57...(16) HD3 LYS 36 + HA SER 33 OK 97 100 100 98 3.4-3.8 3.5/10774=57...(17) HD3 LYS 31 - HA SER 9 far 0 64 0 - 4.9-42.3 QB ALA 88 - HA SER 9 far 0 67 0 - 5.6-43.7 HD2 LYS 26 - HA SER 33 far 0 99 0 - 6.1-8.5 HD2 LYS 31 - HA SER 9 far 0 62 0 - 6.2-41.9 HD3 LYS 31 - HA SER 33 far 0 99 0 - 6.3-10.1 HD2 LYS 31 - HA SER 33 far 0 97 0 - 6.4-9.8 HD3 LYS 95 - HA SER 9 far 0 65 0 - 6.7-44.4 HD2 LYS 95 - HA SER 9 far 0 61 0 - 6.9-44.9 HD3 LYS 26 - HA SER 33 far 0 100 0 - 6.9-10.2 HD3 LYS 19 - HA SER 9 far 0 53 0 - 7.1-31.2 HG LEU 62 - HA SER 107 far 0 44 0 - 7.9-10.2 HB2 LEU 98 - HA SER 9 far 0 50 0 - 8.4-39.9 HD2 LYS 19 - HA SER 9 far 0 56 0 - 8.4-31.0 HD3 LYS 24 - HA SER 9 far 0 60 0 - 9.6-38.7 Violated in 0 structures by 0.00 A. Peak 10776 from aliabs.peaks (1.39, 4.39, 58.04 ppm; 3.98 A): 3 out of 17 assignments used, quality = 0.98: HG2 LYS 36 + HA SER 33 OK 93 95 100 98 4.3-4.5 3.0/10774=62...(17) QB ALA 109 + HA SER 107 OK 50 60 100 82 3.4-3.8 10094/3.0=54...(10) QB ALA 108 + HA SER 107 OK 41 53 80 98 4.3-4.8 7559/3.6=64...(15) QB ALA 34 - HA SER 33 far 0 81 0 - 4.9-5.0 QB ALA 29 - HA SER 33 far 0 92 0 - 5.6-7.6 HG3 LYS 31 - HA SER 33 far 0 99 0 - 5.8-9.2 HG3 LYS 95 - HA SER 9 far 0 64 0 - 6.3-43.2 QB ALA 110 - HA SER 107 far 0 56 0 - 6.5-8.6 HG2 LYS 95 - HA SER 9 far 0 66 0 - 7.1-44.4 HG3 LYS 31 - HA SER 9 far 0 64 0 - 7.4-42.6 HG3 LYS 26 - HA SER 33 far 0 96 0 - 7.5-10.9 HG2 LYS 24 - HA SER 9 far 0 53 0 - 8.1-37.8 HG2 LYS 19 - HA SER 9 far 0 43 0 - 8.2-32.2 QB ALA 15 - HA SER 9 far 0 60 0 - 8.3-18.1 QB ALA 28 - HA SER 33 far 0 98 0 - 9.6-10.5 QB ALA 108 - HA SER 9 far 0 57 0 - 9.7-43.8 HB3 LEU 100 - HA SER 107 far 0 44 0 - 9.9-11.2 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 5 assignments used, quality = 1.00: QG2 ILE 32 + HA SER 33 OK 100 100 100 100 3.0-3.5 6362/3.0=73, 10760=70...(27) QD1 LEU 98 - HA SER 9 far 0 47 0 - 6.3-34.5 QD2 LEU 22 - HA SER 9 far 0 66 0 - 6.9-30.2 QG2 VAL 57 - HA SER 107 far 0 46 0 - 8.6-10.4 QG2 ILE 129 - HA SER 9 far 0 57 0 - 9.4-38.2 Violated in 0 structures by 0.00 A. Peak 10778 from aliabs.peaks (1.89, 4.39, 58.04 ppm; 4.23 A): 1 out of 5 assignments used, quality = 0.96: HB3 LYS 36 + HA SER 33 OK 96 97 100 99 2.3-4.1 1.8/10774=86...(10) HB2 MET 11 - HA SER 9 far 0 43 0 - 5.3-8.7 HB3 LEU 119 - HA SER 107 far 0 41 0 - 7.8-8.8 HB2 ARG 90 - HA SER 9 far 0 52 0 - 9.2-47.1 HB2 ARG 135 - HA SER 9 far 0 65 0 - 10.0-57.4 Violated in 0 structures by 0.00 A. Peak 10779 from aliabs.peaks (1.81, 3.84, 63.38 ppm; 4.92 A increased from 4.38 A): 1 out of 6 assignments used, quality = 0.99: HB2 LYS 36 + HB3 SER 33 OK 99 99 100 100 4.6-5.5 10774/946=85, ~10778=55...(11) HB ILE 32 - HB3 SER 33 far 0 100 0 - 6.4-6.9 HB3 ARG 23 - HB3 SER 33 far 0 99 0 - 6.9-20.1 HB3 LYS 26 - HB3 SER 33 far 0 100 0 - 8.2-11.4 HB3 LYS 31 - HB3 SER 33 far 0 100 0 - 8.9-9.9 HB2 CYS 79 - HB3 SER 33 far 0 85 0 - 9.7-11.0 Violated in 2 structures by 0.05 A. Peak 10780 from aliabs.peaks (1.81, 3.91, 63.38 ppm; 5.92 A): 4 out of 11 assignments used, quality = 1.00: HB ILE 32 + HB2 SER 33 OK 100 100 100 100 5.6-6.0 6361/6367=100, ~10862=77...(17) HB2 LYS 36 + HB2 SER 33 OK 99 99 100 100 4.8-6.4 10779/1.8=98...(12) HB VAL 93 + HB2 SER 94 OK 59 59 100 100 4.3-4.8 2.1/11420=99...(12) HB3 LEU 103 + HB2 SER 107 OK 52 56 95 99 4.3-6.7 ~10106=59, ~10106=46...(17) HB3 ARG 23 - HB2 SER 33 far 5 99 5 - 5.9-18.8 HB3 LYS 26 - HB2 SER 33 far 0 100 0 - 6.9-10.6 HB3 LYS 31 - HB2 SER 33 far 0 100 0 - 7.2-8.3 HB3 LEU 98 - HB2 SER 94 far 0 39 0 - 7.4-9.2 HB3 LEU 122 - HB2 SER 107 far 0 51 0 - 9.1-11.4 HB2 LEU 100 - HB2 SER 107 far 0 66 0 - 9.3-11.8 HB2 LYS 86 - HB2 SER 94 far 0 59 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 10781 from aliabs.peaks (1.66, 3.91, 63.38 ppm; 4.71 A): 2 out of 15 assignments used, quality = 1.00: HD2 LYS 36 + HB2 SER 33 OK 96 100 100 96 2.9-4.2 10783/1.8=38...(13) HD3 LYS 36 + HB2 SER 33 OK 95 100 100 95 3.9-5.1 10783/1.8=38...(12) HD3 LYS 95 - HB2 SER 94 poor 20 72 60 46 4.0-7.9 9225/3.6=26, 7304/4.4=26 HD3 LYS 31 - HB2 SER 33 far 15 99 15 - 4.9-8.1 HD2 LYS 95 - HB2 SER 94 poor 8 68 30 38 4.2-7.1 7304/4.4=26, 9225/3.6=16 HD2 LYS 26 - HB2 SER 33 far 5 100 5 - 4.8-10.0 HD2 LYS 31 - HB2 SER 33 far 5 98 5 - 5.0-8.6 HD3 LYS 26 - HB2 SER 33 far 0 100 0 - 6.0-10.3 HB2 LEU 98 - HB2 SER 94 far 0 57 0 - 6.0-7.9 HG LEU 62 - HB2 SER 107 far 0 54 0 - 6.9-9.2 HD2 LYS 19 - HB2 SER 94 far 0 64 0 - 8.0-41.0 HD3 LYS 19 - HB2 SER 94 far 0 61 0 - 8.0-40.7 QB ALA 88 - HB2 SER 94 far 0 74 0 - 8.6-9.6 HD2 LYS 24 - HB2 SER 94 far 0 73 0 - 9.2-30.0 HD3 LYS 24 - HB2 SER 94 far 0 67 0 - 9.9-29.1 Violated in 0 structures by 0.00 A. Peak 10782 from aliabs.peaks (1.41, 3.91, 63.38 ppm; 5.04 A): 3 out of 20 assignments used, quality = 1.00: QB ALA 34 + HB2 SER 33 OK 99 99 100 100 4.8-5.6 6376/6373=93...(7) QB ALA 109 + HB2 SER 107 OK 52 53 100 99 3.1-5.0 10852/3.0=87...(11) QB ALA 108 + HB2 SER 107 OK 38 38 100 99 4.2-5.6 2.9/7556=77, ~7557=63...(9) HG2 LYS 95 - HB2 SER 94 poor 11 56 20 - 3.9-7.8 HG3 LYS 95 - HB2 SER 94 far 5 50 10 - 4.6-6.7 HG3 LYS 26 - HB2 SER 33 far 3 68 5 - 5.3-11.7 HG2 LYS 36 - HB2 SER 33 far 3 65 5 - 5.5-6.7 QB ALA 15 - HB2 SER 94 far 2 43 5 - 4.1-33.7 HG3 LYS 31 - HB2 SER 33 lone 1 78 55 2 4.8-8.1 HG2 LYS 26 - HB2 SER 33 far 0 76 0 - 5.7-11.3 QB ALA 92 - HB2 SER 94 far 0 50 0 - 5.9-6.8 QB ALA 110 - HB2 SER 107 far 0 44 0 - 6.0-8.8 HG13 ILE 32 - HB2 SER 33 far 0 81 0 - 6.8-7.4 QB ALA 16 - HB2 SER 94 far 0 61 0 - 7.1-36.5 QB ALA 29 - HB2 SER 33 far 0 60 0 - 7.1-8.5 HG LEU 96 - HB2 SER 94 far 0 68 0 - 7.4-8.2 HB2 LEU 96 - HB2 SER 94 far 0 41 0 - 8.3-9.0 QB ALA 15 - HB2 SER 33 far 0 68 0 - 8.8-24.1 QB ALA 28 - HB2 SER 33 far 0 76 0 - 9.2-11.0 HG2 LYS 86 - HB2 SER 94 far 0 72 0 - 9.7-11.5 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 6 assignments used, quality = 1.00: HD2 LYS 36 + HB3 SER 33 OK 98 100 100 99 2.2-4.0 3.5/10856=59...(14) HD3 LYS 36 + HB3 SER 33 OK 97 99 100 98 2.7-4.5 3.5/10856=59...(12) HD2 LYS 26 - HB3 SER 33 far 0 99 0 - 6.1-10.4 HD3 LYS 31 - HB3 SER 33 far 0 98 0 - 6.7-9.8 HD2 LYS 31 - HB3 SER 33 far 0 96 0 - 6.7-10.3 HD3 LYS 26 - HB3 SER 33 far 0 100 0 - 7.1-10.9 Violated in 0 structures by 0.00 A. Peak 10784 from aliabs.peaks (1.39, 3.84, 63.38 ppm; 4.25 A): 1 out of 6 assignments used, quality = 0.76: QB ALA 34 + HB3 SER 33 OK 76 81 95 100 4.0-5.0 2.1/10864=79, 2.9/949=76...(8) HG2 LYS 36 - HB3 SER 33 far 9 95 10 - 4.2-6.0 HG3 LYS 26 - HB3 SER 33 far 0 96 0 - 6.4-12.1 HG3 LYS 31 - HB3 SER 33 far 0 99 0 - 6.5-9.7 QB ALA 29 - HB3 SER 33 far 0 92 0 - 7.8-9.3 QB ALA 15 - HB3 SER 33 far 0 96 0 - 7.9-25.3 Violated in 4 structures by 0.08 A. Peak 10785 from aliabs.peaks (0.84, 3.84, 63.38 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 32 + HB3 SER 33 OK 100 100 100 100 4.4-4.9 6362/6368=91...(20) Violated in 0 structures by 0.00 A. Peak 10786 from aliabs.peaks (0.76, 3.84, 63.38 ppm; 4.92 A): 1 out of 2 assignments used, quality = 0.89: QD1 ILE 37 + HB3 SER 33 OK 89 95 100 95 2.6-3.0 10873/10864=70...(8) QD1 ILE 32 - HB3 SER 33 far 0 95 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 10787 from aliabs.peaks (0.90, 3.84, 63.38 ppm; 6.80 A): 0 out of 3 assignments used, quality = 0.00: QG2 VAL 20 - HB3 SER 33 far 5 97 5 - 5.9-19.3 QG1 VAL 20 - HB3 SER 33 far 0 100 0 - 8.0-20.8 QD1 LEU 22 - HB3 SER 33 far 0 90 0 - 9.1-18.5 Violated in 19 structures by 4.31 A. Peak 10788 from aliabs.peaks (0.75, 4.39, 58.04 ppm; 4.69 A): 2 out of 6 assignments used, quality = 0.84: QD1 ILE 37 + HA SER 33 OK 77 90 100 86 3.4-4.4 10786/946=61...(8) QD1 LEU 103 + HA SER 107 OK 28 30 100 92 2.5-3.7 10106/3.0=30...(22) QD2 LEU 103 - HA SER 107 poor 18 46 40 - 5.0-6.3 QD1 ILE 32 - HA SER 33 far 0 90 0 - 5.7-6.1 QG1 VAL 93 - HA SER 9 far 0 67 0 - 9.1-34.3 HG12 ILE 129 - HA SER 9 far 0 65 0 - 9.8-48.0 Violated in 0 structures by 0.00 A. Peak 10789 from aliabs.peaks (1.97, 4.21, 53.17 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: HB ILE 37 + HA ALA 34 OK 100 100 100 100 3.2-3.7 9003=83, 3.2/10873=55...(9) Violated in 1 structures by 0.00 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 2.3-4.3 9006=92, 2.1/10873=89...(12) HB3 LEU 42 - HA ALA 34 far 0 98 0 - 7.6-8.6 HG2 ARG 23 - HA ALA 34 far 0 97 0 - 8.1-20.5 Violated in 0 structures by 0.00 A. Peak 10791 from aliabs.peaks (0.93, 4.21, 53.17 ppm; 4.48 A increased from 4.22 A): 1 out of 2 assignments used, quality = 0.99: QG2 ILE 37 + HA ALA 34 OK 99 99 100 100 4.3-4.5 2.1/10789=89...(12) QG1 VAL 20 - HA ALA 34 far 0 85 0 - 10.0-21.7 Violated in 0 structures by 0.00 A. Peak 10792 from aliabs.peaks (0.77, 4.21, 53.17 ppm; 3.62 A): 1 out of 3 assignments used, quality = 0.99: QD1 ILE 37 + HA ALA 34 OK 99 100 100 100 1.8-3.7 10830=62, 3.2/10789=50...(14) QD1 ILE 32 - HA ALA 34 far 0 100 0 - 6.1-7.1 QG1 VAL 93 - HA ALA 34 far 0 76 0 - 9.8-11.3 Violated in 1 structures by 0.00 A. Peak 10793 from aliabs.peaks (1.99, 1.41, 18.59 ppm; 4.91 A increased from 4.14 A): 1 out of 6 assignments used, quality = 0.87: HB ILE 37 + QB ALA 34 OK 87 87 100 100 4.4-4.8 10789/2.1=82...(21) HB2 GLN 27 - QB ALA 34 far 0 78 0 - 7.2-11.0 HB VAL 20 - QB ALA 34 far 0 93 0 - 7.5-19.1 HB3 MET 11 - QB ALA 34 far 0 68 0 - 9.3-31.0 HB3 GLU 30 - QB ALA 34 far 0 73 0 - 9.9-10.9 HG2 PRO 81 - QB ALA 34 far 0 83 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 10794 from aliabs.peaks (4.20, 4.51, 54.59 ppm; 3.80 A): 0 out of 4 assignments used, quality = 0.00: HA ALA 34 - HA ASP 35 far 0 95 0 - 4.7-4.8 HB THR 25 - HA ASP 35 far 0 96 0 - 5.8-14.8 HB3 SER 38 - HA ASP 35 far 0 93 0 - 6.4-9.4 HA ALA 29 - HA ASP 35 far 0 68 0 - 6.9-8.6 Violated in 20 structures by 0.87 A. Peak 10795 from aliabs.peaks (4.00, 4.51, 54.59 ppm; 4.08 A): 0 out of 2 assignments used, quality = 0.00: HA ILE 37 - HA ASP 35 far 0 90 0 - 6.5-7.0 HB2 SER 38 - HA ASP 35 far 0 100 0 - 7.6-9.2 Violated in 20 structures by 2.51 A. Peak 10796 from aliabs.peaks (4.11, 4.51, 54.59 ppm; 4.87 A): 0 out of 3 assignments used, quality = 0.00: HA CYS 79 - HA ASP 35 far 0 100 0 - 5.5-9.0 HA ILE 32 - HA ASP 35 far 0 100 0 - 7.4-8.4 HA ILE 80 - HA ASP 35 far 0 90 0 - 9.0-11.6 Violated in 20 structures by 1.33 A. Peak 10797 from aliabs.peaks (4.11, 2.65, 40.26 ppm; 4.94 A): 0 out of 2 assignments used, quality = 0.00: HA ILE 32 - HB2 ASP 35 far 0 100 0 - 5.9-7.3 HA CYS 79 - HB2 ASP 35 far 0 100 0 - 8.2-11.8 Violated in 20 structures by 1.60 A. Peak 10798 from aliabs.peaks (4.10, 2.73, 40.26 ppm; 5.92 A increased from 4.99 A): 2 out of 4 assignments used, quality = 0.89: HA ILE 32 + HB3 ASP 35 OK 78 97 95 85 5.2-6.6 893/10846=75...(5) HA CYS 79 + HB3 ASP 78 OK 50 53 100 94 5.8-5.8 ~7061=76, 9687/7056=75 HA CYS 79 - HB3 ASP 35 far 0 98 0 - 7.5-11.0 HA ILE 80 - HB3 ASP 78 far 0 29 0 - 8.5-8.6 Violated in 0 structures by 0.00 A. Peak 10799 from aliabs.peaks (1.81, 4.51, 54.59 ppm; 5.71 A increased from 5.38 A): 1 out of 7 assignments used, quality = 0.99: HB2 LYS 36 + HA ASP 35 OK 99 99 100 100 5.4-6.2 6392/6388=97...(7) HB ILE 32 - HA ASP 35 far 5 100 5 - 6.2-7.5 HB2 CYS 79 - HA ASP 35 lone 1 85 85 2 4.8-7.6 HB3 LYS 24 - HA ASP 35 far 0 100 0 - 6.3-19.1 HB3 LYS 26 - HA ASP 35 far 0 100 0 - 6.9-12.3 HB3 ARG 23 - HA ASP 35 far 0 99 0 - 8.6-19.5 HB3 LYS 19 - HA ASP 35 far 0 100 0 - 9.4-27.4 Violated in 2 structures by 0.05 A. Peak 10800 from aliabs.peaks (1.66, 4.51, 54.59 ppm; 5.35 A): 0 out of 6 assignments used, quality = 0.00: HD2 LYS 26 - HA ASP 35 far 15 100 15 - 4.2-10.1 HD3 LYS 26 - HA ASP 35 poor 9 100 25 36 5.5-10.5 ~11209=9, ~10888=6...(11) HD2 LYS 36 - HA ASP 35 far 0 100 0 - 6.9-7.2 HD3 LYS 36 - HA ASP 35 far 0 100 0 - 7.5-7.9 HD2 LYS 24 - HA ASP 35 far 0 100 0 - 8.1-21.8 HD3 LYS 24 - HA ASP 35 far 0 100 0 - 8.8-20.8 Violated in 14 structures by 0.60 A. Peak 10801 from aliabs.peaks (1.41, 4.51, 54.59 ppm; 3.93 A): 1 out of 8 assignments used, quality = 0.91: QB ALA 34 + HA ASP 35 OK 91 98 100 93 3.7-3.8 6381/3.0=77...(7) HG2 LYS 26 - HA ASP 35 far 0 71 0 - 5.2-12.6 QB ALA 29 - HA ASP 35 far 0 65 0 - 5.6-8.0 HG3 LYS 26 - HA ASP 35 far 0 73 0 - 6.2-12.2 HG2 LYS 36 - HA ASP 35 far 0 71 0 - 6.5-6.7 HG13 ILE 32 - HA ASP 35 far 0 76 0 - 8.0-8.9 HG2 LYS 24 - HA ASP 35 far 0 60 0 - 9.0-19.5 QB ALA 28 - HA ASP 35 far 0 81 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 10802 from aliabs.peaks (1.41, 2.65, 40.26 ppm; 5.80 A): 2 out of 7 assignments used, quality = 1.00: QB ALA 34 + HB2 ASP 35 OK 99 99 100 100 3.9-5.0 6381/6383=99...(4) HG13 ILE 32 + HB2 ASP 35 OK 24 83 30 98 5.6-7.0 ~10846=81, ~10771=75...(6) HG2 LYS 26 - HB2 ASP 35 poor 20 78 25 - 4.1-11.3 HG3 LYS 26 - HB2 ASP 35 far 10 65 15 - 4.6-11.1 HG2 LYS 36 - HB2 ASP 35 far 0 63 0 - 6.6-7.8 QB ALA 28 - HB2 ASP 35 far 0 73 0 - 7.8-9.8 HG3 LYS 31 - HB2 ASP 35 far 0 76 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 10803 from aliabs.peaks (1.40, 2.73, 40.26 ppm; 5.36 A): 3 out of 15 assignments used, quality = 0.97: QB ALA 34 + HB3 ASP 35 OK 92 92 100 100 3.7-4.4 10801/961=90...(4) QB ALA 29 + HB3 ASP 35 OK 43 81 95 56 3.6-6.0 10730/10846=54, 10831/10883=3 HG13 ILE 32 + HB3 ASP 35 OK 28 60 50 94 5.3-6.4 2.1/10846=87...(5) HG3 LYS 26 - HB3 ASP 35 poor 13 87 25 58 4.6-9.9 ~10800=42...(4) HG2 LYS 86 - HB3 ASP 78 poor 10 48 20 - 5.6-6.5 QB ALA 15 - HB3 ASP 78 far 2 43 5 - 5.9-27.6 QB ALA 34 - HB3 ASP 78 lone 1 47 90 2 4.4-6.8 HG2 LYS 19 - HB3 ASP 78 far 0 27 0 - 6.0-29.4 HG2 LYS 36 - HB3 ASP 35 far 0 85 0 - 6.7-7.6 QB ALA 28 - HB3 ASP 35 far 0 92 0 - 7.5-9.2 HG3 LYS 26 - HB3 ASP 78 far 0 43 0 - 7.6-15.0 QB ALA 16 - HB3 ASP 78 far 0 54 0 - 8.9-29.6 HG2 LYS 24 - HB3 ASP 35 far 0 76 0 - 9.0-17.2 HG3 LYS 31 - HB3 ASP 35 far 0 93 0 - 9.7-12.4 HG2 LYS 24 - HB3 ASP 78 far 0 36 0 - 9.9-19.9 Violated in 0 structures by 0.00 A. Peak 10804 from aliabs.peaks (1.89, 4.51, 54.59 ppm; 6.17 A increased from 5.49 A): 1 out of 1 assignment used, quality = 0.97: HB3 LYS 36 + HA ASP 35 OK 97 97 100 100 5.4-6.1 3.9/6388=96...(5) Violated in 0 structures by 0.00 A. Peak 10806 from aliabs.peaks (1.16, 4.51, 54.59 ppm; 6.01 A): 0 out of 4 assignments used, quality = 0.00: QG2 THR 25 - HA ASP 35 far 0 81 0 - 6.8-13.3 HG12 ILE 32 - HA ASP 35 far 0 100 0 - 7.5-8.9 QB ALA 41 - HA ASP 35 far 0 83 0 - 7.7-8.5 QG2 THR 18 - HA ASP 35 far 0 98 0 - 9.4-24.3 Violated in 20 structures by 1.13 A. Peak 10807 from aliabs.peaks (0.77, 4.51, 54.59 ppm; 6.06 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 32 + HA ASP 35 OK 99 100 100 99 5.3-6.4 10846/3.0=93, ~11784=53...(11) QD1 ILE 37 + HA ASP 35 OK 98 100 100 98 5.5-6.4 6417/9012=82...(7) Violated in 0 structures by 0.00 A. Peak 10810 from aliabs.peaks (0.84, 1.88, 32.86 ppm; 5.02 A increased from 4.46 A): 1 out of 1 assignment used, quality = 0.96: QG2 ILE 32 + HB3 LYS 36 OK 96 100 100 96 4.6-5.1 10892/995=64...(5) Violated in 1 structures by 0.00 A. Peak 10812 from aliabs.peaks (0.85, 1.66, 28.74 ppm; 4.03 A increased from 3.79 A): 4 out of 28 assignments used, quality = 0.97: QG2 ILE 32 + HD2 LYS 26 OK 86 86 100 100 2.1-4.3 10766/3.0=45, 10837=34...(75) QG2 ILE 32 + HD3 LYS 26 OK 57 87 65 100 2.4-5.2 10766/3.0=45...(82) QD2 LEU 22 + HD2 LYS 24 OK 30 96 45 69 2.5-9.7 ~10703=18, ~10714=17...(13) QD2 LEU 22 + HD3 LYS 24 OK 21 88 35 69 3.8-9.1 ~10703=18, ~10714=17...(13) QG2 ILE 32 - HD2 LYS 36 far 5 95 5 - 4.5-5.2 QD1 LEU 98 - HD2 LYS 95 far 0 78 0 - 5.3-8.6 QG2 ILE 32 - HD3 LYS 36 far 0 94 0 - 5.8-6.5 QG2 ILE 32 - HD2 LYS 31 far 0 81 0 - 5.9-8.5 QD2 LEU 22 - HD3 LYS 26 far 0 90 0 - 6.0-14.9 QG2 ILE 32 - HD3 LYS 31 far 0 85 0 - 6.0-8.7 QD1 LEU 98 - HD3 LYS 95 far 0 85 0 - 6.2-8.4 QD2 LEU 22 - HD2 LYS 19 far 0 79 0 - 6.4-10.6 QD2 LEU 70 - HD3 LYS 95 far 0 86 0 - 7.3-9.5 QD2 LEU 22 - HD3 LYS 31 far 0 88 0 - 7.3-20.6 QD2 LEU 22 - HD2 LYS 26 far 0 89 0 - 7.3-14.9 QD2 LEU 22 - HD2 LYS 31 far 0 84 0 - 7.4-21.1 QG2 ILE 129 - HD2 LYS 95 far 0 44 0 - 7.5-10.0 QD2 LEU 22 - HD3 LYS 19 far 0 72 0 - 7.5-11.0 QD2 LEU 70 - HD2 LYS 95 far 0 79 0 - 7.7-9.6 QG2 ILE 129 - HD3 LYS 95 far 0 49 0 - 7.9-9.8 QD2 LEU 70 - HD2 LYS 24 far 0 100 0 - 8.8-25.3 QD2 LEU 70 - HD3 LYS 19 far 0 77 0 - 9.1-33.6 QD2 LEU 70 - HD3 LYS 24 far 0 93 0 - 9.2-24.2 QG2 ILE 32 - HD3 LYS 24 far 0 85 0 - 9.2-13.7 QG2 ILE 32 - HD2 LYS 24 far 0 94 0 - 9.3-14.8 QD2 LEU 69 - HD3 LYS 36 far 0 93 0 - 9.4-11.0 QD1 LEU 98 - HD2 LYS 24 far 0 99 0 - 9.6-30.7 QD2 LEU 70 - HD2 LYS 19 far 0 84 0 - 10.0-34.1 Violated in 0 structures by 0.00 A. Peak 10813 from aliabs.peaks (0.78, 2.96, 41.80 ppm; 4.01 A): 4 out of 21 assignments used, quality = 1.00: QD1 ILE 32 + HE3 LYS 26 OK 92 97 95 100 3.0-5.3 9008=38, 9008/1.8=33...(86) QD1 ILE 32 + HE2 LYS 26 OK 92 97 95 99 1.9-4.6 930/10766=50, 9008=40...(55) QD1 ILE 37 + HE2 LYS 36 OK 79 97 90 91 3.9-5.6 10918/3.0=32...(12) QD1 ILE 37 + HE3 LYS 36 OK 70 97 80 90 4.0-6.3 10918/3.0=32...(12) QD1 ILE 37 - HE2 LYS 26 far 0 97 0 - 6.1-10.3 QG1 VAL 93 - HE2 LYS 19 far 0 61 0 - 6.3-33.9 QG1 VAL 93 - HE3 LYS 19 far 0 61 0 - 6.3-34.3 QD1 ILE 32 - HE3 LYS 31 far 0 93 0 - 6.8-10.2 QD1 ILE 37 - HE3 LYS 26 far 0 97 0 - 6.9-11.2 QD1 ILE 32 - HE2 LYS 31 far 0 97 0 - 7.1-10.3 QD1 ILE 37 - HE3 LYS 31 far 0 93 0 - 7.5-12.1 QD1 ILE 37 - HE2 LYS 31 far 0 97 0 - 7.6-11.8 QG1 VAL 93 - HE3 LYS 86 far 0 37 0 - 8.1-10.4 QD1 ILE 32 - HE3 LYS 36 far 0 97 0 - 8.2-9.8 QD1 ILE 32 - HE2 LYS 19 far 0 96 0 - 8.5-21.8 QD1 ILE 32 - HE2 LYS 36 far 0 97 0 - 8.5-10.0 QD2 LEU 96 - HE2 LYS 19 far 0 58 0 - 9.6-36.1 QD2 LEU 96 - HE3 LYS 19 far 0 58 0 - 9.7-36.6 QG1 VAL 93 - HE3 LYS 24 far 0 46 0 - 9.7-23.7 QD1 ILE 32 - HE3 LYS 19 far 0 96 0 - 9.7-22.8 QG1 VAL 93 - HE2 LYS 24 far 0 58 0 - 9.9-25.0 Violated in 0 structures by 0.00 A. Peak 10815 from aliabs.peaks (1.17, 4.02, 61.09 ppm; 4.67 A): 1 out of 3 assignments used, quality = 0.99: QB ALA 41 + HA ILE 37 OK 99 99 100 100 2.8-3.0 10819/1089=87...(11) HB3 LEU 62 - HA SER 60 far 6 43 15 - 5.1-6.9 HG3 LYS 39 - HA ILE 37 far 0 99 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 10816 from aliabs.peaks (1.41, 1.97, 37.79 ppm; 4.97 A increased from 4.42 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 34 + HB ILE 37 OK 100 100 100 100 4.4-4.8 10877=98, 2.1/10789=96...(21) QB ALA 15 - HB ILE 37 far 0 60 0 - 9.1-29.7 Violated in 0 structures by 0.00 A. Peak 10817 from aliabs.peaks (1.39, 4.02, 61.09 ppm; 5.08 A): 1 out of 8 assignments used, quality = 0.99: HG2 LYS 36 + HA ILE 37 OK 99 99 100 100 2.8-2.9 6406/2.9=84, ~6407=56...(24) HB2 LEU 42 - HA ILE 37 far 0 95 0 - 6.0-7.0 QB ALA 109 - HA SER 60 far 0 71 0 - 6.0-7.7 QB ALA 110 - HA SER 60 far 0 70 0 - 6.3-8.5 QB ALA 34 - HA ILE 37 far 0 63 0 - 6.3-6.5 QB ALA 108 - HA SER 60 far 0 69 0 - 7.1-8.5 HB3 LEU 100 - HA SER 60 far 0 63 0 - 8.4-9.3 QB ALA 29 - HA ILE 37 far 0 99 0 - 9.0-12.0 Violated in 0 structures by 0.00 A. Peak 10818 from aliabs.peaks (1.66, 0.93, 17.29 ppm; 4.73 A increased from 3.99 A): 1 out of 7 assignments used, quality = 0.97: HD3 LYS 36 + QG2 ILE 37 OK 97 100 100 98 4.4-4.6 10918/1094=45...(15) HD2 LYS 36 - QG2 ILE 37 far 0 100 0 - 5.5-5.8 HG LEU 43 - QG2 ILE 37 far 0 93 0 - 6.3-7.0 HD2 LYS 39 - QG2 ILE 37 far 0 78 0 - 7.5-9.2 HB2 LEU 69 - QG2 ILE 37 far 0 99 0 - 7.7-8.3 HD2 LYS 86 - QG2 ILE 37 far 0 100 0 - 9.6-10.7 HD2 LYS 26 - QG2 ILE 37 far 0 100 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 10819 from aliabs.peaks (1.18, 0.93, 17.29 ppm; 3.30 A): 1 out of 5 assignments used, quality = 1.00: QB ALA 41 + QG2 ILE 37 OK 100 100 100 100 2.0-3.2 9069=92, 9070/1094=43...(19) HG3 LYS 39 - QG2 ILE 37 far 0 93 0 - 6.6-7.4 QG2 VAL 77 - QG2 ILE 37 far 0 97 0 - 7.2-7.5 QG2 THR 25 - QG2 ILE 37 far 0 100 0 - 8.2-14.1 HG12 ILE 32 - QG2 ILE 37 far 0 81 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 10820 from aliabs.peaks (1.39, 0.93, 17.29 ppm; 4.09 A increased from 3.63 A): 2 out of 6 assignments used, quality = 0.99: HG2 LYS 36 + QG2 ILE 37 OK 91 98 95 98 4.1-4.7 3.0/10912=52...(16) HB2 LEU 42 + QG2 ILE 37 OK 86 90 100 95 3.4-4.0 3.2/10821=60...(6) QB ALA 34 - QG2 ILE 37 far 0 71 0 - 5.1-5.2 QB ALA 15 - QG2 ILE 37 far 0 99 0 - 7.5-25.6 QB ALA 29 - QG2 ILE 37 far 0 97 0 - 9.0-11.0 HG2 LYS 86 - QG2 ILE 37 far 0 73 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 10821 from aliabs.peaks (0.64, 0.93, 17.29 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + QG2 ILE 37 OK 100 100 100 100 2.6-3.1 1324/10826=42...(18) QD1 ILE 129 - QG2 ILE 37 far 0 93 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 10822 from aliabs.peaks (1.83, 0.93, 17.29 ppm; 4.20 A): 0 out of 4 assignments used, quality = 0.00: HB2 CYS 79 - QG2 ILE 37 far 0 100 0 - 5.3-5.9 HB2 LYS 36 - QG2 ILE 37 far 0 93 0 - 5.8-6.5 HB ILE 32 - QG2 ILE 37 far 0 83 0 - 9.4-10.0 HB VAL 93 - QG2 ILE 37 far 0 100 0 - 9.6-10.5 Violated in 20 structures by 0.90 A. Peak 10823 from aliabs.peaks (2.75, 0.93, 17.29 ppm; 4.26 A): 1 out of 4 assignments used, quality = 0.89: HB2 TYR 76 + QG2 ILE 37 OK 89 89 100 100 2.3-4.0 1.8/9011=80...(15) HB2 CYS 73 - QG2 ILE 37 far 0 99 0 - 6.3-7.3 HB3 ASP 35 - QG2 ILE 37 far 0 85 0 - 8.1-8.2 HB3 ASP 78 - QG2 ILE 37 far 0 76 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 10824 from aliabs.peaks (2.60, 0.93, 17.29 ppm; 5.56 A increased from 4.94 A): 2 out of 2 assignments used, quality = 0.77: HB3 CYS 79 + QG2 ILE 37 OK 67 100 100 67 4.9-5.4 11818/10833=46...(3) HB2 ASP 71 + QG2 ILE 37 OK 29 96 35 86 5.3-7.4 11925/9022=60...(3) Violated in 0 structures by 0.00 A. Peak 10825 from aliabs.peaks (3.36, 0.93, 17.29 ppm; 4.12 A): 1 out of 2 assignments used, quality = 0.90: HB3 TYR 72 + QG2 ILE 37 OK 90 90 100 100 2.2-3.4 1.8/9010=80, 2.7/9022=73...(31) HB3 PHE 89 - QG2 ILE 37 far 0 87 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 10826 from aliabs.peaks (3.47, 0.93, 17.29 ppm; 4.45 A): 1 out of 3 assignments used, quality = 0.99: HA LEU 42 + QG2 ILE 37 OK 99 100 100 100 3.7-4.0 1324/10821=59...(10) HA VAL 77 - QG2 ILE 37 far 0 89 0 - 6.8-7.1 HA ILE 129 - QG2 ILE 37 far 0 95 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 10827 from aliabs.peaks (1.15, 1.27, 27.60 ppm; 5.73 A increased from 4.59 A): 1 out of 3 assignments used, quality = 0.73: QB ALA 41 + HG12 ILE 37 OK 73 73 100 100 4.5-5.7 10910/1092=98...(9) QG2 THR 25 - HG12 ILE 37 far 0 71 0 - 8.1-14.5 HG12 ILE 32 - HG12 ILE 37 far 0 100 0 - 8.3-9.8 Violated in 0 structures by 0.00 A. Peak 10828 from aliabs.peaks (1.16, 1.55, 27.60 ppm; 4.51 A): 0 out of 5 assignments used, quality = 0.00: QB ALA 41 - HG13 ILE 37 far 5 92 5 - 3.7-6.1 QG2 THR 25 - HG13 ILE 37 far 0 90 0 - 7.7-15.8 QG2 VAL 77 - HG13 ILE 37 far 0 71 0 - 8.5-10.2 HG12 ILE 32 - HG13 ILE 37 far 0 99 0 - 9.1-11.3 HG2 LYS 39 - HG13 ILE 37 far 0 68 0 - 10.0-12.0 Violated in 19 structures by 0.93 A. Peak 10829 from aliabs.peaks (1.66, 0.77, 12.10 ppm; 4.13 A): 4 out of 18 assignments used, quality = 1.00: HD3 LYS 36 + QD1 ILE 37 OK 97 100 100 97 1.9-3.9 10912/1094=56...(18) HD2 LYS 36 + QD1 ILE 37 OK 97 100 100 97 2.6-4.4 ~10912=36, ~10818=35...(18) HD2 LYS 26 + QD1 ILE 32 OK 76 76 100 100 1.8-4.6 ~10767=41, 2.9/10704=33...(85) HD3 LYS 26 + QD1 ILE 32 OK 76 76 100 100 1.9-4.7 2.9/10704=33, ~10766=23...(91) HD2 LYS 31 - QD1 ILE 32 far 0 75 0 - 6.3-8.8 HD3 LYS 31 - QD1 ILE 32 far 0 76 0 - 6.5-9.3 HD2 LYS 36 - QD1 ILE 32 far 0 76 0 - 7.2-7.8 HD2 LYS 26 - QD1 ILE 37 far 0 100 0 - 7.6-10.5 HD3 LYS 31 - QD1 ILE 37 far 0 100 0 - 8.1-10.8 HD3 LYS 26 - QD1 ILE 37 far 0 100 0 - 8.4-11.3 HD3 LYS 36 - QD1 ILE 32 far 0 76 0 - 8.5-9.1 HB2 LEU 69 - QD1 ILE 37 far 0 97 0 - 8.5-9.3 HD2 LYS 31 - QD1 ILE 37 far 0 100 0 - 8.5-11.3 HD3 LYS 24 - QD1 ILE 32 far 0 74 0 - 8.5-12.7 HD2 LYS 24 - QD1 ILE 32 far 0 76 0 - 9.0-13.3 HG LEU 43 - QD1 ILE 37 far 0 89 0 - 9.1-9.8 HD2 LYS 86 - QD1 ILE 37 far 0 100 0 - 9.5-11.9 HD3 LYS 19 - QD1 ILE 32 far 0 69 0 - 9.7-21.6 Violated in 0 structures by 0.00 A. Peak 10830 from aliabs.peaks (4.21, 0.77, 12.10 ppm; 3.44 A): 2 out of 10 assignments used, quality = 1.00: HA ALA 34 + QD1 ILE 37 OK 99 100 100 100 1.8-3.7 10873=88, 10789/3.2=46...(14) HA ALA 29 + QD1 ILE 32 OK 59 60 100 99 1.9-2.2 2.1/10739=69, 10737=49...(16) HB THR 25 - QD1 ILE 32 far 3 56 5 - 3.9-8.5 HA GLU 30 - QD1 ILE 32 far 0 74 0 - 5.8-6.4 HA ALA 34 - QD1 ILE 32 far 0 75 0 - 6.1-7.1 HB3 SER 38 - QD1 ILE 37 far 0 99 0 - 6.2-7.1 HB THR 25 - QD1 ILE 37 far 0 83 0 - 7.7-15.4 HA ALA 29 - QD1 ILE 37 far 0 87 0 - 8.5-9.5 HB THR 18 - QD1 ILE 32 far 0 41 0 - 8.7-22.1 HA HIS 67 - QD1 ILE 37 far 0 100 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 10831 from aliabs.peaks (4.52, 0.77, 12.10 ppm; 4.59 A): 1 out of 4 assignments used, quality = 0.71: HA TYR 72 + QD1 ILE 37 OK 71 71 100 100 2.2-3.2 10832/2.1=73...(23) HA ASP 35 - QD1 ILE 32 far 0 70 0 - 5.3-6.4 HA ASP 35 - QD1 ILE 37 far 0 97 0 - 5.5-6.4 HA SER 38 - QD1 ILE 37 far 0 68 0 - 5.9-6.0 Violated in 0 structures by 0.00 A. Peak 10832 from aliabs.peaks (4.52, 1.55, 27.60 ppm; 4.66 A): 1 out of 3 assignments used, quality = 0.78: HA TYR 72 + HG13 ILE 37 OK 78 78 100 100 2.7-4.2 10831/2.1=76, ~10839=44...(25) HA ASP 35 - HG13 ILE 37 far 0 93 0 - 6.2-7.8 HA SER 38 - HG13 ILE 37 far 0 76 0 - 6.5-6.6 Violated in 0 structures by 0.00 A. Peak 10833 from aliabs.peaks (4.31, 0.93, 17.29 ppm; 3.80 A increased from 3.57 A): 1 out of 5 assignments used, quality = 0.99: HA TYR 76 + QG2 ILE 37 OK 99 99 100 100 3.1-3.7 11155=58, 3.0/10667=54...(21) HA2 GLY 75 - QG2 ILE 37 far 0 96 0 - 5.4-6.0 HA LYS 36 - QG2 ILE 37 far 0 60 0 - 6.0-6.1 HA SER 74 - QG2 ILE 37 far 0 71 0 - 7.1-7.9 HA PRO 81 - QG2 ILE 37 far 0 93 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 10834 from aliabs.peaks (4.29, 1.97, 37.79 ppm; 5.36 A): 2 out of 3 assignments used, quality = 0.97: HA TYR 76 + HB ILE 37 OK 92 92 100 100 2.9-3.8 11155/2.1=80, ~10667=63...(17) HA LYS 36 + HB ILE 37 OK 64 99 65 100 5.8-6.1 3.6/6413=95...(15) HA SER 74 - HB ILE 37 far 0 100 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 10835 from aliabs.peaks (4.28, 4.02, 61.09 ppm; 4.88 A increased from 4.59 A): 2 out of 5 assignments used, quality = 1.00: HA LYS 36 + HA ILE 37 OK 99 99 100 99 4.7-4.9 983/2.9=56, 4.1/10817=52...(12) HA GLN 61 + HA SER 60 OK 71 71 100 100 4.8-4.9 4.9=97, 6819/6818=45...(9) HA ALA 110 - HA SER 60 far 3 69 5 - 5.4-7.8 HA ALA 108 - HA SER 60 far 0 71 0 - 6.1-8.3 HA ALA 109 - HA SER 60 far 0 71 0 - 8.3-10.3 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 1 assignment used, quality = 1.00: QD TYR 72 + HG12 ILE 37 OK 100 100 100 100 3.6-4.7 10839/2.1=94...(37) Violated in 0 structures by 0.00 A. Peak 10837 from aliabs.peaks (6.80, 1.27, 27.60 ppm; 6.01 A increased from 5.66 A): 1 out of 1 assignment used, quality = 1.00: QE TYR 72 + HG12 ILE 37 OK 100 100 100 100 4.1-5.7 9025/2.1=96...(18) Violated in 0 structures by 0.00 A. Peak 10838 from aliabs.peaks (6.47, 1.27, 27.60 ppm; 6.60 A): 2 out of 2 assignments used, quality = 0.98: QE TYR 76 + HG12 ILE 37 OK 95 100 95 100 6.7-7.3 11888/1.8=81, ~10841=81...(9) QD TYR 76 + HG12 ILE 37 OK 63 63 100 100 4.7-5.5 ~9011=75, ~10823=74...(19) Violated in 0 structures by 0.00 A. Peak 10839 from aliabs.peaks (7.13, 0.77, 12.10 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.98: QD TYR 72 + QD1 ILE 37 OK 98 98 100 100 1.8-2.2 9022/1094=63...(37) Violated in 0 structures by 0.00 A. Peak 10840 from aliabs.peaks (6.81, 0.77, 12.10 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 72 + QD1 ILE 37 OK 100 100 100 100 2.4-3.7 2.2/10839=81...(19) HE21 GLN 68 - QD1 ILE 37 far 0 99 0 - 8.1-10.1 Violated in 0 structures by 0.00 A. Peak 10841 from aliabs.peaks (6.49, 0.77, 12.10 ppm; 5.21 A increased from 4.63 A): 1 out of 2 assignments used, quality = 0.97: QD TYR 76 + QD1 ILE 37 OK 97 97 100 100 4.1-5.0 9019/1094=57, ~9011=52...(23) QE TYR 76 - QD1 ILE 37 far 0 92 0 - 6.0-6.6 Violated in 0 structures by 0.00 A. Peak 10842 from aliabs.peaks (6.79, 1.97, 37.79 ppm; 6.77 A): 1 out of 1 assignment used, quality = 0.93: QE TYR 72 + HB ILE 37 OK 93 93 100 100 5.7-6.5 9021/2.1=98, ~9022=97...(20) Violated in 0 structures by 0.00 A. Peak 10843 from aliabs.peaks (7.14, 1.97, 37.79 ppm; 6.16 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 72 + HB ILE 37 OK 100 100 100 100 4.1-5.3 9022/2.1=100...(43) Violated in 0 structures by 0.00 A. Peak 10845 from aliabs.peaks (1.18, 4.54, 57.72 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 41 + HA SER 38 OK 100 100 100 100 4.0-4.2 10864=93, 9040/3.0=63...(13) HG3 LYS 39 - HA SER 38 far 0 92 0 - 5.5-6.7 QG2 VAL 77 - HA SER 38 far 0 97 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 10846 from aliabs.peaks (0.94, 4.54, 57.72 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 37 + HA SER 38 OK 100 100 100 100 3.4-3.9 6423/3.0=89...(21) Violated in 0 structures by 0.00 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 4.7-4.8 4.9=100 HB2 SER 130 - HA LYS 39 far 0 95 0 - 7.0-9.2 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 3.0-4.8 9036/3.0=72, 9037/1.8=66...(12) QD TYR 76 + HB2 LYS 39 OK 54 57 95 100 5.1-6.6 ~9037=53, ~9037=48...(15) QE TYR 76 - HB2 LYS 19 far 0 54 0 - 10.0-33.2 Violated in 0 structures by 0.00 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 3.2-5.5 9036/4.0=84, 9037/2.9=80...(16) QD TYR 76 + HG2 LYS 39 OK 20 57 35 100 5.1-7.2 ~9037=64, ~9037=60...(17) Violated in 0 structures by 0.00 A. Peak 10851 from aliabs.peaks (6.48, 1.68, 29.61 ppm; 6.50 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 76 + HD2 LYS 39 OK 100 100 100 100 5.4-6.6 9037/3.6=77, 9036/5.3=72...(10) QD TYR 76 - HD2 LYS 39 far 0 68 0 - 7.3-8.5 Violated in 1 structures by 0.00 A. Peak 10853 from aliabs.peaks (3.83, 2.02, 28.21 ppm; 4.03 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 40 + HB3 GLU 40 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 40 - HB2 GLU 44 far 0 99 0 - 5.8-6.6 HB2 SER 130 - HB2 GLU 44 far 0 94 0 - 8.3-10.1 HD2 PRO 81 - HG2 ARG 90 far 0 59 0 - 9.4-10.4 HB2 SER 130 - HB3 GLU 40 far 0 97 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 10854 from aliabs.peaks (0.73, 2.39, 35.43 ppm; 4.50 A): 2 out of 5 assignments used, quality = 0.78: QG1 VAL 93 + HG3 GLU 97 OK 58 58 100 99 3.0-4.0 9972=60, 11850/1.8=38...(17) QD2 LEU 96 + HG3 GLU 97 OK 48 60 80 100 3.4-5.2 2.1/10010=51...(22) QD2 LEU 43 - HG3 GLU 40 far 0 90 0 - 6.1-7.3 HG12 ILE 129 - HG3 GLU 97 far 0 66 0 - 8.5-10.0 QD2 LEU 103 - HG3 GLU 97 far 0 82 0 - 9.3-10.2 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 3 assignments used, quality = 0.73: QB ALA 41 + HG3 GLU 40 OK 52 81 65 100 5.0-6.2 3.0/1274=64...(20) HG2 LYS 39 + HG3 GLU 40 OK 25 83 55 54 3.3-8.8 ~9059=22, 6452/1268=20...(5) HG3 LYS 39 + HG3 GLU 40 OK 24 99 45 53 5.0-8.6 9056/1269=26...(5) Violated in 3 structures by 0.01 A. Peak 10856 from aliabs.peaks (1.89, 1.18, 17.90 ppm; 5.54 A increased from 4.92 A): 1 out of 3 assignments used, quality = 0.96: HB2 GLU 40 + QB ALA 41 OK 96 96 100 100 4.9-5.3 1.8/10857=100...(20) HB3 LYS 36 - QB ALA 41 far 5 100 5 - 6.1-6.9 HB3 LEU 48 - QB ALA 41 far 0 99 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 10857 from aliabs.peaks (2.03, 1.18, 17.90 ppm; 4.02 A increased from 3.79 A): 1 out of 5 assignments used, quality = 0.99: HB3 GLU 40 + QB ALA 41 OK 99 99 100 100 3.8-3.9 6471/3.0=62, 1280/2.1=49...(19) HB2 GLU 44 - QB ALA 41 far 0 100 0 - 5.9-6.3 HG2 PRO 81 - QB ALA 41 far 0 78 0 - 9.2-12.1 HB ILE 129 - QB ALA 41 far 0 68 0 - 9.6-11.0 HG3 PRO 81 - QB ALA 41 far 0 81 0 - 9.6-11.6 Violated in 0 structures by 0.00 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 4.7-4.7 4.9=100 Violated in 0 structures by 0.00 A. Peak 10859 from aliabs.peaks (2.46, 1.18, 17.90 ppm; 6.19 A increased from 5.83 A): 1 out of 1 assignment used, quality = 0.81: HG3 GLU 44 + QB ALA 41 OK 81 81 100 100 3.9-5.9 9064/2.1=98...(16) 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 2 assignments used, quality = 0.90: HG2 GLU 40 + QB ALA 41 OK 70 100 70 100 4.4-6.1 3.0/10857=88...(19) HG2 GLU 44 + QB ALA 41 OK 65 65 100 100 4.4-4.8 ~9064=66, ~1409=64...(18) Violated in 0 structures by 0.00 A. Peak 10861 from aliabs.peaks (4.04, 3.91, 54.50 ppm; 6.18 A increased from 4.94 A): 2 out of 2 assignments used, quality = 1.00: HA GLU 44 + HA ALA 41 OK 100 100 100 100 6.1-6.3 3.0/1409=99, 2.8/6515=97...(10) HA ILE 37 + HA ALA 41 OK 90 90 100 100 5.7-6.0 10815/2.1=84, ~10819=83...(9) Violated in 0 structures by 0.00 A. Peak 10862 from aliabs.peaks (4.00, 1.18, 17.90 ppm; 3.64 A): 2 out of 3 assignments used, quality = 1.00: HB2 SER 38 + QB ALA 41 OK 98 100 100 98 2.1-2.7 9043=56, 1.8/9042=51...(10) HA ILE 37 + QB ALA 41 OK 83 85 100 98 2.8-3.0 3.2/10819=58...(10) HA GLN 68 - QB ALA 41 far 0 100 0 - 8.0-8.9 Violated in 0 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 4.3-5.1 2.7/9062=87...(5) Violated in 0 structures by 0.00 A. Peak 10864 from aliabs.peaks (4.53, 1.18, 17.90 ppm; 4.14 A increased from 3.90 A): 1 out of 3 assignments used, quality = 0.96: HA SER 38 + QB ALA 41 OK 96 96 100 100 4.0-4.2 10845=88, 3.0/9040=59...(13) HA TYR 72 - QB ALA 41 far 0 97 0 - 5.4-5.9 HA ASP 35 - QB ALA 41 far 0 71 0 - 7.7-8.5 Violated in 3 structures by 0.00 A. Peak 10865 from aliabs.peaks (4.30, 3.91, 54.50 ppm; 5.73 A): 0 out of 2 assignments used, quality = 0.00: HA LYS 36 - HA ALA 41 far 0 85 0 - 8.7-10.0 HA TYR 76 - HA ALA 41 far 0 100 0 - 9.8-10.9 Violated in 20 structures by 3.09 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 5.0-5.9 9063/2.1=100, ~9062=91...(7) HE21 GLN 68 - HA ALA 41 far 0 90 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. Peak 10867 from aliabs.peaks (8.29, 3.91, 54.50 ppm; 5.42 A increased from 5.10 A): 2 out of 3 assignments used, quality = 1.00: H GLU 40 + HA ALA 41 OK 99 99 100 100 5.2-5.4 6463/2.9=93...(9) H LEU 43 + HA ALA 41 OK 98 99 100 99 4.9-5.2 3.9/6515=75, 6496/2.9=65...(10) H TYR 72 - HA ALA 41 far 0 65 0 - 8.9-9.8 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 3.6-4.6 9111/2.1=88, 9108/2.1=77...(30) Violated in 0 structures by 0.00 A. Peak 10869 from aliabs.peaks (3.38, 1.49, 28.46 ppm; 6.06 A increased from 5.10 A): 1 out of 1 assignment used, quality = 0.93: HA LYS 39 + HG LEU 42 OK 93 93 100 100 5.7-6.0 10870/2.1=90...(7) Violated in 0 structures by 0.00 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 3.3-3.6 10578/10585=51...(13) Violated in 0 structures by 0.00 A. Peak 10871 from aliabs.peaks (2.07, 0.56, 24.08 ppm; 4.36 A): 0 out of 9 assignments used, quality = 0.00: HB3 LYS 39 - QD2 LEU 42 far 0 99 0 - 5.6-6.1 HG3 GLN 134 - QD2 LEU 42 far 0 99 0 - 5.8-6.8 HB3 GLU 44 - QD2 LEU 42 far 0 100 0 - 6.4-7.2 HG3 PRO 81 - QD2 LEU 42 far 0 81 0 - 7.4-8.2 HB2 GLU 128 - QD2 LEU 42 far 0 97 0 - 8.1-9.1 HB2 GLN 127 - QD2 LEU 42 far 0 78 0 - 8.7-9.4 HB2 PRO 81 - QD2 LEU 42 far 0 84 0 - 9.0-9.6 HB3 GLN 82 - QD2 LEU 42 far 0 85 0 - 9.2-11.8 HG3 GLU 91 - QD2 LEU 42 far 0 81 0 - 9.6-11.7 Violated in 20 structures by 0.67 A. Peak 10872 from aliabs.peaks (1.16, 0.63, 27.44 ppm; 5.06 A increased from 4.26 A): 2 out of 7 assignments used, quality = 0.90: QB ALA 41 + QD1 LEU 42 OK 85 85 100 100 4.8-5.0 10910/10821=79...(9) QG2 VAL 77 + QD1 LEU 42 OK 38 60 80 79 5.2-5.8 9676/11800=32...(9) HG3 LYS 39 - QD1 LEU 42 far 0 100 0 - 6.1-6.8 QG2 VAL 132 - QD1 LEU 42 far 0 89 0 - 6.4-7.1 HG2 LYS 39 - QD1 LEU 42 far 0 78 0 - 6.5-7.6 QG1 VAL 132 - QD1 LEU 42 far 0 60 0 - 6.7-7.4 QG2 THR 25 - QD1 LEU 42 far 0 83 0 - 8.7-15.7 Violated in 0 structures by 0.00 A. Peak 10873 from aliabs.peaks (1.16, 0.56, 24.08 ppm; 4.49 A increased from 3.59 A): 1 out of 5 assignments used, quality = 0.94: HG3 LYS 39 + QD2 LEU 42 OK 94 100 100 94 4.0-4.5 4.0/10870=57...(9) HG2 LYS 39 - QD2 LEU 42 poor 18 68 30 87 4.7-5.6 4.0/10870=57...(9) QG2 VAL 132 - QD2 LEU 42 far 0 81 0 - 5.3-6.0 QB ALA 41 - QD2 LEU 42 far 0 92 0 - 5.3-5.5 QG2 VAL 77 - QD2 LEU 42 far 0 71 0 - 5.9-6.3 Violated in 1 structures by 0.00 A. Peak 10874 from aliabs.peaks (3.01, 0.63, 27.44 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.99: HB2 TYR 72 + QD1 LEU 42 OK 99 99 100 100 2.2-2.8 1.8/9091=84...(25) Violated in 0 structures by 0.00 A. Peak 10875 from aliabs.peaks (3.01, 0.56, 24.08 ppm; 4.89 A increased from 4.60 A): 1 out of 1 assignment used, quality = 0.99: HB2 TYR 72 + QD2 LEU 42 OK 99 99 100 100 4.3-4.8 1.8/9095=89...(22) Violated in 0 structures by 0.00 A. Peak 10876 from aliabs.peaks (3.90, 0.56, 24.08 ppm; 5.36 A increased from 4.28 A): 1 out of 6 assignments used, quality = 0.99: HA ALA 46 + QD2 LEU 42 OK 99 99 100 100 4.8-5.3 2.1/9177=99, 2.9/9106=73...(10) HA ALA 41 - QD2 LEU 42 far 0 93 0 - 6.6-6.8 HA LEU 70 - QD2 LEU 42 far 0 85 0 - 7.2-7.6 HA LYS 86 - QD2 LEU 42 far 0 95 0 - 7.6-8.1 HA3 GLY 75 - QD2 LEU 42 far 0 99 0 - 7.8-8.2 HB3 SER 50 - QD2 LEU 42 far 0 81 0 - 8.5-10.4 Violated in 0 structures by 0.00 A. Peak 10877 from aliabs.peaks (4.04, 0.56, 24.08 ppm; 5.18 A): 0 out of 7 assignments used, quality = 0.00: HA GLU 44 - QD2 LEU 42 far 0 99 0 - 6.5-6.9 HD3 PRO 81 - QD2 LEU 42 far 0 100 0 - 6.6-7.3 HA ILE 37 - QD2 LEU 42 far 0 92 0 - 6.9-7.8 HB3 SER 74 - QD2 LEU 42 far 0 73 0 - 8.6-9.8 HB2 SER 74 - QD2 LEU 42 far 0 83 0 - 8.7-9.4 HA ARG 135 - QD2 LEU 42 far 0 87 0 - 9.1-9.5 HA ALA 92 - QD2 LEU 42 far 0 85 0 - 9.7-10.3 Violated in 20 structures by 0.42 A. Peak 10878 from aliabs.peaks (4.27, 0.56, 24.08 ppm; 5.24 A): 0 out of 1 assignment used, quality = 0.00: HA SER 74 - QD2 LEU 42 far 0 89 0 - 7.7-8.1 Violated in 20 structures by 2.65 A. Peak 10879 from aliabs.peaks (4.53, 0.56, 24.08 ppm; 6.59 A): 2 out of 2 assignments used, quality = 0.98: HA TYR 72 + QD2 LEU 42 OK 96 96 100 100 5.8-6.2 9115/2.1=100...(28) HA SER 38 + QD2 LEU 42 OK 48 95 100 51 6.1-6.6 ~6425=21, 9032/9109=20 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 5 assignments used, quality = 0.89: HA TYR 76 + QD1 LEU 42 OK 89 89 100 100 4.2-4.8 9615=82, 3.0/9092=77...(20) HA SER 74 - QD1 LEU 42 far 0 100 0 - 5.9-6.1 HA ALA 15 - QD1 LEU 42 far 0 97 0 - 8.6-34.5 HA ASP 131 - QD1 LEU 42 far 0 87 0 - 8.7-9.7 HA LYS 36 - QD1 LEU 42 far 0 99 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 10881 from aliabs.peaks (2.09, 3.78, 57.62 ppm; 5.90 A increased from 5.25 A): 1 out of 4 assignments used, quality = 0.88: HB3 GLU 44 + HA LEU 43 OK 88 89 100 99 5.6-6.1 6527/3.6=86, ~9140=58...(9) HG3 GLN 134 - HA LEU 43 poor 19 95 20 - 6.1-7.5 HB3 LYS 39 - HA LEU 43 far 0 97 0 - 7.0-7.8 HB VAL 126 - HA LEU 43 far 0 85 0 - 8.8-9.5 Violated in 3 structures by 0.02 A. Peak 10882 from aliabs.peaks (1.20, 3.78, 57.62 ppm; 4.40 A): 0 out of 3 assignments used, quality = 0.00: QB ALA 41 - HA LEU 43 far 0 78 0 - 6.7-6.9 QG2 THR 65 - HA LEU 43 far 0 63 0 - 8.1-8.7 HG12 ILE 80 - HA LEU 43 far 0 95 0 - 9.6-11.1 Violated in 20 structures by 2.03 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 2.7-3.1 1338/2.8=72, 9085/3.7=61...(16) Violated in 0 structures by 0.00 A. Peak 10884 from aliabs.peaks (1.02, 3.78, 57.62 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.98: QG2 VAL 133 + HA LEU 43 OK 86 87 100 99 4.4-5.2 11072/1345=62...(12) QD1 LEU 69 + HA LEU 43 OK 82 90 100 91 4.3-4.6 11063/1348=57...(5) Violated in 0 structures by 0.00 A. Peak 10885 from aliabs.peaks (8.50, 2.48, 34.64 ppm; 6.29 A increased from 5.30 A): 1 out of 2 assignments used, quality = 0.63: H ALA 46 + HG3 GLU 44 OK 63 63 100 100 5.7-6.1 3.2/1430=94, ~1423=70...(8) H LEU 100 - HG3 GLN 104 far 0 63 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. Peak 10886 from aliabs.peaks (1.71, 4.11, 62.25 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: HG LEU 48 + HA CYS 45 OK 100 100 100 100 2.0-4.3 3.0/1438=75, 3.0/1437=69...(14) HB2 LEU 43 - HA CYS 45 far 0 99 0 - 7.6-7.7 Violated in 0 structures by 0.00 A. Peak 10887 from aliabs.peaks (0.90, 2.93, 26.00 ppm; 4.73 A): 2 out of 3 assignments used, quality = 0.99: QD1 LEU 48 + HB2 CYS 45 OK 96 97 100 100 4.2-5.1 1529/3.0=59, ~10886=42...(29) QD1 LEU 49 + HB2 CYS 45 OK 67 93 95 76 4.3-5.8 10888/1.8=36...(8) QD2 LEU 48 - HB2 CYS 45 far 0 100 0 - 5.9-7.3 Violated in 0 structures by 0.00 A. Peak 10888 from aliabs.peaks (0.90, 3.12, 26.00 ppm; 4.84 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 48 + HB3 CYS 45 OK 99 99 100 100 3.4-4.1 1529/3.0=62...(30) QD1 LEU 49 + HB3 CYS 45 OK 86 97 100 89 3.6-4.6 10966/10891=36...(9) QD2 LEU 48 - HB3 CYS 45 far 0 99 0 - 5.5-6.3 QD1 LEU 123 - HB3 CYS 45 far 0 73 0 - 9.7-10.8 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 2 assignments used, quality = 0.89: QB ALA 41 + HB2 CYS 45 OK 72 78 100 92 5.1-6.1 9526/9143=56...(5) QG2 THR 65 + HB2 CYS 45 OK 61 63 100 96 4.8-5.8 11047/11062=60...(6) 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 1 assignment used, quality = 0.87: QB ALA 46 + HB2 CYS 45 OK 87 87 100 100 4.0-5.1 4.5=100 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 3.5-4.5 9155/3.0=97...(9) Violated in 0 structures by 0.00 A. Peak 10892 from aliabs.peaks (1.34, 3.12, 26.00 ppm; 5.98 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 46 + HB3 CYS 45 OK 100 100 100 100 4.7-5.2 4.5=100 Violated in 0 structures by 0.00 A. Peak 10893 from aliabs.peaks (1.70, 3.12, 26.00 ppm; 6.36 A increased from 5.35 A): 1 out of 4 assignments used, quality = 0.87: HG LEU 48 + HB3 CYS 45 OK 87 87 100 100 4.3-6.4 3.0/10894=79...(27) HB3 LEU 70 - HB3 CYS 45 far 0 85 0 - 8.3-8.7 HB2 LEU 43 - HB3 CYS 45 far 0 99 0 - 8.4-8.7 HB2 LEU 70 - HB3 CYS 45 far 0 97 0 - 9.4-10.0 Violated in 1 structures by 0.00 A. Peak 10894 from aliabs.peaks (1.92, 3.12, 26.00 ppm; 6.03 A): 1 out of 3 assignments used, quality = 0.78: HB3 LEU 48 + HB3 CYS 45 OK 78 78 100 100 4.2-4.8 1438/3.0=73, ~1437=73...(29) HB3 LEU 49 - HB3 CYS 45 far 0 100 0 - 7.6-8.9 HG LEU 53 - HB3 CYS 45 far 0 83 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 10895 from aliabs.peaks (3.88, 3.12, 26.00 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.96: HA ALA 46 + HB3 CYS 45 OK 96 96 100 100 4.3-5.0 11057/11072=91, ~6555=90...(10) HA LEU 70 - HB3 CYS 45 far 0 100 0 - 8.3-8.8 HB3 SER 50 - HB3 CYS 45 far 0 100 0 - 9.1-10.9 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 4.9-5.4 9547/3.0=98, 9142/2.8=91...(14) HE21 GLN 68 + HA CYS 45 OK 63 95 100 67 3.3-5.2 9146/3.0=31, ~6541=23...(5) HE21 GLN 127 - HA CYS 45 far 0 85 0 - 8.4-14.8 Violated in 0 structures by 0.00 A. Peak 10897 from aliabs.peaks (7.15, 4.11, 62.25 ppm; 6.25 A): 1 out of 1 assignment used, quality = 0.95: QD TYR 72 + HA CYS 45 OK 95 95 100 100 5.3-5.8 9143/3.0=91, ~9547=75...(17) Violated in 0 structures by 0.00 A. Peak 10898 from aliabs.peaks (0.77, 3.89, 55.30 ppm; 5.21 A increased from 4.39 A): 4 out of 8 assignments used, quality = 0.96: QD2 LEU 49 + HA ALA 46 OK 67 68 100 98 4.4-5.1 2.1/9209=59, 5.0/1455=52...(13) QD1 LEU 96 + HA ALA 46 OK 67 100 95 70 5.3-5.8 11061/11054=41...(5) QD2 LEU 96 + HA ALA 46 OK 50 78 95 67 5.0-6.4 11037/11057=59...(3) HG12 ILE 129 + HA ALA 46 OK 27 71 40 95 4.7-8.4 ~11636=59, ~11245=56...(5) QD2 LEU 43 - HA ALA 46 poor 16 65 25 - 5.4-6.1 QD1 LEU 53 - HA ALA 46 far 0 78 0 - 6.0-7.6 QD2 LEU 122 - HA ALA 46 far 0 92 0 - 7.9-9.4 QG1 VAL 93 - HA ALA 46 far 0 81 0 - 8.1-8.6 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 3 assignments used, quality = 0.97: HB2 LEU 49 + HA ALA 46 OK 87 90 100 96 3.5-4.4 3.9/1455=50, 3.2/9209=48...(12) HG LEU 42 + HA ALA 46 OK 74 99 75 99 5.0-5.4 ~9177=64, ~9177=61...(9) QB ALA 52 - HA ALA 46 far 0 100 0 - 8.0-8.2 Violated in 0 structures by 0.00 A. Peak 10900 from aliabs.peaks (0.84, 1.34, 16.76 ppm; 3.07 A): 1 out of 7 assignments used, quality = 0.66: QD2 LEU 69 + QB ALA 46 OK 66 68 100 97 2.9-3.1 2.1/11046=51, 11045=35...(19) QG2 ILE 129 - QB ALA 46 far 0 90 0 - 3.7-4.3 QG1 VAL 133 - QB ALA 46 far 0 100 0 - 4.9-5.6 QD2 LEU 70 - QB ALA 46 far 0 89 0 - 6.4-6.9 QD1 LEU 70 - QB ALA 46 far 0 63 0 - 8.2-8.6 HG13 ILE 80 - QB ALA 46 far 0 63 0 - 8.6-9.3 QG2 ILE 80 - QB ALA 46 far 0 71 0 - 9.2-10.1 Violated in 3 structures by 0.00 A. Peak 10901 from aliabs.peaks (4.33, 1.34, 16.76 ppm; 4.19 A): 2 out of 6 assignments used, quality = 0.99: HA ASP 47 + QB ALA 46 OK 99 100 100 99 3.9-3.9 2.9/6568=74...(11) HA LEU 69 + QB ALA 46 OK 28 95 30 98 4.6-4.9 3.9/10900=65...(11) HA ASP 131 - QB ALA 46 far 0 65 0 - 6.3-7.0 HA CYS 125 - QB ALA 46 far 0 81 0 - 7.6-7.8 HA GLN 134 - QB ALA 46 far 0 87 0 - 8.0-8.7 HA TYR 76 - QB ALA 46 far 0 63 0 - 9.3-9.8 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 4.7-4.7 ~6568=84, ~1462=83...(12) HA LEU 69 + HA ALA 46 OK 71 71 100 100 4.7-5.1 3.9/11054=95...(14) HA ASP 131 - HA ALA 46 far 0 92 0 - 9.8-10.5 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 1 assignment used, quality = 1.00: QB ALA 46 + HB3 ASP 47 OK 100 100 100 100 4.2-5.0 6568/6571=96...(9) Violated in 0 structures by 0.00 A. Peak 10904 from aliabs.peaks (0.92, 2.83, 39.77 ppm; 5.68 A increased from 5.05 A): 3 out of 4 assignments used, quality = 0.96: QD1 LEU 48 + HB3 ASP 47 OK 88 96 100 92 5.4-5.6 4.8/6582=76, ~10956=38...(4) QD2 LEU 48 + HB3 ASP 47 OK 54 68 90 88 3.7-6.4 5.0/6582=73...(3) QD1 LEU 49 + HB3 ASP 47 OK 28 98 65 44 5.7-6.5 6588/6582=26...(3) QD1 LEU 123 - HB3 ASP 47 far 0 100 0 - 7.9-8.6 Violated in 0 structures by 0.00 A. Peak 10905 from aliabs.peaks (2.02, 2.83, 39.77 ppm; 5.10 A increased from 4.80 A): 1 out of 5 assignments used, quality = 0.99: HB2 GLU 44 + HB3 ASP 47 OK 99 100 100 99 4.7-5.2 3.0/1400=88, ~1471=58...(7) HB2 GLN 127 - HB3 ASP 47 far 0 60 0 - 8.3-10.5 HB ILE 129 - HB3 ASP 47 far 0 89 0 - 8.6-10.7 HB3 GLU 40 - HB3 ASP 47 far 0 100 0 - 9.8-10.9 HB3 LEU 53 - HB3 ASP 47 far 0 68 0 - 9.9-12.1 Violated in 3 structures by 0.00 A. Peak 10906 from aliabs.peaks (1.22, 0.90, 23.93 ppm; 3.51 A): 2 out of 4 assignments used, quality = 0.99: QG2 THR 65 + QD2 LEU 48 OK 98 100 100 98 3.0-4.0 9441/2.1=53...(19) QG2 THR 65 + QD1 LEU 48 OK 64 66 100 98 1.9-2.6 9441/2.1=53...(20) QG2 THR 54 - QD2 LEU 48 far 0 89 0 - 6.6-7.8 QG2 THR 54 - QD1 LEU 48 far 0 52 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 10907 from aliabs.peaks (4.02, 1.89, 41.65 ppm; 4.10 A): 0 out of 3 assignments used, quality = 0.00: HA GLU 44 - HB3 LEU 48 far 0 78 0 - 6.1-6.8 HA SER 50 - HB3 LEU 48 far 0 76 0 - 7.5-7.9 HA GLN 68 - HB3 LEU 48 far 0 89 0 - 8.3-9.4 Violated in 20 structures by 1.89 A. Peak 10908 from aliabs.peaks (0.87, 4.13, 54.29 ppm; 4.05 A): 1 out of 4 assignments used, quality = 0.97: QG2 VAL 57 + HA ALA 52 OK 97 97 100 100 2.7-3.3 9304=92, 9317/2.1=88...(15) QD2 LEU 48 - HA ALA 52 far 0 63 0 - 5.2-6.6 QD2 LEU 123 - HA ALA 52 far 0 92 0 - 6.5-7.3 QD2 LEU 69 - HA ALA 52 far 0 100 0 - 9.3-9.7 Violated in 0 structures by 0.00 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 2.0-4.4 3.0/9238=71...(10) Violated in 0 structures by 0.00 A. Peak 10910 from aliabs.peaks (3.65, 4.13, 54.29 ppm; 6.34 A increased from 5.64 A): 1 out of 3 assignments used, quality = 0.96: HD2 PRO 56 + HA ALA 52 OK 96 96 100 100 5.9-6.2 9292/9229=81...(7) HD2 PRO 58 - HA ALA 52 far 7 65 10 - 6.8-7.5 HD3 PRO 56 - HA ALA 52 far 5 100 5 - 6.8-7.3 Violated in 0 structures by 0.00 A. Peak 10911 from aliabs.peaks (3.65, 1.48, 18.03 ppm; 5.64 A increased from 5.01 A): 1 out of 5 assignments used, quality = 0.65: HD2 PRO 58 + QB ALA 52 OK 65 65 100 100 5.1-5.5 3.9/9312=92, 4.6/9317=86...(5) HD2 PRO 56 - QB ALA 52 far 0 96 0 - 6.6-7.0 HA2 GLY 66 - QB ALA 52 far 0 89 0 - 7.0-7.6 HA3 GLY 66 - QB ALA 52 far 0 96 0 - 7.2-7.8 HD3 PRO 56 - QB ALA 52 far 0 100 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 10912 from aliabs.peaks (2.43, 3.65, 49.73 ppm; 4.65 A increased from 4.38 A): 1 out of 3 assignments used, quality = 0.78: HG2 GLU 55 + HD2 PRO 56 OK 78 78 100 100 3.7-4.6 9283=87, 1.8/9284=78...(25) HG2 GLU 55 - HD3 PRO 56 far 9 92 10 - 4.9-5.4 HG3 GLN 61 - HD2 PRO 56 far 0 53 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 10913 from aliabs.peaks (0.87, 3.65, 49.73 ppm; 5.21 A): 2 out of 5 assignments used, quality = 0.99: QG2 VAL 57 + HD3 PRO 56 OK 94 95 100 99 5.2-5.5 10919/3.6=69, ~9292=64...(10) QG2 VAL 57 + HD2 PRO 56 OK 80 81 100 100 4.6-4.9 2.1/9292=85...(10) QD2 LEU 123 - HD3 PRO 56 far 0 96 0 - 9.0-9.9 QD2 LEU 123 - HD2 PRO 56 far 0 82 0 - 9.2-10.1 QD2 LEU 48 - HD2 PRO 56 far 0 57 0 - 9.5-10.7 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 2 assignments used, quality = 0.00: QB ALA 109 - HA PRO 56 far 0 97 0 - 7.7-8.9 QB ALA 110 - HA PRO 56 far 0 100 0 - 9.0-10.6 Violated in 20 structures by 2.92 A. Peak 10917 from aliabs.peaks (0.94, 4.67, 62.91 ppm; 5.15 A): 1 out of 6 assignments used, quality = 1.00: QG1 VAL 57 + HA PRO 56 OK 100 100 100 100 4.4-4.6 10920=100, 2.1/10919=92...(6) QD1 LEU 62 - HA PRO 56 far 0 65 0 - 5.8-6.9 QG1 VAL 112 - HA PRO 56 far 0 71 0 - 6.4-7.7 QD2 LEU 53 - HA PRO 56 far 0 68 0 - 6.5-8.0 QD1 LEU 119 - HA PRO 56 far 0 100 0 - 6.7-7.8 QG2 VAL 112 - HA PRO 56 far 0 89 0 - 7.0-7.9 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 2 assignments used, quality = 0.98: QG2 VAL 57 + HA PRO 56 OK 98 98 100 100 3.5-3.8 10919=96, 6706/6697=91...(6) QD2 LEU 123 - HA PRO 56 far 0 90 0 - 8.9-9.3 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 1 assignment used, quality = 0.96: HA PRO 56 + QG2 VAL 57 OK 96 100 100 97 3.5-3.8 6697/1802=73...(6) Violated in 0 structures by 0.00 A. Peak 10920 from aliabs.peaks (4.67, 0.94, 21.27 ppm; 4.82 A increased from 4.28 A): 1 out of 4 assignments used, quality = 1.00: HA PRO 56 + QG1 VAL 57 OK 100 100 100 100 4.4-4.6 10919/2.1=87, 10917=82...(6) HA HIS 8 - QG1 VAL 105 far 3 64 5 - 4.4-39.4 HA ASN 13 - QG1 VAL 105 far 0 43 0 - 6.9-32.2 HA HIS 10 - QG1 VAL 105 far 0 64 0 - 8.9-33.5 Violated in 0 structures by 0.00 A. Peak 10921 from aliabs.peaks (2.39, 4.59, 58.62 ppm; 5.31 A): 2 out of 3 assignments used, quality = 0.92: HB3 PRO 58 + HA VAL 57 OK 87 87 100 100 4.8-4.9 ~9309=52, ~9308=52...(25) HG3 GLN 61 + HA VAL 57 OK 36 90 40 100 5.0-6.9 10937/3.2=75...(22) HG3 GLU 55 - HA VAL 57 far 4 87 5 - 5.4-8.6 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 3.4-4.1 10032/2.1=99...(9) QD2 LEU 100 - HB VAL 57 far 0 100 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 10923 from aliabs.peaks (0.68, 0.94, 21.27 ppm; 4.07 A increased from 3.43 A): 1 out of 3 assignments used, quality = 0.99: QD2 LEU 62 + QG1 VAL 57 OK 99 99 100 100 3.6-4.3 10032/2.1=88...(11) QD2 LEU 100 - QG1 VAL 105 far 0 65 0 - 6.2-6.8 QD2 LEU 100 - QG1 VAL 57 far 0 99 0 - 8.5-9.5 Violated in 1 structures by 0.01 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): 2 out of 3 assignments used, quality = 0.96: QB ALA 109 + HA PRO 58 OK 85 99 100 86 3.8-5.6 9349/6709=58, 11794=29...(7) QB ALA 110 + HA PRO 58 OK 76 100 100 76 4.3-5.9 10930/2.3=46, 11794=21...(8) QB ALA 108 - HA PRO 58 far 0 100 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 10926 from aliabs.peaks (0.93, 4.45, 62.57 ppm; 5.57 A increased from 4.69 A): 3 out of 5 assignments used, quality = 0.99: QG1 VAL 57 + HA PRO 58 OK 97 97 100 100 5.3-5.5 9309/3.6=89, 9308/3.6=89...(9) QD1 LEU 62 + HA PRO 58 OK 51 85 100 60 5.3-6.1 9385/3.6=52, 3795/10927=15 QG2 VAL 112 + HA PRO 58 OK 47 98 100 48 4.2-5.4 11496/10925=37...(3) QD1 LEU 119 - HA PRO 58 far 0 99 0 - 6.2-7.3 QG2 VAL 63 - HA PRO 58 far 0 78 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 10927 from aliabs.peaks (0.81, 4.45, 62.57 ppm; 5.94 A): 1 out of 5 assignments used, quality = 0.34: QD2 LEU 119 + HA PRO 58 OK 34 78 100 43 4.7-5.8 9327/2.3=35...(3) QD1 LEU 53 - HA PRO 58 far 0 87 0 - 8.2-10.8 QG1 VAL 63 - HA PRO 58 far 0 60 0 - 9.2-9.6 QD1 LEU 122 - HA PRO 58 far 0 100 0 - 9.4-12.6 QD2 LEU 122 - HA PRO 58 far 0 71 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 10929 from aliabs.peaks (0.95, 2.41, 32.16 ppm; 5.75 A increased from 4.60 A): 1 out of 5 assignments used, quality = 0.98: QG1 VAL 57 + HB3 PRO 58 OK 98 98 100 100 5.4-5.7 9309/3.0=96, 9308/3.0=96...(22) QG2 VAL 112 - HB3 PRO 58 poor 8 63 40 30 5.4-6.8 10926/2.3=14...(3) QG1 VAL 112 - HB3 PRO 58 far 0 93 0 - 7.4-8.7 QD1 LEU 119 - HB3 PRO 58 far 0 95 0 - 8.1-9.2 QD2 LEU 53 - HB3 PRO 58 far 0 92 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 10930 from aliabs.peaks (1.38, 2.41, 32.16 ppm; 5.45 A): 2 out of 3 assignments used, quality = 0.70: QB ALA 110 + HB3 PRO 58 OK 56 100 100 56 3.9-5.5 10925/2.3=37...(6) QB ALA 109 + HB3 PRO 58 OK 33 99 45 74 5.2-7.0 9349/6711=51...(4) QB ALA 108 - HB3 PRO 58 far 0 100 0 - 8.1-10.2 Violated in 0 structures by 0.00 A. Peak 10931 from aliabs.peaks (2.03, 2.87, 38.13 ppm; 6.80 A increased from 6.58 A): 3 out of 5 assignments used, quality = 1.00: HG2 PRO 58 + HB3 ASN 59 OK 98 99 100 100 6.4-6.9 10978/6739=95...(3) HB2 LEU 62 + HB3 ASN 59 OK 76 76 100 100 5.6-6.9 ~10947=79, ~9388=78...(30) HB VAL 63 + HB3 ASN 59 OK 47 95 50 100 6.7-7.8 ~10967=95, 2.1/10968=74...(6) HG3 PRO 58 - HB3 ASN 59 poor 18 60 30 - 7.2-7.8 HG3 PRO 113 - HB3 ASN 59 far 0 76 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 10932 from aliabs.peaks (2.04, 2.61, 38.13 ppm; 5.84 A increased from 5.19 A): 2 out of 6 assignments used, quality = 0.97: HB2 LEU 62 + HB2 ASN 59 OK 92 92 100 100 4.6-5.7 1880/3.0=85...(30) HB VAL 118 + HB2 ASN 59 OK 58 76 95 80 5.3-6.7 11548/11833=56...(5) HB VAL 63 - HB2 ASN 59 poor 16 81 20 - 6.1-7.0 HG2 PRO 58 - HB2 ASN 59 far 0 90 0 - 7.2-7.5 HG3 PRO 58 - HB2 ASN 59 far 0 81 0 - 8.4-8.6 HG2 PRO 117 - HB2 ASN 59 far 0 98 0 - 9.3-10.5 Violated in 0 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 3.3-4.0 2.1/11833=97, ~11834=81...(21) Violated in 0 structures by 0.00 A. Peak 10934 from aliabs.peaks (3.63, 2.28, 33.67 ppm; 5.10 A): 1 out of 5 assignments used, quality = 0.91: HD2 PRO 58 + HG2 GLN 61 OK 91 92 100 99 2.8-4.7 10935/1.8=81...(9) HD2 PRO 56 - HG2 GLN 61 far 0 73 0 - 8.5-10.6 HA3 GLY 66 - HG2 GLN 61 far 0 100 0 - 8.7-10.7 HA2 GLY 66 - HG2 GLN 61 far 0 100 0 - 8.9-11.0 HD3 PRO 56 - HG2 GLN 61 far 0 95 0 - 9.7-11.6 Violated in 0 structures by 0.00 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 3.7-4.9 10934/1.8=74...(12) HA3 GLY 66 - HG3 GLN 61 far 0 99 0 - 8.2-9.1 HA2 GLY 66 - HG3 GLN 61 far 0 100 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 10936 from aliabs.peaks (0.87, 2.41, 33.67 ppm; 4.13 A increased from 3.88 A): 1 out of 5 assignments used, quality = 0.97: QG2 VAL 57 + HG3 GLN 61 OK 97 97 100 100 3.0-4.6 10938/1.8=79...(25) QD2 LEU 48 - HG3 GLN 61 far 0 65 0 - 5.3-7.7 QD2 LEU 69 - HG3 GLN 61 far 0 100 0 - 8.6-9.4 QG1 VAL 118 - HG3 GLN 61 far 0 71 0 - 9.2-10.5 QD2 LEU 123 - HG3 GLN 61 far 0 93 0 - 9.4-10.7 Violated in 3 structures by 0.07 A. Peak 10937 from aliabs.peaks (0.95, 2.41, 33.67 ppm; 3.89 A): 1 out of 7 assignments used, quality = 0.97: QG1 VAL 57 + HG3 GLN 61 OK 97 97 100 100 3.0-4.4 9377/1.8=74...(27) QD2 LEU 53 - HG3 GLN 61 far 0 95 0 - 5.6-7.4 QD1 LEU 119 - HG3 GLN 61 far 0 92 0 - 8.6-10.2 QG2 VAL 126 - HG3 GLN 61 far 0 98 0 - 8.9-9.8 QG1 VAL 126 - HG3 GLN 61 far 0 100 0 - 9.0-9.8 QD1 LEU 123 - HG3 GLN 61 far 0 63 0 - 9.5-11.1 QG2 VAL 112 - HG3 GLN 61 far 0 57 0 - 9.7-11.2 Violated in 4 structures by 0.05 A. Peak 10938 from aliabs.peaks (0.87, 2.28, 33.67 ppm; 4.00 A): 1 out of 5 assignments used, quality = 0.92: QG2 VAL 57 + HG2 GLN 61 OK 92 92 100 100 3.3-4.5 2.1/9377=76...(22) QD2 LEU 48 - HG2 GLN 61 far 0 76 0 - 5.8-8.1 QD2 LEU 69 - HG2 GLN 61 far 0 99 0 - 8.7-10.3 QG1 VAL 118 - HG2 GLN 61 far 0 81 0 - 10.0-11.6 QD2 LEU 123 - HG2 GLN 61 far 0 97 0 - 10.0-11.3 Violated in 4 structures by 0.06 A. Peak 10939 from aliabs.peaks (0.80, 3.83, 57.95 ppm; 3.63 A): 2 out of 16 assignments used, quality = 0.75: QD1 LEU 53 + HA LEU 123 OK 55 58 100 95 1.8-4.0 11571/3.0=48...(17) QD2 LEU 49 + HA LEU 62 OK 44 100 60 74 4.0-4.4 9431/10993=31...(7) QD2 LEU 49 - HA LEU 123 poor 18 59 55 56 3.7-4.5 11613/10393=14, 9206=11...(10) QD1 LEU 53 - HA LEU 62 far 5 100 5 - 3.9-5.7 QD1 LEU 122 - HA LEU 123 far 3 55 5 - 2.5-5.8 QD1 LEU 122 - HA LEU 62 far 0 98 0 - 4.5-8.0 QD1 LEU 96 - HA LEU 123 far 0 36 0 - 5.0-6.0 QD2 LEU 122 - HA LEU 123 far 0 53 0 - 5.0-6.0 QD2 LEU 122 - HA LEU 62 far 0 97 0 - 5.0-8.0 QD2 LEU 119 - HA LEU 62 far 0 99 0 - 5.2-5.7 QD1 LEU 103 - HA LEU 62 far 0 90 0 - 5.7-6.6 QG1 VAL 63 - HA LEU 62 far 0 92 0 - 6.1-6.1 QD1 LEU 96 - HA LEU 62 far 0 73 0 - 6.8-7.6 QD2 LEU 119 - HA LEU 123 far 0 56 0 - 7.4-8.2 QD1 LEU 103 - HA LEU 123 far 0 48 0 - 8.4-9.5 QG2 ILE 129 - HA LEU 123 far 0 32 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 10940 from aliabs.peaks (0.77, 1.14, 42.10 ppm; 4.52 A): 4 out of 8 assignments used, quality = 1.00: QD1 LEU 103 + HB3 LEU 62 OK 99 99 100 100 3.2-4.8 2.1/11823=91...(12) QD2 LEU 119 + HB3 LEU 62 OK 91 92 100 99 2.9-4.4 10992/3.0=60, ~10951=35...(23) QD1 LEU 53 + HB3 LEU 62 OK 66 85 80 97 3.1-6.5 ~10338=50, ~10338=47...(12) QD2 LEU 49 + HB3 LEU 62 OK 46 76 75 81 3.7-5.7 10994/3.0=36, ~10950=24...(10) QD2 LEU 122 - HB3 LEU 62 poor 19 96 20 - 3.4-7.8 QG1 VAL 63 - HB3 LEU 62 far 0 99 0 - 5.7-6.1 QD1 LEU 96 - HB3 LEU 62 far 0 100 0 - 6.1-8.2 QD2 LEU 96 - HB3 LEU 62 far 0 71 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 10941 from aliabs.peaks (1.48, 0.68, 23.19 ppm; 3.14 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 52 + QD2 LEU 62 OK 100 100 100 100 1.7-1.8 9232=95, 9317/9319=47...(17) HB2 LEU 49 - QD2 LEU 62 far 0 89 0 - 4.7-5.5 HB2 LEU 49 - QD2 LEU 100 far 0 68 0 - 6.5-7.4 QB ALA 52 - QD2 LEU 100 far 0 83 0 - 6.7-7.3 Violated in 0 structures by 0.00 A. Peak 10942 from aliabs.peaks (1.36, 0.68, 23.19 ppm; 4.56 A): 1 out of 11 assignments used, quality = 0.78: HB3 LEU 100 + QD2 LEU 100 OK 78 78 100 100 2.1-2.3 3.2=100 HB2 LEU 96 - QD2 LEU 100 far 0 68 0 - 5.8-6.6 QB ALA 109 - QD2 LEU 62 far 0 73 0 - 7.2-8.3 QB ALA 15 - QD2 LEU 100 far 0 66 0 - 7.5-29.8 QB ALA 46 - QD2 LEU 62 far 0 73 0 - 8.3-8.6 QB ALA 46 - QD2 LEU 100 far 0 54 0 - 8.3-8.9 QB ALA 109 - QD2 LEU 100 far 0 54 0 - 8.5-9.4 HB2 LEU 96 - QD2 LEU 62 far 0 89 0 - 8.6-9.3 HB3 LEU 100 - QD2 LEU 62 far 0 97 0 - 8.6-9.2 QB ALA 110 - QD2 LEU 62 far 0 85 0 - 9.1-10.3 QB ALA 108 - QD2 LEU 100 far 0 69 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 10943 from aliabs.peaks (1.80, 0.68, 23.19 ppm; 4.69 A): 5 out of 11 assignments used, quality = 0.99: HB3 LEU 103 + QD2 LEU 100 OK 78 81 100 96 3.0-3.6 9399/9386=34...(17) HB3 LEU 122 + QD2 LEU 100 OK 70 79 90 100 3.9-5.6 ~9487=54, ~9487=38...(30) HB2 LEU 100 + QD2 LEU 100 OK 56 56 100 100 3.1-3.2 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 30 98 85 37 4.4-7.5 ~2012=10, 4.3/11008=10...(7) HB2 LEU 48 - QD2 LEU 62 far 0 83 0 - 5.3-5.8 HG LEU 100 - QD2 LEU 62 far 0 68 0 - 7.0-7.7 HB3 LEU 103 - QD2 LEU 62 far 0 99 0 - 7.3-7.9 HB3 LEU 98 - QD2 LEU 100 far 0 69 0 - 8.1-8.8 HB2 LEU 48 - QD2 LEU 100 far 0 62 0 - 8.1-9.0 HB2 LEU 100 - QD2 LEU 62 far 0 76 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 10944 from aliabs.peaks (1.94, 0.68, 23.19 ppm; 4.33 A increased from 3.85 A): 2 out of 9 assignments used, quality = 1.00: HG LEU 53 + QD2 LEU 62 OK 99 99 100 100 2.0-4.5 2.1/10338=89...(14) HB3 LEU 49 + QD2 LEU 62 OK 49 65 100 75 3.5-4.5 1682/10338=23...(9) HB3 LEU 49 - QD2 LEU 100 far 0 47 0 - 5.7-6.7 HG LEU 53 - QD2 LEU 100 far 0 81 0 - 6.4-9.0 HB2 PRO 58 - QD2 LEU 62 far 0 99 0 - 6.9-7.4 HB3 LYS 95 - QD2 LEU 100 far 0 83 0 - 8.8-9.9 HB2 LYS 95 - QD2 LEU 100 far 0 82 0 - 9.1-10.2 HB2 PRO 58 - QD2 LEU 100 far 0 80 0 - 9.4-10.0 HG2 PRO 113 - QD2 LEU 62 far 0 97 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 10945 from aliabs.peaks (2.25, 0.68, 23.19 ppm; 5.96 A): 2 out of 12 assignments used, quality = 0.74: HB3 GLN 104 + QD2 LEU 100 OK 53 58 100 92 4.3-4.6 11436/10974=58...(5) HB3 GLU 97 + QD2 LEU 100 OK 45 50 90 100 6.1-6.7 ~10036=75, ~10001=73...(26) HB2 GLN 68 - QD2 LEU 100 poor 17 47 35 - 6.3-7.9 HB3 LEU 96 - QD2 LEU 100 far 0 82 0 - 6.7-7.4 HG2 GLU 97 - QD2 LEU 100 far 0 82 0 - 6.7-7.6 HB3 GLU 102 - QD2 LEU 100 far 0 68 0 - 6.8-8.3 HB3 GLN 127 - QD2 LEU 62 far 0 76 0 - 7.8-9.2 HB3 PRO 113 - QD2 LEU 62 far 0 63 0 - 8.4-10.9 HB2 GLN 68 - QD2 LEU 62 far 0 65 0 - 8.7-10.6 HB3 GLN 104 - QD2 LEU 62 far 0 78 0 - 8.8-9.2 HB VAL 105 - QD2 LEU 100 far 0 62 0 - 9.1-9.5 HB3 GLN 127 - QD2 LEU 100 far 0 56 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 10946 from aliabs.peaks (2.43, 0.68, 23.19 ppm; 6.41 A): 2 out of 5 assignments used, quality = 0.92: HG2 GLU 55 + QD2 LEU 62 OK 80 92 95 92 4.5-7.3 10909/9230=77...(3) HG3 GLN 61 + QD2 LEU 62 OK 59 65 100 90 2.8-4.1 10936/9319=48...(5) HG2 GLN 101 - QD2 LEU 100 far 12 80 15 - 5.8-7.6 HG3 GLN 61 - QD2 LEU 100 far 0 47 0 - 7.0-8.1 HB3 PRO 58 - QD2 LEU 62 far 0 71 0 - 7.5-7.9 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 1 assignment used, quality = 0.97: HB2 ASN 59 + QD1 LEU 62 OK 97 97 100 100 4.4-4.9 3.0/9388=88, 4.0/9385=53...(27) Violated in 0 structures by 0.00 A. Peak 10948 from aliabs.peaks (2.85, 0.91, 26.02 ppm; 5.73 A increased from 5.09 A): 2 out of 2 assignments used, quality = 0.89: HB3 ASN 59 + QD1 LEU 62 OK 83 83 100 100 4.6-5.8 3.0/9388=97...(27) HB2 ASN 116 + QD1 LEU 62 OK 38 100 95 40 5.7-6.5 10225/3787=17...(5) Violated in 0 structures by 0.00 A. Peak 10949 from aliabs.peaks (1.49, 3.83, 57.95 ppm; 4.95 A): 2 out of 6 assignments used, quality = 0.99: QB ALA 52 + HA LEU 62 OK 98 99 100 99 3.3-3.7 10996/1998=91...(8) HB2 LEU 49 + HA LEU 123 OK 37 54 100 67 3.5-4.8 6618/6624=25...(9) QB ALA 52 - HA LEU 123 far 0 57 0 - 6.0-7.2 HB2 LEU 49 - HA LEU 62 far 0 97 0 - 6.3-7.0 HG LEU 69 - HA LEU 123 far 0 28 0 - 6.9-7.6 HG LEU 69 - HA LEU 62 far 0 60 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 10950 from aliabs.peaks (1.57, 3.83, 57.95 ppm; 4.78 A): 2 out of 8 assignments used, quality = 0.98: HG LEU 49 + HA LEU 62 OK 94 100 100 94 4.0-4.6 2.1/10994=62...(7) HG LEU 123 + HA LEU 123 OK 58 58 100 100 3.6-3.7 3.7=100 HG LEU 49 - HA LEU 123 far 0 59 0 - 5.7-6.6 HG LEU 103 - HA LEU 62 far 0 96 0 - 6.6-7.7 HB2 LEU 119 - HA LEU 62 far 0 68 0 - 6.8-7.2 HB2 LEU 119 - HA LEU 123 far 0 33 0 - 6.8-7.7 HB2 LEU 103 - HA LEU 62 far 0 99 0 - 7.9-8.7 HB2 LEU 103 - HA LEU 123 far 0 57 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 10951 from aliabs.peaks (1.53, 2.06, 42.10 ppm; 5.47 A increased from 4.86 A): 1 out of 3 assignments used, quality = 0.90: HB2 LEU 119 + HB2 LEU 62 OK 90 90 100 100 5.0-5.4 ~10954=48, ~11001=47...(29) HB2 LEU 53 - HB2 LEU 62 far 10 99 10 - 6.0-8.5 HG LEU 69 - HB2 LEU 62 far 0 93 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 10952 from aliabs.peaks (4.30, 3.83, 57.95 ppm; 6.80 A): 1 out of 2 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 110 - HA LEU 62 far 0 92 0 - 9.9-12.1 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 3.5-3.9 9388/2.1=100...(21) Violated in 0 structures by 0.00 A. Peak 10954 from aliabs.peaks (4.02, 0.91, 26.02 ppm; 4.50 A): 1 out of 7 assignments used, quality = 0.89: HA LEU 119 + QD1 LEU 62 OK 89 100 100 89 2.1-3.2 3.7/2009=29, ~10951=27...(14) HA SER 50 - QD1 LEU 62 far 0 71 0 - 6.1-6.8 HA SER 60 - QD1 LEU 62 far 0 96 0 - 6.2-6.8 HA LEU 122 - QD1 LEU 62 far 0 87 0 - 6.4-8.0 HA LEU 103 - QD1 LEU 62 far 0 99 0 - 6.4-7.2 HB3 SER 99 - QD1 LEU 62 far 0 73 0 - 6.5-8.3 HB3 SER 124 - QD1 LEU 62 far 0 98 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 10955 from aliabs.peaks (4.21, 0.91, 26.02 ppm; 4.52 A): 0 out of 3 assignments used, quality = 0.00: HA SER 51 - QD1 LEU 62 far 0 99 0 - 7.7-8.2 HA SER 99 - QD1 LEU 62 far 0 95 0 - 8.4-9.8 HA HIS 67 - QD1 LEU 62 far 0 100 0 - 9.9-10.4 Violated in 20 structures by 2.75 A. Peak 10956 from aliabs.peaks (8.29, 1.64, 26.16 ppm; 5.42 A): 0 out of 3 assignments used, quality = 0.00: H LEU 123 - HG LEU 62 far 0 73 0 - 7.5-9.0 H LEU 49 - HG LEU 62 far 0 98 0 - 8.3-8.8 H ALA 110 - HG LEU 62 far 0 73 0 - 8.4-11.4 Violated in 20 structures by 1.87 A. Peak 10957 from aliabs.peaks (8.48, 1.64, 26.16 ppm; 5.18 A): 0 out of 0 assignments used, quality = 0.00: 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 4.1-4.7 2.1/9386=97, 3.2/9398=56...(25) Violated in 1 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 3.4-3.8 3.0/11440=55...(25) HB3 GLN 104 + QG2 VAL 63 OK 63 63 100 100 1.9-2.5 3.0/11440=55...(28) HG2 GLN 68 + QD1 LEU 49 OK 23 42 95 57 3.0-4.5 9479/10966=25...(7) HB2 GLN 68 - QD1 LEU 49 far 0 37 0 - 4.6-5.8 HB3 GLN 68 - QD1 LEU 49 far 0 49 0 - 5.5-6.3 HB3 GLN 127 - QD1 LEU 49 far 0 31 0 - 6.2-7.4 HB2 GLN 101 - QG2 VAL 63 far 0 97 0 - 7.5-8.1 HB3 GLU 97 - QD1 LEU 49 far 0 36 0 - 8.4-10.1 HG2 GLN 68 - QG2 VAL 63 far 0 83 0 - 8.7-10.7 HB2 GLN 68 - QG2 VAL 63 far 0 76 0 - 8.8-10.7 HB3 GLU 97 - QG2 VAL 63 far 0 73 0 - 9.2-10.0 HB VAL 133 - QD1 LEU 49 far 0 57 0 - 9.4-10.3 HB3 GLN 68 - QG2 VAL 63 far 0 92 0 - 9.4-10.6 HB3 GLN 104 - QD1 LEU 49 far 0 30 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 10960 from aliabs.peaks (2.37, 0.91, 22.96 ppm; 3.87 A): 1 out of 4 assignments used, quality = 0.99: HG2 GLN 104 + QG2 VAL 63 OK 99 99 100 100 2.8-4.0 11440=98, 11522/2.1=75...(25) HG3 GLU 97 - QD1 LEU 49 far 0 30 0 - 9.2-10.0 HG3 GLU 55 - QD1 LEU 49 far 0 58 0 - 9.4-12.1 HG2 GLN 104 - QD1 LEU 49 far 0 56 0 - 9.5-11.5 Violated in 1 structures by 0.00 A. Peak 10961 from aliabs.peaks (2.47, 0.91, 22.96 ppm; 4.67 A increased from 3.94 A): 1 out of 4 assignments used, quality = 1.00: HG3 GLN 104 + QG2 VAL 63 OK 100 100 100 100 3.8-4.7 1.8/11440=95, 11442=95...(22) HG3 GLN 127 - QD1 LEU 49 far 0 56 0 - 6.3-8.2 HG3 GLU 44 - QD1 LEU 49 far 0 52 0 - 8.6-9.3 HG2 GLU 55 - QD1 LEU 49 far 0 36 0 - 9.0-11.1 Violated in 0 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 3.0-3.3 3.0/11522=63...(27) HB3 GLN 104 + QG1 VAL 63 OK 83 83 100 100 1.7-1.9 3.0/11522=63...(30) HB2 GLN 101 - QG1 VAL 63 far 0 100 0 - 6.3-7.2 HB2 GLN 68 - QG1 VAL 63 far 0 92 0 - 7.0-8.8 HG2 GLN 68 - QG1 VAL 63 far 0 96 0 - 7.2-9.2 HB3 GLU 102 - QG1 VAL 63 far 0 71 0 - 7.4-9.0 HB3 GLN 68 - QG1 VAL 63 far 0 76 0 - 7.6-8.9 HB3 GLU 97 - QG1 VAL 63 far 0 90 0 - 7.8-8.4 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 6 assignments used, quality = 1.00: HB3 LEU 103 + QG1 VAL 63 OK 100 100 100 100 3.2-4.2 3.0/10965=55...(32) HG LEU 100 + QG1 VAL 63 OK 59 78 75 100 4.3-5.3 2.1/10974=89...(18) HB2 LEU 100 + QG1 VAL 63 OK 39 65 60 100 4.7-5.3 1.8/10964=82...(22) HB3 LEU 122 - QG1 VAL 63 far 0 100 0 - 7.2-8.0 HB3 LEU 98 - QG1 VAL 63 far 0 96 0 - 9.5-10.6 HB2 LEU 48 - QG1 VAL 63 far 0 90 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 10964 from aliabs.peaks (1.37, 0.78, 21.57 ppm; 4.12 A): 1 out of 6 assignments used, quality = 0.99: HB3 LEU 100 + QG1 VAL 63 OK 99 99 100 100 3.2-3.9 3.2/10974=68...(25) QB ALA 108 - QG1 VAL 63 far 0 96 0 - 7.6-8.5 QB ALA 109 - QG1 VAL 63 far 0 83 0 - 7.9-8.8 QB ALA 110 - QG1 VAL 63 far 0 92 0 - 8.5-10.4 QB ALA 15 - QG1 VAL 63 far 0 93 0 - 8.7-29.2 HB2 LEU 96 - QG1 VAL 63 far 0 95 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 10965 from aliabs.peaks (1.53, 0.78, 21.57 ppm; 4.73 A): 1 out of 3 assignments used, quality = 0.68: HG LEU 103 + QG1 VAL 63 OK 68 68 100 99 3.6-4.9 3.0/10972=51, ~11832=47...(19) HB2 LEU 119 - QG1 VAL 63 far 0 96 0 - 8.7-9.7 HG LEU 69 - QG1 VAL 63 far 0 87 0 - 9.3-9.7 Violated in 2 structures by 0.01 A. Peak 10966 from aliabs.peaks (1.21, 0.91, 22.96 ppm; 3.65 A): 1 out of 2 assignments used, quality = 0.46: QG2 THR 65 + QD1 LEU 49 OK 46 46 100 100 1.7-1.8 2.1/9421=62, 9431/2.1=61...(29) QG2 THR 65 - QG2 VAL 63 far 0 89 0 - 6.9-7.0 Violated in 0 structures by 0.00 A. Peak 10967 from aliabs.peaks (2.61, 0.91, 22.96 ppm; 4.44 A): 1 out of 2 assignments used, quality = 0.97: HB2 ASN 59 + QG2 VAL 63 OK 97 100 100 97 3.5-4.2 1.8/10968=58, 9354=44...(13) HB2 ASP 71 - QD1 LEU 49 far 0 58 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 10968 from aliabs.peaks (2.85, 0.91, 22.96 ppm; 5.24 A increased from 4.93 A): 1 out of 3 assignments used, quality = 0.83: HB3 ASN 59 + QG2 VAL 63 OK 83 83 100 100 4.3-5.1 1.8/10967=95...(12) HB3 ASP 47 - QD1 LEU 49 poor 8 42 20 - 5.7-6.5 HB2 ASN 116 - QG2 VAL 63 far 0 100 0 - 7.2-8.0 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 4 assignments used, quality = 1.00: HB3 ASP 64 + QG1 VAL 63 OK 100 100 100 100 4.1-5.1 10988=96, 3.0/10980=83...(16) HB3 ASP 71 - QG1 VAL 63 far 0 99 0 - 8.9-10.2 HB2 ASN 121 - QG1 VAL 63 far 0 100 0 - 9.1-10.5 HB2 ASN 13 - QG1 VAL 63 far 0 87 0 - 9.1-32.9 Violated in 3 structures by 0.01 A. Peak 10971 from aliabs.peaks (1.39, 0.91, 22.96 ppm; 5.06 A increased from 4.05 A): 1 out of 11 assignments used, quality = 0.89: HB3 LEU 100 + QG2 VAL 63 OK 89 89 100 100 4.3-5.2 9398/2034=64, ~10974=59...(27) HB2 LEU 96 - QD1 LEU 49 lone 2 54 40 9 5.5-6.0 3072/2.1=4, ~3060=2, ~1552=1 HG LEU 96 - QD1 LEU 49 far 0 56 0 - 5.7-6.5 QB ALA 109 - QG2 VAL 63 far 0 100 0 - 5.9-6.8 QB ALA 108 - QG2 VAL 63 far 0 97 0 - 6.3-7.2 QB ALA 110 - QG2 VAL 63 far 0 99 0 - 7.0-8.7 HB3 LEU 100 - QD1 LEU 49 far 0 46 0 - 7.5-8.5 HB2 LEU 42 - QD1 LEU 49 far 0 46 0 - 8.3-8.9 QB ALA 15 - QD1 LEU 49 far 0 55 0 - 8.3-31.2 HG LEU 96 - QG2 VAL 63 far 0 99 0 - 8.6-9.5 HB2 LEU 96 - QG2 VAL 63 far 0 97 0 - 9.2-9.9 Violated in 1 structures by 0.01 A. Peak 10972 from aliabs.peaks (1.61, 0.78, 21.57 ppm; 5.56 A increased from 4.68 A): 1 out of 5 assignments used, quality = 0.60: HB2 LEU 103 + QG1 VAL 63 OK 60 60 100 100 4.8-5.6 3.0/10965=83...(29) HG LEU 122 - QG1 VAL 63 poor 20 100 20 - 5.6-7.7 HG LEU 70 - QG1 VAL 63 far 0 100 0 - 6.7-7.2 HB2 LEU 122 - QG1 VAL 63 far 0 100 0 - 7.1-7.8 HG LEU 119 - QG1 VAL 63 far 0 92 0 - 7.7-8.7 Violated in 2 structures by 0.00 A. Peak 10973 from aliabs.peaks (0.61, 0.78, 21.57 ppm; 4.31 A increased from 3.83 A): 1 out of 1 assignment used, quality = 0.92: QD1 LEU 100 + QG1 VAL 63 OK 92 92 100 100 3.9-4.2 2.1/10974=89...(22) Violated in 0 structures by 0.00 A. Peak 10974 from aliabs.peaks (0.68, 0.78, 21.57 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 100 + QG1 VAL 63 OK 100 100 100 100 2.0-2.8 11387=60, 9386/3.2=53...(28) QD2 LEU 62 - QG1 VAL 63 far 0 99 0 - 6.5-6.7 Violated in 0 structures by 0.00 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 96 100 100 96 5.1-5.4 2.9/2019=62, 3.6/6860=42...(12) HA3 GLY 66 + HA VAL 63 OK 96 97 100 98 3.6-3.9 2.9/2019=62...(13) HD2 PRO 58 - HA VAL 63 far 0 100 0 - 10.0-10.3 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 4.7-4.8 4.9=100 HA LEU 123 - HA VAL 63 far 0 97 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 10977 from aliabs.peaks (4.00, 3.36, 66.55 ppm; 5.37 A increased from 5.05 A): 1 out of 7 assignments used, quality = 0.97: HA SER 60 + HA VAL 63 OK 97 97 100 100 5.2-5.5 1902/3.0=85...(11) HA THR 65 - HA VAL 63 far 0 63 0 - 6.3-6.5 HA LEU 103 - HA VAL 63 far 0 90 0 - 6.8-7.4 HA LEU 119 - HA VAL 63 far 0 65 0 - 7.0-7.4 HB3 SER 99 - HA VAL 63 far 0 100 0 - 7.0-9.2 HA GLN 68 - HA VAL 63 far 0 100 0 - 9.1-9.5 HB3 SER 106 - HA VAL 63 far 0 85 0 - 9.8-12.5 Violated in 3 structures by 0.01 A. Peak 10978 from aliabs.peaks (4.00, 0.78, 21.57 ppm; 4.30 A increased from 3.82 A): 1 out of 6 assignments used, quality = 0.97: HA SER 60 + QG1 VAL 63 OK 97 99 100 98 4.0-4.3 2020/2.1=79...(12) HA LEU 103 - QG1 VAL 63 far 0 95 0 - 5.5-6.4 HB3 SER 99 - QG1 VAL 63 far 0 100 0 - 6.9-8.6 HA LEU 119 - QG1 VAL 63 far 0 73 0 - 7.5-8.3 HA GLN 68 - QG1 VAL 63 far 0 100 0 - 7.7-8.1 HB3 SER 106 - QG1 VAL 63 far 0 78 0 - 8.0-10.1 Violated in 0 structures by 0.00 A. Peak 10979 from aliabs.peaks (4.08, 0.78, 21.57 ppm; 4.12 A): 2 out of 6 assignments used, quality = 1.00: HA GLN 104 + QG1 VAL 63 OK 99 99 100 100 3.1-3.8 11433=84, 3416/11522=59...(19) HA GLN 101 + QG1 VAL 63 OK 42 73 65 88 4.4-5.3 3451/11443=26...(16) HB THR 65 - QG1 VAL 63 far 0 87 0 - 6.2-6.4 HA LEU 98 - QG1 VAL 63 far 0 73 0 - 8.2-9.2 HA LEU 49 - QG1 VAL 63 far 0 71 0 - 8.5-9.0 HA LEU 96 - QG1 VAL 63 far 0 60 0 - 8.6-9.3 Violated in 0 structures by 0.00 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 3.0-3.7 9411=93, 2.9/6825=64...(23) HA SER 106 - QG1 VAL 63 far 0 100 0 - 8.4-9.4 HA PRO 58 - QG1 VAL 63 far 0 100 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 10981 from aliabs.peaks (4.46, 0.91, 22.96 ppm; 5.38 A increased from 4.78 A): 1 out of 5 assignments used, quality = 0.99: HA ASP 64 + QG2 VAL 63 OK 99 99 100 100 5.3-5.3 10980/2.1=97...(19) HA ASP 64 - QD1 LEU 49 far 0 56 0 - 6.8-7.8 HA PRO 58 - QG2 VAL 63 far 0 100 0 - 6.9-7.3 HA SER 106 - QG2 VAL 63 far 0 100 0 - 7.0-8.2 HA ASN 121 - QD1 LEU 49 far 0 30 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 10982 from aliabs.peaks (7.17, 0.91, 22.96 ppm; 6.04 A increased from 4.83 A): 1 out of 2 assignments used, quality = 1.00: HD2 HIS 67 + QG2 VAL 63 OK 100 100 100 100 5.7-6.1 9470/2.1=99...(4) HD2 HIS 67 - QD1 LEU 49 far 0 57 0 - 6.8-7.9 Violated in 1 structures by 0.00 A. Peak 10983 from aliabs.peaks (7.17, 3.36, 66.55 ppm; 6.25 A): 1 out of 1 assignment used, quality = 1.00: HD2 HIS 67 + HA VAL 63 OK 100 100 100 100 5.0-5.5 9470/3.2=98...(9) Violated in 0 structures by 0.00 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; 6.32 A increased from 5.32 A): 1 out of 1 assignment used, quality = 0.93: HD2 HIS 67 + HA ASP 64 OK 93 93 100 100 5.8-6.1 4.0/2046=89, 4.0/2102=87...(6) Violated in 0 structures by 0.00 A. Peak 10986 from aliabs.peaks (2.10, 2.80, 40.01 ppm; 4.47 A): 0 out of 3 assignments used, quality = 0.00: HB2 GLN 61 - HB3 ASP 64 far 5 100 5 - 5.0-6.1 HB3 GLN 61 - HB3 ASP 64 far 0 100 0 - 5.7-6.7 HB VAL 57 - HB3 ASP 64 far 0 99 0 - 7.9-9.3 Violated in 20 structures by 0.90 A. Peak 10987 from aliabs.peaks (0.91, 2.80, 40.01 ppm; 5.49 A increased from 5.17 A): 1 out of 6 assignments used, quality = 1.00: QG2 VAL 63 + HB3 ASP 64 OK 100 100 100 100 5.3-5.7 2.1/10969=87...(15) QD1 LEU 48 - HB3 ASP 64 far 0 100 0 - 6.5-8.1 QD2 LEU 48 - HB3 ASP 64 far 0 93 0 - 6.9-10.0 QD1 LEU 49 - HB3 ASP 64 far 0 100 0 - 7.1-8.7 QD1 LEU 62 - HB3 ASP 64 far 0 100 0 - 7.9-8.8 QG1 VAL 118 - HB3 ASP 64 far 0 90 0 - 9.9-10.7 Violated in 2 structures by 0.01 A. Peak 10988 from aliabs.peaks (0.79, 2.80, 40.01 ppm; 5.08 A): 1 out of 8 assignments used, quality = 0.99: QG1 VAL 63 + HB3 ASP 64 OK 99 99 100 100 4.1-5.1 10969=98, 10980/3.0=82...(16) QD2 LEU 49 - HB3 ASP 64 far 0 99 0 - 6.9-7.9 QD1 LEU 122 - HB3 ASP 64 far 0 90 0 - 7.5-10.7 QD1 LEU 103 - HB3 ASP 64 far 0 98 0 - 8.4-9.5 QD2 LEU 122 - HB3 ASP 64 far 0 100 0 - 8.6-10.8 QD1 LEU 96 - HB3 ASP 64 far 0 89 0 - 9.1-9.8 QD2 LEU 119 - HB3 ASP 64 far 0 100 0 - 9.2-9.9 QD1 LEU 53 - HB3 ASP 64 far 0 100 0 - 9.4-10.7 Violated in 2 structures by 0.00 A. Peak 10989 from aliabs.peaks (1.66, 4.06, 67.71 ppm; 6.24 A): 1 out of 3 assignments used, quality = 0.94: HG LEU 62 + HB THR 65 OK 94 95 100 100 6.0-6.4 3.7/1970=88, ~9432=84...(5) HB2 LEU 69 - HB THR 65 far 0 99 0 - 7.2-8.0 HB2 LEU 123 - HB THR 65 far 0 98 0 - 9.1-10.7 Violated in 4 structures by 0.01 A. Peak 10990 from aliabs.peaks (2.29, 1.23, 22.77 ppm; 4.70 A increased from 4.42 A): 1 out of 3 assignments used, quality = 0.63: HG3 GLN 68 + QG2 THR 65 OK 63 63 100 100 3.5-4.6 1.8/9479=71...(22) HG2 GLN 61 - QG2 THR 65 far 5 98 5 - 5.0-6.6 HG2 GLU 44 - QG2 THR 65 far 0 71 0 - 7.3-9.5 Violated in 0 structures by 0.00 A. Peak 10991 from aliabs.peaks (1.77, 1.23, 22.77 ppm; 4.07 A): 1 out of 5 assignments used, quality = 0.99: HB2 LEU 48 + QG2 THR 65 OK 99 99 100 100 1.9-2.5 3.0/9441=60...(18) HB3 LEU 122 - QG2 THR 65 far 0 87 0 - 6.5-8.4 HG LEU 100 - QG2 THR 65 far 0 100 0 - 7.1-7.5 HG13 ILE 129 - QG2 THR 65 far 0 63 0 - 7.7-10.8 HB3 LEU 103 - QG2 THR 65 far 0 81 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 10992 from aliabs.peaks (1.58, 1.23, 22.77 ppm; 3.97 A): 1 out of 5 assignments used, quality = 1.00: HG LEU 49 + QG2 THR 65 OK 100 100 100 100 1.8-1.9 2.1/9431=82...(27) HG LEU 122 - QG2 THR 65 far 0 63 0 - 6.2-8.2 HG LEU 103 - QG2 THR 65 far 0 89 0 - 9.1-10.1 HG LEU 123 - QG2 THR 65 far 0 97 0 - 9.3-10.0 HB2 LEU 103 - QG2 THR 65 far 0 100 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 10993 from aliabs.peaks (3.84, 1.23, 22.77 ppm; 4.67 A increased from 4.15 A): 1 out of 4 assignments used, quality = 0.98: HA LEU 62 + QG2 THR 65 OK 98 98 100 100 4.3-4.5 10997=79, 1970/2.1=74...(8) HB2 SER 50 - QG2 THR 65 far 0 83 0 - 6.2-7.8 HA LEU 123 - QG2 THR 65 far 0 99 0 - 6.4-7.2 HB2 SER 130 - QG2 THR 65 far 0 71 0 - 8.1-10.2 Violated in 0 structures by 0.00 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 94 96 100 99 3.5-3.9 4.9/2074=62, ~6853=50...(16) HA3 GLY 66 + QG2 THR 65 OK 87 89 100 98 4.5-4.9 4.9/2074=62, ~6853=50...(13) HD2 PRO 58 - QG2 THR 65 far 0 100 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 10995 from aliabs.peaks (8.46, 1.23, 22.77 ppm; 5.69 A increased from 5.35 A): 1 out of 3 assignments used, quality = 0.99: H ASP 47 + QG2 THR 65 OK 99 100 100 99 5.3-5.6 6579/9199=74...(11) H LEU 70 - QG2 THR 65 far 0 100 0 - 6.4-6.6 H LEU 100 - QG2 THR 65 far 0 68 0 - 9.3-9.9 Violated in 0 structures by 0.00 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 4.5-4.9 3.2/11703=92...(14) Violated in 0 structures by 0.00 A. Peak 10997 from aliabs.peaks (2.15, 3.63, 47.54 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: HB3 LEU 69 + HA3 GLY 66 OK 100 100 100 100 4.2-4.5 ~11058=73, ~11053=67...(18) HB3 LEU 69 + HA2 GLY 66 OK 98 98 100 100 2.7-2.9 3.2/11058=89...(18) HB3 GLN 68 + HA2 GLY 66 OK 51 60 100 86 6.5-7.2 2066/4.9=51, 3.7/6879=35...(4) HB2 GLU 97 - HA2 GLY 66 far 12 82 15 - 7.2-9.6 HB2 GLU 97 - HA3 GLY 66 lone 7 85 55 15 6.9-9.1 11695/9991=13 HB3 GLN 68 - HA3 GLY 66 far 3 63 5 - 7.2-8.1 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 5 assignments used, quality = 1.00: HA VAL 63 + HA3 GLY 66 OK 100 100 100 100 3.6-3.9 2019/2.9=75...(13) HA VAL 63 + HA2 GLY 66 OK 98 98 100 99 5.1-5.4 2019/2.9=75, 6860/3.6=48...(12) HB2 HIS 67 + HA3 GLY 66 OK 22 73 40 76 4.9-6.1 ~11035=43, 4.4/6879=21...(8) HB2 HIS 67 + HA2 GLY 66 OK 21 70 40 74 5.5-6.5 ~11035=43, 4.4/6879=21...(7) HB3 TYR 72 - HA2 GLY 66 far 0 65 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 10999 from aliabs.peaks (2.07, 3.63, 47.54 ppm; 6.80 A increased from 6.06 A): 1 out of 3 assignments used, quality = 0.84: HB2 LEU 62 + HA3 GLY 66 OK 84 95 100 89 5.7-6.6 ~6847=68, 11826/11842=50...(5) HB2 LEU 62 - HA2 GLY 66 poor 18 97 25 75 6.5-7.7 ~6847=68, 1977/10024=18 HB VAL 118 - HA3 GLY 66 far 0 99 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 11000 from aliabs.peaks (1.21, 3.63, 47.54 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: QG2 THR 65 + HA2 GLY 66 OK 96 96 100 100 3.5-3.9 2074/4.9=90, ~6853=86...(16) QG2 THR 65 + HA3 GLY 66 OK 93 93 100 100 4.5-4.9 2074/4.9=90, ~6853=86...(13) Violated in 0 structures by 0.00 A. Peak 11001 from aliabs.peaks (3.97, 3.63, 47.54 ppm; 5.49 A): 3 out of 10 assignments used, quality = 1.00: HA THR 65 + HA2 GLY 66 OK 100 100 100 100 4.8-4.9 4.9=100 HA THR 65 + HA3 GLY 66 OK 99 99 100 100 5.3-5.4 4.9=100 HA LEU 100 + HA3 GLY 66 OK 82 98 100 84 5.0-5.2 3258/10024=48...(9) HA LEU 100 - HA2 GLY 66 far 0 99 0 - 6.6-6.8 HB3 SER 99 - HA3 GLY 66 far 0 63 0 - 6.7-8.8 HB3 SER 99 - HA2 GLY 66 far 0 65 0 - 7.8-9.8 HA SER 50 - HA2 GLY 66 far 0 68 0 - 8.6-9.1 HA GLN 127 - HA2 GLY 66 far 0 100 0 - 9.2-9.9 HB3 SER 107 - HA3 GLY 66 far 0 94 0 - 9.4-11.5 HA SER 50 - HA3 GLY 66 far 0 65 0 - 9.4-9.9 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 7 assignments used, quality = 1.00: HB THR 65 + HA2 GLY 66 OK 100 100 100 100 4.0-4.2 6853/2.9=93...(12) HB THR 65 + HA3 GLY 66 OK 99 99 100 100 4.3-4.5 6853/2.9=93...(12) HA LEU 122 - HA3 GLY 66 poor 13 70 40 45 5.8-7.0 3100/11808=14...(6) HA LEU 122 - HA2 GLY 66 poor 12 73 40 42 5.9-7.2 3100/11808=15...(6) HA LEU 96 - HA3 GLY 66 far 0 95 0 - 6.5-7.2 HA LEU 96 - HA2 GLY 66 far 0 97 0 - 6.7-7.3 HA GLN 104 - HA3 GLY 66 far 0 68 0 - 8.7-9.5 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 100 100 100 100 1.9-2.7 11037/3.6=54...(24) QD1 LEU 100 + HA2 GLY 66 OK 98 98 100 100 2.7-3.2 11037/3.6=54...(20) Violated in 0 structures by 0.00 A. Peak 11004 from aliabs.peaks (0.90, 3.63, 47.54 ppm; 4.23 A): 3 out of 18 assignments used, quality = 0.99: QD1 LEU 49 + HA3 GLY 66 OK 88 89 100 99 3.4-4.4 9433/2.9=67, 2.1/9208=41...(15) QD1 LEU 49 + HA2 GLY 66 OK 85 86 100 99 1.9-3.0 9433/2.9=67, 2.1/9208=41...(18) QD2 LEU 69 + HA2 GLY 66 OK 54 57 100 94 3.3-3.9 2.1/11058=42, 11053=31...(25) QD2 LEU 69 - HA3 GLY 66 far 3 60 5 - 4.8-5.3 QG2 VAL 63 - HA3 GLY 66 far 0 92 0 - 5.3-5.6 QG1 VAL 118 - HA3 GLY 66 far 0 100 0 - 6.1-6.8 QD1 LEU 62 - HA3 GLY 66 far 0 87 0 - 6.5-7.0 QD1 LEU 48 - HA2 GLY 66 far 0 91 0 - 6.5-7.3 QG2 VAL 63 - HA2 GLY 66 far 0 89 0 - 6.7-6.9 QD1 LEU 62 - HA2 GLY 66 far 0 84 0 - 7.0-7.6 QG1 VAL 118 - HA2 GLY 66 far 0 99 0 - 7.2-7.9 QD1 LEU 48 - HA3 GLY 66 far 0 93 0 - 7.5-8.3 QD2 LEU 48 - HA2 GLY 66 far 0 99 0 - 7.8-8.7 QD2 LEU 48 - HA3 GLY 66 far 0 100 0 - 8.6-9.7 QD2 LEU 123 - HA2 GLY 66 far 0 92 0 - 9.0-9.8 QD2 LEU 98 - HA3 GLY 66 far 0 95 0 - 9.1-11.2 QD2 LEU 123 - HA3 GLY 66 far 0 95 0 - 9.1-10.0 QD2 LEU 98 - HA2 GLY 66 far 0 92 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 11008 from aliabs.peaks (8.28, 3.63, 47.54 ppm; 5.73 A): 3 out of 12 assignments used, quality = 0.99: H LEU 69 + HA3 GLY 66 OK 88 89 100 99 4.7-4.9 11034/4.9=63...(17) H LEU 69 + HA2 GLY 66 OK 86 86 100 100 3.5-3.7 11034/4.9=63...(19) H LEU 49 + HA2 GLY 66 OK 69 82 100 84 5.5-6.0 5.0/9208=37, 4.7/9210=31...(8) H VAL 126 - HA2 GLY 66 far 0 99 0 - 6.5-7.0 H LEU 49 - HA3 GLY 66 far 0 85 0 - 6.8-7.2 H VAL 126 - HA3 GLY 66 far 0 100 0 - 7.2-7.7 H LEU 123 - HA3 GLY 66 far 0 93 0 - 7.3-8.0 H LEU 123 - HA2 GLY 66 far 0 91 0 - 7.3-7.9 H SER 99 - HA3 GLY 66 far 0 97 0 - 7.7-8.5 H LEU 96 - HA2 GLY 66 far 0 98 0 - 8.3-8.7 H LEU 96 - HA3 GLY 66 far 0 99 0 - 8.5-8.8 H SER 99 - HA2 GLY 66 far 0 95 0 - 8.6-9.4 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 7 assignments used, quality = 1.00: H LEU 70 + HA3 GLY 66 OK 91 92 100 99 5.3-5.6 11100/3.6=64...(11) H LEU 70 + HA2 GLY 66 OK 89 89 100 99 4.6-4.9 11100/3.6=64...(12) H LEU 100 + HA3 GLY 66 OK 76 99 95 81 5.7-6.2 3257/10024=45...(7) H LEU 100 - HA2 GLY 66 far 0 97 0 - 7.0-7.4 H GLU 97 - HA3 GLY 66 far 0 89 0 - 7.3-7.9 H GLU 97 - HA2 GLY 66 far 0 86 0 - 7.5-8.1 H ASP 47 - HA2 GLY 66 far 0 75 0 - 8.6-9.0 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 2.3-2.3 2.9=100 H GLY 66 + HA2 GLY 66 OK 68 68 100 100 2.8-2.8 2.9=100 H CYS 73 - HA2 GLY 66 far 0 65 0 - 8.3-8.5 H CYS 73 - HA3 GLY 66 far 0 68 0 - 9.4-9.6 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 4.3-4.4 4.9=100 HA2 GLY 66 + HA HIS 67 OK 98 98 100 100 4.8-4.8 4.9=100 Violated in 0 structures by 0.00 A. Peak 11012 from aliabs.peaks (3.87, 4.21, 58.74 ppm; 5.76 A increased from 5.42 A): 1 out of 5 assignments used, quality = 0.96: HA LEU 70 + HA HIS 67 OK 96 96 100 100 5.4-5.5 2.9/6936=93...(12) HB3 SER 50 - HA GLU 128 far 0 42 0 - 7.6-9.7 HA LEU 123 - HA GLU 128 far 0 35 0 - 8.3-8.9 HA ALA 46 - HA GLU 128 far 0 29 0 - 8.6-9.6 HA ALA 46 - HA HIS 67 far 0 76 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 11013 from aliabs.peaks (2.20, 4.21, 58.74 ppm; 5.91 A increased from 4.98 A): 4 out of 10 assignments used, quality = 0.97: HG2 GLN 68 + HA HIS 67 OK 80 85 95 99 5.3-7.0 2150/3.6=72...(10) HB2 GLN 68 + HA HIS 67 OK 73 78 95 99 5.6-6.6 4.4/6916=75, 6887/3.6=38...(12) HB3 GLU 97 + HA HIS 67 OK 26 76 45 75 5.6-7.0 10030/10037=49...(6) HB3 GLN 127 + HA GLU 128 OK 25 25 100 100 5.0-5.7 ~4048=76, 4058/2.9=53...(31) HB3 GLN 68 - HA HIS 67 far 5 90 5 - 5.8-6.6 HB3 GLN 104 - HA HIS 67 far 0 65 0 - 7.6-8.6 HB VAL 133 - HA GLU 128 far 0 44 0 - 7.7-8.9 HB2 GLN 101 - HA HIS 67 far 0 98 0 - 8.2-9.8 HG2 GLU 91 - HA GLU 128 far 0 39 0 - 8.5-11.8 HB2 GLN 104 - HA HIS 67 far 0 99 0 - 8.9-9.8 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 3.0-3.9 2.1/10037=86...(14) QD1 LEU 43 - HA GLU 128 far 0 40 0 - 7.9-9.6 QD2 LEU 62 - HA HIS 67 far 0 93 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 11015 from aliabs.peaks (1.41, 4.00, 58.83 ppm; 5.55 A): 0 out of 4 assignments used, quality = 0.00: QB ALA 15 - HA GLN 68 far 0 65 0 - 6.4-31.5 HG LEU 96 - HA GLN 68 far 0 97 0 - 8.9-9.5 HG2 LYS 36 - HA GLN 68 far 0 63 0 - 9.6-12.5 QB ALA 92 - HA ARG 135 far 0 54 0 - 9.8-11.4 Violated in 20 structures by 2.64 A. Peak 11016 from aliabs.peaks (1.22, 2.32, 33.81 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: QG2 THR 65 + HG3 GLN 68 OK 100 100 100 100 3.5-4.6 9479/1.8=68, 10990=44...(22) Violated in 1 structures by 0.00 A. Peak 11017 from aliabs.peaks (1.42, 2.22, 28.25 ppm; 5.06 A): 1 out of 5 assignments used, quality = 0.52: QB ALA 92 + HB3 GLU 128 OK 52 52 100 100 3.5-4.2 10444/1.8=96...(14) HG2 LYS 86 - HB2 GLN 82 far 0 83 0 - 6.6-9.1 HG3 LYS 19 - HB2 GLN 82 far 0 80 0 - 9.3-41.5 HG LEU 96 - HB3 GLU 102 far 0 28 0 - 9.4-12.3 HG LEU 96 - HB2 GLN 68 far 0 65 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 11018 from aliabs.peaks (1.43, 2.32, 33.81 ppm; 5.58 A): 0 out of 0 assignments used, quality = 0.00: Peak 11019 from aliabs.peaks (1.13, 2.22, 28.25 ppm; 4.84 A): 2 out of 6 assignments used, quality = 0.76: QG1 VAL 132 + HB2 GLN 82 OK 54 89 65 94 4.8-6.4 9801/9797=48...(10) QG2 VAL 132 + HB3 GLU 128 OK 48 48 100 100 4.0-4.9 11627/3.0=86...(13) QG1 VAL 132 - HB3 GLU 128 far 0 52 0 - 6.5-7.2 QG2 VAL 132 - HB2 GLN 82 far 0 84 0 - 7.3-8.9 QG2 THR 115 - HB3 GLU 102 far 0 53 0 - 8.7-11.3 HG2 LYS 39 - HB2 GLN 82 far 0 88 0 - 9.0-13.4 Violated in 0 structures by 0.00 A. Peak 11020 from aliabs.peaks (1.00, 2.22, 28.25 ppm; 5.51 A): 2 out of 4 assignments used, quality = 0.76: QG2 VAL 118 + HB3 GLU 102 OK 52 52 100 100 2.5-3.9 11545=99, 10266/3.0=96...(17) QG2 VAL 105 + HB3 GLU 102 OK 49 49 100 100 3.3-4.1 11508/3.0=96...(19) QD1 LEU 69 - HB2 GLN 68 far 5 97 5 - 5.8-6.5 QD1 LEU 69 - HB3 GLU 128 far 0 48 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 11021 from aliabs.peaks (0.86, 2.22, 28.25 ppm; 4.94 A): 1 out of 10 assignments used, quality = 0.97: QD2 LEU 69 + HB2 GLN 68 OK 97 99 100 97 4.3-4.7 4.9/2139=55, 2218/1.8=35...(13) QD1 LEU 98 - HB3 GLU 102 lone 4 53 45 16 5.0-7.0 10055/3316=6...(4) QD2 LEU 98 - HB3 GLU 102 far 0 35 0 - 6.1-8.4 QG1 VAL 133 - HB2 GLN 82 far 0 66 0 - 6.6-9.4 QD2 LEU 70 - HB2 GLN 68 far 0 100 0 - 6.8-7.3 QD2 LEU 123 - HB3 GLU 128 far 0 35 0 - 8.6-9.7 QD2 LEU 70 - HB3 GLU 102 far 0 53 0 - 8.6-11.1 QG1 VAL 133 - HB3 GLU 128 far 0 36 0 - 9.4-10.7 QD2 LEU 22 - HB2 GLN 82 far 0 70 0 - 9.7-28.0 QD2 LEU 69 - HB3 GLU 128 far 0 51 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 11022 from aliabs.peaks (1.66, 2.32, 33.81 ppm; 5.40 A increased from 4.80 A): 1 out of 2 assignments used, quality = 0.96: HB2 LEU 69 + HG3 GLN 68 OK 96 96 100 100 4.6-5.4 3.7/6922=73...(21) HD3 LYS 36 - HG3 GLN 68 far 0 100 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 11023 from aliabs.peaks (1.67, 2.21, 33.81 ppm; 5.75 A): 1 out of 2 assignments used, quality = 0.76: HB2 LEU 69 + HG2 GLN 68 OK 76 76 100 100 4.7-5.6 11022/1.8=83...(20) HD3 LYS 36 - HG2 GLN 68 far 0 96 0 - 8.6-12.5 Violated in 0 structures by 0.00 A. Peak 11024 from aliabs.peaks (2.81, 2.21, 33.81 ppm; 6.28 A increased from 5.02 A): 1 out of 3 assignments used, quality = 1.00: HB3 ASP 71 + HG2 GLN 68 OK 100 100 100 100 5.9-6.3 2129/3.7=96...(12) HB3 ASP 64 - HG2 GLN 68 far 0 100 0 - 7.7-10.0 HB3 ASP 47 - HG2 GLN 68 far 0 63 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 11025 from aliabs.peaks (2.82, 2.32, 33.81 ppm; 5.66 A increased from 4.76 A): 1 out of 3 assignments used, quality = 0.90: HB3 ASP 71 + HG3 GLN 68 OK 90 90 100 100 5.1-5.9 2129/2160=79...(10) HB3 ASP 47 - HG3 GLN 68 far 0 97 0 - 8.8-9.7 HB3 ASP 64 - HG3 GLN 68 far 0 81 0 - 8.9-10.0 Violated in 1 structures by 0.01 A. Peak 11026 from aliabs.peaks (2.81, 2.22, 28.25 ppm; 5.33 A): 2 out of 5 assignments used, quality = 0.99: HB3 ASP 71 + HB2 GLN 68 OK 95 100 95 100 4.4-6.0 11114/1.8=92...(15) HB3 ASN 85 + HB2 GLN 82 OK 87 87 100 100 2.2-5.7 3.5/9797=77, ~9789=67...(18) HB2 ASN 13 - HB2 GLN 82 far 4 88 5 - 3.8-46.3 HB3 ASP 64 - HB2 GLN 68 far 0 97 0 - 6.4-9.2 HB2 ASN 121 - HB3 GLU 102 far 0 45 0 - 6.9-8.5 Violated in 0 structures by 0.00 A. Peak 11027 from aliabs.peaks (8.46, 2.32, 33.81 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: H LEU 70 + HG3 GLN 68 OK 100 100 100 100 4.3-5.2 6938/2160=95...(10) H ASP 47 + HG3 GLN 68 OK 50 100 60 83 6.9-7.8 10995/11016=76, 6547/6541=27 Violated in 0 structures by 0.00 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 2.1-3.6 9531=66, 6983/6973=56...(24) HD2 HIS 67 - HA LEU 69 far 0 92 0 - 8.5-8.6 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 3.9-5.2 2.2/11028=96, 9540=75...(16) HE21 GLN 68 + HA LEU 69 OK 63 90 70 100 5.1-7.3 6923/2.9=47, ~2158=45...(19) HE21 GLN 127 - HA LEU 69 far 0 78 0 - 9.6-15.7 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 = 0.92: QD TYR 72 + HB3 LEU 69 OK 78 78 100 100 4.8-6.2 11028/3.0=92, ~2178=73...(40) HD2 HIS 67 + HB3 LEU 69 OK 63 100 100 63 6.7-6.9 11081/2197=42...(4) Violated in 0 structures by 0.00 A. Peak 11031 from aliabs.peaks (6.47, 0.74, 22.24 ppm; 5.99 A increased from 5.32 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 76 + QD2 LEU 43 OK 100 100 100 100 4.6-5.9 10558/11777=97...(8) QD TYR 76 + QD2 LEU 43 OK 38 57 100 66 5.2-6.5 9109/9129=35...(3) Violated in 0 structures by 0.00 A. Peak 11033 from aliabs.peaks (0.78, 4.35, 58.02 ppm; 5.42 A increased from 5.10 A): 2 out of 8 assignments used, quality = 1.00: QD1 LEU 96 + HA LEU 69 OK 97 97 100 100 4.7-5.5 2.1/11811=87, ~11805=70...(15) QD2 LEU 49 + HA LEU 69 OK 92 93 100 98 5.5-6.0 11820/3.6=47...(15) QD1 LEU 70 - HA LEU 69 far 0 60 0 - 6.4-6.8 QD1 ILE 37 - HA LEU 69 far 0 92 0 - 6.5-7.4 QD1 LEU 122 - HA LEU 69 far 0 76 0 - 6.9-8.7 QD2 LEU 122 - HA LEU 69 far 0 100 0 - 8.0-9.9 QD1 LEU 53 - HA LEU 69 far 0 97 0 - 8.7-10.2 QG1 VAL 63 - HA LEU 69 far 0 100 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 11034 from aliabs.peaks (0.81, 1.65, 40.44 ppm; 4.75 A): 3 out of 7 assignments used, quality = 0.99: QD2 LEU 49 + HB2 LEU 69 OK 96 97 100 99 4.1-4.6 1574/2.9=37...(25) QG2 ILE 129 + HB2 LEU 69 OK 81 90 90 99 4.4-5.5 3.0/11712=63, ~11038=37...(17) QD1 LEU 70 + HB2 LEU 69 OK 29 100 30 98 5.2-5.5 4.3/6941=63, ~11102=40...(12) QD1 LEU 122 - HB2 LEU 69 poor 20 100 20 - 4.9-6.5 QD2 LEU 122 - HB2 LEU 69 far 0 78 0 - 5.8-8.0 QD1 LEU 53 - HB2 LEU 69 far 0 92 0 - 7.3-9.0 QG1 VAL 63 - HB2 LEU 69 far 0 68 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 11035 from aliabs.peaks (0.78, 2.16, 40.44 ppm; 4.87 A): 3 out of 8 assignments used, quality = 1.00: QD1 LEU 96 + HB3 LEU 69 OK 100 100 100 100 2.7-3.2 ~11805=77, ~11694=73...(15) QD2 LEU 49 + HB3 LEU 69 OK 80 81 100 99 3.2-3.6 11061/3.0=41...(23) QD2 LEU 96 + HB3 LEU 69 OK 65 65 100 99 2.7-4.0 11037/3.2=54...(15) QG1 VAL 93 - HB3 LEU 69 far 0 68 0 - 5.7-6.5 QD2 LEU 122 - HB3 LEU 69 far 0 97 0 - 5.8-7.6 QD1 LEU 53 - HB3 LEU 69 far 0 89 0 - 6.6-8.2 QG1 VAL 63 - HB3 LEU 69 far 0 99 0 - 7.6-7.9 QD1 ILE 37 - HB3 LEU 69 far 0 99 0 - 8.8-9.7 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 8 assignments used, quality = 0.99: QD1 LEU 96 + HG LEU 69 OK 93 97 100 96 3.2-3.8 ~11037=45, 11061/2.1=36...(12) QD2 LEU 49 + HG LEU 69 OK 89 93 100 95 3.2-3.9 11061/2.1=35, 1574=33...(22) QD1 LEU 122 - HG LEU 69 far 0 76 0 - 5.1-6.7 QD1 LEU 53 - HG LEU 69 far 0 97 0 - 6.1-7.8 QD2 LEU 122 - HG LEU 69 far 0 100 0 - 6.2-8.1 QD1 LEU 70 - HG LEU 69 far 0 60 0 - 7.1-7.5 QG1 VAL 63 - HG LEU 69 far 0 100 0 - 9.3-9.7 QD1 ILE 37 - HG LEU 69 far 0 92 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 11037 from aliabs.peaks (0.76, 1.01, 23.36 ppm; 3.49 A): 1 out of 8 assignments used, quality = 0.96: QD2 LEU 96 + QD1 LEU 69 OK 96 99 100 96 3.1-3.9 11805/3.2=51...(19) HG12 ILE 129 - QD1 LEU 69 far 5 98 5 - 3.0-5.9 QD1 LEU 96 - QD1 LEU 69 far 4 87 5 - 3.8-4.5 QD2 LEU 43 - QD1 LEU 69 far 0 97 0 - 4.6-5.3 QG1 VAL 93 - QD1 LEU 69 far 0 100 0 - 4.8-5.2 QD1 ILE 37 - QD1 LEU 69 far 0 95 0 - 6.6-7.0 QD2 LEU 103 - QD1 LEU 69 far 0 78 0 - 8.9-9.6 QG1 VAL 63 - QD1 LEU 69 far 0 65 0 - 9.0-9.3 Violated in 1 structures by 0.02 A. Peak 11038 from aliabs.peaks (0.66, 1.01, 23.36 ppm; 4.10 A increased from 3.65 A): 1 out of 4 assignments used, quality = 0.92: QD1 ILE 129 + QD1 LEU 69 OK 92 93 100 99 3.3-4.1 11713/2.1=48...(19) QD1 LEU 43 - QD1 LEU 69 far 0 95 0 - 6.6-6.9 QD2 LEU 100 - QD1 LEU 69 far 0 93 0 - 6.9-7.3 QD2 LEU 62 - QD1 LEU 69 far 0 96 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. Peak 11039 from aliabs.peaks (0.57, 1.01, 23.36 ppm; 3.37 A): 1 out of 2 assignments used, quality = 0.94: QD2 LEU 42 + QD1 LEU 69 OK 94 95 100 99 2.9-3.3 9082=43, 2.1/9078=40...(25) QD1 LEU 100 - QD1 LEU 69 far 0 65 0 - 5.6-5.9 Violated in 0 structures by 0.00 A. Peak 11040 from aliabs.peaks (0.76, 0.87, 27.95 ppm; 3.01 A): 0 out of 10 assignments used, quality = 0.00: QD2 LEU 96 - QD2 LEU 69 far 0 97 0 - 3.9-5.0 QD1 LEU 96 - QD2 LEU 69 far 0 93 0 - 3.9-4.4 HG12 ILE 129 - QD2 LEU 69 far 0 95 0 - 4.9-8.0 QD2 LEU 43 - QD2 LEU 69 far 0 92 0 - 5.6-6.4 QD2 LEU 122 - QD2 LEU 69 far 0 65 0 - 6.3-7.4 QG1 VAL 93 - QD2 LEU 69 far 0 98 0 - 6.4-6.8 QD1 ILE 37 - QD2 LEU 69 far 0 98 0 - 7.1-7.8 QG1 VAL 63 - QD2 LEU 69 far 0 76 0 - 7.5-7.9 QD2 LEU 103 - QD2 LEU 69 far 0 68 0 - 7.6-8.3 QD1 LEU 103 - QD2 LEU 69 far 0 78 0 - 9.5-10.1 Violated in 20 structures by 0.59 A. Peak 11041 from aliabs.peaks (0.66, 0.87, 27.95 ppm; 3.47 A): 0 out of 5 assignments used, quality = 0.00: QD1 LEU 42 - QD2 LEU 69 far 0 65 0 - 4.3-4.8 QD1 ILE 129 - QD2 LEU 69 far 0 97 0 - 5.2-5.8 QD2 LEU 100 - QD2 LEU 69 far 0 87 0 - 5.6-6.2 QD2 LEU 62 - QD2 LEU 69 far 0 90 0 - 6.4-6.8 QD1 LEU 43 - QD2 LEU 69 far 0 89 0 - 7.3-8.0 Violated in 20 structures by 0.75 A. Peak 11042 from aliabs.peaks (0.56, 0.87, 27.95 ppm; 4.88 A increased from 4.33 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 42 + QD2 LEU 69 OK 100 100 100 100 4.5-5.1 11066/2.1=93...(24) Violated in 2 structures by 0.01 A. Peak 11043 from aliabs.peaks (0.30, 0.87, 27.95 ppm; 6.22 A increased from 5.53 A): 1 out of 1 assignment used, quality = 0.99: QG2 VAL 93 + QD2 LEU 69 OK 99 99 100 100 5.8-6.2 9968/2.1=98...(12) Violated in 0 structures by 0.00 A. Peak 11044 from aliabs.peaks (1.22, 0.87, 27.95 ppm; 4.41 A): 1 out of 2 assignments used, quality = 0.96: QG2 THR 65 + QD2 LEU 69 OK 96 98 100 98 2.7-2.9 2.1/11055=55...(16) QG2 THR 54 - QD2 LEU 69 far 0 73 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 11045 from aliabs.peaks (1.35, 0.87, 27.95 ppm; 3.51 A): 1 out of 3 assignments used, quality = 0.97: QB ALA 46 + QD2 LEU 69 OK 97 97 100 100 2.9-3.1 2.1/11054=63...(23) HB2 LEU 42 - QD2 LEU 69 far 0 73 0 - 6.1-6.7 HB3 LEU 100 - QD2 LEU 69 far 0 73 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 11046 from aliabs.peaks (1.33, 1.01, 23.36 ppm; 3.39 A): 1 out of 1 assignment used, quality = 0.96: QB ALA 46 + QD1 LEU 69 OK 96 96 100 100 1.8-2.2 10900/2.1=69...(25) Violated in 0 structures by 0.00 A. Peak 11047 from aliabs.peaks (1.21, 1.01, 23.36 ppm; 5.25 A increased from 4.20 A): 1 out of 3 assignments used, quality = 0.90: QG2 THR 65 + QD1 LEU 69 OK 90 90 100 100 5.0-5.2 11044/2.1=90, ~11055=57...(12) QG2 VAL 77 - QD1 LEU 69 far 0 73 0 - 7.3-7.7 HG12 ILE 80 - QD1 LEU 69 far 0 100 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 11048 from aliabs.peaks (1.94, 0.87, 27.95 ppm; 5.28 A increased from 4.69 A): 1 out of 3 assignments used, quality = 0.62: HB3 LEU 49 + QD2 LEU 69 OK 62 63 100 100 4.5-5.1 3.2/11061=44...(21) HG LEU 53 - QD2 LEU 69 far 0 99 0 - 7.0-9.3 HB ILE 37 - QD2 LEU 69 far 0 68 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 11049 from aliabs.peaks (1.92, 1.01, 23.36 ppm; 6.46 A increased from 5.17 A): 2 out of 7 assignments used, quality = 1.00: HB3 LEU 49 + QD1 LEU 69 OK 100 100 100 100 6.2-7.0 10960/11047=74...(21) HB3 LEU 48 + QD1 LEU 69 OK 69 73 100 94 5.7-6.3 10894/11072=63...(6) HG LEU 53 - QD1 LEU 69 far 0 87 0 - 8.9-10.7 HB2 LYS 95 - QD1 LEU 69 far 0 85 0 - 9.1-9.7 HB2 GLU 40 - QD1 LEU 69 far 0 85 0 - 9.5-10.1 HB2 ARG 90 - QD1 LEU 69 far 0 100 0 - 9.7-10.7 HB3 LYS 95 - QD1 LEU 69 far 0 78 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 11050 from aliabs.peaks (2.93, 0.87, 27.95 ppm; 5.59 A): 1 out of 2 assignments used, quality = 1.00: HB2 CYS 45 + QD2 LEU 69 OK 100 100 100 100 1.9-3.8 11062/2.1=99, ~11061=82...(26) HE2 LYS 39 - QD2 LEU 69 far 0 100 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 11051 from aliabs.peaks (3.15, 0.87, 27.95 ppm; 5.70 A): 1 out of 2 assignments used, quality = 0.57: HB3 CYS 45 + QD2 LEU 69 OK 57 57 100 100 1.9-2.9 ~11062=88, 1.8/11050=85...(25) HB3 TYR 76 - QD2 LEU 69 far 0 93 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 11052 from aliabs.peaks (3.44, 0.87, 27.95 ppm; 5.13 A increased from 4.32 A): 1 out of 2 assignments used, quality = 0.97: HA VAL 126 + QD2 LEU 69 OK 97 100 100 97 4.7-5.0 9187/11045=59, ~11069=43...(11) HA ILE 129 - QD2 LEU 69 far 0 90 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 11053 from aliabs.peaks (3.63, 0.87, 27.95 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.97: HA2 GLY 66 + QD2 LEU 69 OK 96 100 100 96 3.3-3.9 11058/2.1=44...(25) HA3 GLY 66 + QD2 LEU 69 OK 29 100 30 95 4.8-5.3 ~11058=38...(23) Violated in 0 structures by 0.00 A. Peak 11054 from aliabs.peaks (3.89, 0.87, 27.95 ppm; 3.65 A): 1 out of 5 assignments used, quality = 1.00: HA ALA 46 + QD2 LEU 69 OK 100 100 100 100 1.7-1.8 9174=92, 2.1/11045=71...(25) HB3 SER 50 - QD2 LEU 69 far 0 95 0 - 6.0-7.7 HA LEU 70 - QD2 LEU 69 far 0 97 0 - 6.0-6.1 HA ALA 41 - QD2 LEU 69 far 0 78 0 - 7.3-8.1 HA3 GLY 75 - QD2 LEU 69 far 0 100 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 11055 from aliabs.peaks (4.07, 0.87, 27.95 ppm; 5.21 A increased from 4.63 A): 1 out of 7 assignments used, quality = 0.98: HB THR 65 + QD2 LEU 69 OK 98 99 100 99 4.8-5.0 2.1/11044=91, ~11047=56...(11) HA LEU 48 - QD2 LEU 69 far 6 57 10 - 5.7-6.1 HA GLU 44 - QD2 LEU 69 far 0 60 0 - 6.1-6.4 HA LEU 96 - QD2 LEU 69 far 0 89 0 - 7.8-8.3 HB3 SER 74 - QD2 LEU 69 far 0 97 0 - 9.0-10.9 HB2 SER 74 - QD2 LEU 69 far 0 92 0 - 9.2-10.3 HA PHE 89 - QD2 LEU 69 far 0 92 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 11056 from aliabs.peaks (4.10, 1.01, 23.36 ppm; 5.36 A increased from 4.51 A): 1 out of 5 assignments used, quality = 0.96: HA CYS 45 + QD1 LEU 69 OK 96 96 100 100 4.9-5.1 3.0/11062=92...(21) HA PHE 89 - QD1 LEU 69 far 0 89 0 - 7.3-7.6 HA LEU 49 - QD1 LEU 69 far 0 100 0 - 7.3-7.8 HA LEU 48 - QD1 LEU 69 far 0 100 0 - 7.6-8.2 HA ILE 80 - QD1 LEU 69 far 0 78 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 11057 from aliabs.peaks (3.88, 1.01, 23.36 ppm; 3.85 A): 1 out of 7 assignments used, quality = 0.93: HA ALA 46 + QD1 LEU 69 OK 93 93 100 100 2.1-2.8 2.1/11046=80...(25) HA LEU 70 - QD1 LEU 69 far 0 100 0 - 4.5-5.0 HB3 SER 50 - QD1 LEU 69 far 0 100 0 - 6.9-8.5 HA LEU 123 - QD1 LEU 69 far 0 65 0 - 7.5-7.9 HA3 GLY 75 - QD1 LEU 69 far 0 92 0 - 7.9-8.6 HB2 SER 94 - QD1 LEU 69 far 0 81 0 - 9.8-10.5 HA LYS 86 - QD1 LEU 69 far 0 98 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 11058 from aliabs.peaks (3.64, 1.01, 23.36 ppm; 5.62 A increased from 4.73 A): 1 out of 2 assignments used, quality = 0.96: HA2 GLY 66 + QD1 LEU 69 OK 96 97 100 100 5.2-5.4 11053/2.1=69...(21) HA3 GLY 66 - QD1 LEU 69 far 0 99 0 - 6.5-6.8 Violated in 0 structures by 0.00 A. Peak 11059 from aliabs.peaks (3.46, 1.01, 23.36 ppm; 4.09 A): 2 out of 4 assignments used, quality = 0.99: HA LEU 42 + QD1 LEU 69 OK 97 98 100 99 3.6-4.2 9072=68, 3.9/11039=58...(10) HA VAL 126 + QD1 LEU 69 OK 59 71 100 83 3.7-3.9 3.0/11069=36...(12) HA ILE 129 - QD1 LEU 69 far 0 99 0 - 5.4-6.2 HA VAL 77 - QD1 LEU 69 far 0 97 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 11060 from aliabs.peaks (3.34, 1.01, 23.36 ppm; 4.46 A increased from 4.20 A): 2 out of 6 assignments used, quality = 1.00: HB3 TYR 72 + QD1 LEU 69 OK 100 100 100 100 3.1-4.5 2.7/11064=72...(22) HB3 CYS 73 + QD1 LEU 69 OK 57 60 100 94 4.5-4.9 3.8/11084=46...(19) HB2 PHE 89 - QD1 LEU 69 far 0 81 0 - 8.0-8.5 HB2 HIS 67 - QD1 LEU 69 far 0 100 0 - 8.1-8.3 HB3 PHE 89 - QD1 LEU 69 far 0 100 0 - 8.2-8.5 HA VAL 63 - QD1 LEU 69 far 0 73 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 11061 from aliabs.peaks (3.10, 1.01, 23.36 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.90: HB3 CYS 45 + QD1 LEU 69 OK 90 90 100 100 3.5-4.2 1.8/11062=84...(21) Violated in 1 structures by 0.00 A. Peak 11062 from aliabs.peaks (2.94, 1.01, 23.36 ppm; 3.81 A): 1 out of 3 assignments used, quality = 0.95: HB2 CYS 45 + QD1 LEU 69 OK 95 100 95 100 2.8-4.4 9160=69, 1.8/11061=66...(20) HE2 LYS 39 - QD1 LEU 69 far 0 98 0 - 8.2-9.4 HE3 LYS 39 - QD1 LEU 69 far 0 98 0 - 9.1-10.4 Violated in 1 structures by 0.03 A. Peak 11063 from aliabs.peaks (3.33, 0.87, 27.95 ppm; 5.78 A): 1 out of 3 assignments used, quality = 0.95: HB3 TYR 72 + QD2 LEU 69 OK 95 95 100 100 4.6-5.8 9514/2.1=77...(18) HB2 HIS 67 - QD2 LEU 69 far 0 92 0 - 6.6-7.3 HB3 CYS 73 - QD2 LEU 69 far 0 87 0 - 6.9-7.2 Violated in 1 structures by 0.00 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 3.1-3.9 11028/2208=46...(24) HD2 HIS 67 - QD1 LEU 69 far 0 65 0 - 8.4-8.6 Violated in 0 structures by 0.00 A. Peak 11065 from aliabs.peaks (6.81, 1.01, 23.36 ppm; 5.65 A increased from 4.76 A): 2 out of 3 assignments used, quality = 1.00: QE TYR 72 + QD1 LEU 69 OK 100 100 100 100 4.8-5.5 2.2/11064=99...(20) HE21 GLN 68 + QD1 LEU 69 OK 29 99 30 99 5.3-7.5 6923/4.3=48, ~11022=40...(14) HE21 GLN 127 - QD1 LEU 69 far 0 93 0 - 6.4-11.1 Violated in 0 structures by 0.00 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 3.4-3.9 9563=96, 3.5/9522=91...(23) 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 1 assignment used, quality = 0.63: H CYS 45 + QD1 LEU 69 OK 63 63 100 100 4.5-4.8 3.2/11083=95...(21) Violated in 0 structures by 0.00 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 3.4-4.0 11080/2.1=99...(25) 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 4.1-4.8 2.2/11068=88, ~11064=86...(18) HE21 GLN 68 + QD2 LEU 69 OK 78 78 100 100 2.8-5.2 4.6/11048=73...(14) HE21 GLN 127 - QD2 LEU 69 far 3 63 5 - 5.5-11.1 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 6 assignments used, quality = 0.94: HA GLN 134 + QD2 LEU 43 OK 87 87 100 100 3.8-4.9 11682=69, 3.0/9116=66...(20) HA ASP 131 + QD2 LEU 43 OK 58 65 100 88 3.8-4.7 4.9/11747=49...(8) HA ASP 47 - QD2 LEU 43 far 0 100 0 - 5.5-6.3 HA LEU 69 - QD2 LEU 43 far 0 95 0 - 7.4-8.4 HA TYR 76 - QD2 LEU 43 far 0 63 0 - 8.1-9.6 HA CYS 125 - QD2 LEU 43 far 0 81 0 - 9.6-10.4 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 2.8-3.3 9176=100, 9177/9129=46...(16) Violated in 0 structures by 0.00 A. Peak 11072 from aliabs.peaks (1.04, 0.74, 22.24 ppm; 3.61 A increased from 3.40 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 133 + QD2 LEU 43 OK 100 100 100 100 2.3-3.6 11776=96, 2.1/11777=79...(31) QG1 VAL 77 - QD2 LEU 43 far 0 89 0 - 8.9-9.9 Violated in 1 structures by 0.00 A. Peak 11073 from aliabs.peaks (1.16, 0.74, 22.24 ppm; 3.67 A): 2 out of 5 assignments used, quality = 0.99: HG3 LYS 39 + QD2 LEU 43 OK 99 99 100 99 3.0-4.2 11901/2.1=66...(35) HG2 LYS 39 + QD2 LEU 43 OK 20 83 25 98 4.1-5.6 ~11901=46, 11806/2.1=30...(34) QG2 VAL 132 - QD2 LEU 43 far 0 92 0 - 5.2-6.1 QG1 VAL 132 - QD2 LEU 43 far 0 65 0 - 6.2-6.8 QB ALA 41 - QD2 LEU 43 far 0 81 0 - 6.2-7.0 Violated in 1 structures by 0.02 A. Peak 11074 from aliabs.peaks (2.33, 0.74, 22.24 ppm; 4.66 A): 1 out of 6 assignments used, quality = 1.00: HB3 GLN 134 + QD2 LEU 43 OK 100 100 100 100 2.5-4.7 2.9/9127=80, 2.9/9124=77...(26) HG2 GLU 44 - QD2 LEU 43 far 0 87 0 - 6.2-7.1 HG2 GLN 127 - QD2 LEU 43 far 0 98 0 - 6.9-8.5 HG2 GLU 128 - QD2 LEU 43 far 0 99 0 - 7.8-9.1 HG3 GLN 68 - QD2 LEU 43 far 0 92 0 - 8.7-9.6 HB VAL 77 - QD2 LEU 43 far 0 99 0 - 8.8-10.0 Violated in 1 structures by 0.00 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 3.4-4.1 7935/11090=77, 10580=74...(15) Violated in 0 structures by 0.00 A. Peak 11076 from aliabs.peaks (8.05, 0.74, 22.24 ppm; 5.59 A): 1 out of 2 assignments used, quality = 0.93: H SER 130 + QD2 LEU 43 OK 93 93 100 100 3.9-4.5 2.9/11747=95...(17) H LEU 48 - QD2 LEU 43 far 0 100 0 - 6.9-7.5 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 4.4-5.1 3.1/9176=95...(7) H HIS 4 - QD2 LEU 43 far 0 100 0 - 6.9-57.4 Violated in 0 structures by 0.00 A. Peak 11078 from aliabs.peaks (7.17, 1.71, 41.52 ppm; 6.18 A): 2 out of 2 assignments used, quality = 1.00: HD2 HIS 67 + HB3 LEU 70 OK 99 99 100 100 3.9-4.7 11081/3.2=88...(11) HD2 HIS 67 + HB2 LEU 70 OK 91 91 100 100 5.0-5.9 11081/3.2=88...(9) Violated in 0 structures by 0.00 A. Peak 11079 from aliabs.peaks (7.17, 3.88, 58.34 ppm; 6.80 A increased from 5.88 A): 1 out of 1 assignment used, quality = 1.00: HD2 HIS 67 + HA LEU 70 OK 100 100 100 100 6.7-7.0 11081/2269=96...(5) Violated in 13 structures by 0.07 A. Peak 11080 from aliabs.peaks (7.16, 0.81, 25.48 ppm; 5.32 A increased from 4.25 A): 2 out of 4 assignments used, quality = 1.00: HD2 HIS 67 + QD1 LEU 70 OK 99 100 100 99 4.8-5.4 11081/2.1=92...(7) HD2 HIS 67 + QD1 LEU 122 OK 61 95 85 76 4.9-7.0 10044/9487=55, 9470=22...(5) QD TYR 72 - QD1 LEU 70 far 0 73 0 - 7.2-7.6 QD TYR 72 - QD1 LEU 122 far 0 65 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 11081 from aliabs.peaks (7.16, 0.86, 25.01 ppm; 4.54 A increased from 4.27 A): 1 out of 2 assignments used, quality = 0.96: HD2 HIS 67 + QD2 LEU 70 OK 96 100 100 96 3.7-4.6 2096/11089=63...(7) QD TYR 72 - QD2 LEU 70 far 0 73 0 - 6.2-7.0 Violated in 1 structures by 0.01 A. Peak 11082 from aliabs.peaks (8.28, 0.81, 25.48 ppm; 5.05 A): 5 out of 12 assignments used, quality = 1.00: H LEU 96 + QD1 LEU 70 OK 91 99 95 98 5.2-5.8 11083/2.1=62...(13) H SER 99 + QD1 LEU 122 OK 87 92 95 100 3.1-6.3 3.7/11702=60, ~11481=53...(21) H VAL 126 + QD1 LEU 122 OK 87 94 95 97 3.7-5.7 10405/3.1=70...(13) H LEU 123 + QD1 LEU 122 OK 80 82 100 98 2.5-4.9 7744/3.1=52, 3.6/3893=37...(14) H LEU 96 + QD1 LEU 122 OK 27 92 30 99 4.2-7.0 ~3901=27, 2.9/3893=27...(31) H LEU 69 - QD1 LEU 122 far 13 83 15 - 5.5-7.7 H LEU 49 - QD1 LEU 122 far 4 80 5 - 5.5-8.6 H LEU 69 - QD1 LEU 70 far 0 92 0 - 6.4-6.6 H SER 99 - QD1 LEU 70 far 0 99 0 - 6.4-7.1 H VAL 126 - QD1 LEU 70 far 0 100 0 - 8.4-9.0 H ARG 23 - QD1 LEU 70 far 0 78 0 - 8.9-24.1 H ALA 21 - QD1 LEU 70 far 0 60 0 - 10.0-27.6 Violated in 0 structures by 0.00 A. Peak 11083 from aliabs.peaks (8.27, 0.86, 25.01 ppm; 4.83 A increased from 4.07 A): 1 out of 4 assignments used, quality = 0.98: H LEU 96 + QD2 LEU 70 OK 98 98 100 100 4.4-4.7 11355=70, 3083/11106=63...(17) H SER 99 - QD2 LEU 70 far 0 71 0 - 5.5-6.4 H VAL 126 - QD2 LEU 70 far 0 95 0 - 6.4-6.8 H LEU 123 - QD2 LEU 70 far 0 100 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 11084 from aliabs.peaks (7.72, 0.86, 25.01 ppm; 5.49 A): 2 out of 2 assignments used, quality = 0.95: H LYS 95 + QD2 LEU 70 OK 82 87 95 99 5.6-6.1 3.1/11083=78...(11) H LEU 98 + QD2 LEU 70 OK 71 71 100 100 4.5-5.1 3.6/11090=92...(13) Violated in 0 structures by 0.00 A. Peak 11085 from aliabs.peaks (7.74, 0.81, 25.48 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.99: H LEU 98 + QD1 LEU 70 OK 97 97 100 100 4.7-5.2 4.7/11111=94...(11) H LEU 98 + QD1 LEU 122 OK 70 89 95 83 4.3-7.6 7390/10026=33...(9) H GLU 55 - QD1 LEU 122 far 0 85 0 - 8.6-12.3 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 - 9.3-9.8 Violated in 20 structures by 4.52 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; 4.23 A increased from 3.76 A): 1 out of 9 assignments used, quality = 0.79: HA SER 94 + QD1 LEU 70 OK 79 85 100 93 3.6-4.7 11456/9489=44...(12) HA SER 99 - QD1 LEU 122 far 9 94 10 - 3.8-6.9 HA HIS 67 - QD1 LEU 70 far 5 96 5 - 4.6-5.0 HA HIS 67 - QD1 LEU 122 far 0 88 0 - 5.1-7.1 HA SER 124 - QD1 LEU 122 far 0 65 0 - 6.2-8.8 HA SER 94 - QD1 LEU 122 far 0 76 0 - 7.1-9.7 HA SER 51 - QD1 LEU 122 far 0 95 0 - 8.6-11.9 HA SER 99 - QD1 LEU 70 far 0 100 0 - 8.6-9.0 HA GLU 128 - QD1 LEU 122 far 0 58 0 - 9.4-11.5 Violated in 3 structures by 0.03 A. Peak 11089 from aliabs.peaks (4.21, 0.86, 25.01 ppm; 3.78 A): 1 out of 4 assignments used, quality = 0.97: HA HIS 67 + QD2 LEU 70 OK 97 100 100 98 3.2-3.8 10037/11115=44...(14) HA SER 94 - QD2 LEU 70 far 0 68 0 - 4.6-5.2 HA SER 99 - QD2 LEU 70 far 0 96 0 - 7.5-8.2 HB THR 25 - QD2 LEU 70 far 0 76 0 - 8.7-23.5 Violated in 1 structures by 0.00 A. Peak 11090 from aliabs.peaks (3.76, 0.86, 25.01 ppm; 3.46 A): 1 out of 5 assignments used, quality = 1.00: HA GLU 97 + QD2 LEU 70 OK 100 100 100 100 2.1-2.7 3.0/11109=47...(26) HB2 SER 99 - QD2 LEU 70 far 0 100 0 - 6.1-7.2 HA SER 130 - QD2 LEU 70 far 0 98 0 - 9.4-10.4 HB3 SER 130 - QD2 LEU 70 far 0 99 0 - 9.5-10.8 HA LEU 43 - QD2 LEU 70 far 0 95 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 11091 from aliabs.peaks (3.76, 0.81, 25.48 ppm; 3.68 A): 3 out of 5 assignments used, quality = 1.00: HA GLU 97 + QD1 LEU 70 OK 100 100 100 100 2.9-3.8 11090/2.1=74, 10000=66...(23) HB2 SER 99 + QD1 LEU 122 OK 80 94 85 100 1.8-5.1 1.8/11702=57, 11479=45...(37) HA GLU 97 + QD1 LEU 122 OK 21 95 30 73 3.7-6.0 10001/9487=33, 10000=17...(15) HB2 SER 99 - QD1 LEU 70 far 0 100 0 - 7.5-8.7 HB3 SER 130 - QD1 LEU 122 far 0 92 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 11092 from aliabs.peaks (2.96, 0.81, 25.48 ppm; 5.60 A increased from 5.27 A): 1 out of 9 assignments used, quality = 0.85: HB3 ASN 121 + QD1 LEU 122 OK 85 85 100 100 3.7-5.9 7725/4.3=70, ~10290=67...(13) HE2 LYS 19 - QD1 LEU 70 far 0 99 0 - 7.0-32.6 HB3 ASN 116 - QD1 LEU 122 far 0 50 0 - 7.2-10.0 HE3 LYS 19 - QD1 LEU 70 far 0 99 0 - 7.5-33.1 HB2 CYS 45 - QD1 LEU 122 far 0 55 0 - 8.5-10.6 HE2 LYS 24 - QD1 LEU 70 far 0 97 0 - 8.6-25.6 HE3 LYS 24 - QD1 LEU 70 far 0 90 0 - 8.8-24.8 HB2 CYS 45 - QD1 LEU 70 far 0 63 0 - 9.4-10.5 HB3 ASN 121 - QD1 LEU 70 far 0 93 0 - 9.8-11.4 Violated in 1 structures by 0.01 A. Peak 11093 from aliabs.peaks (3.33, 0.86, 25.01 ppm; 4.61 A increased from 4.34 A): 1 out of 6 assignments used, quality = 0.68: HB3 CYS 73 + QD2 LEU 70 OK 68 68 100 100 3.8-4.6 1.8/11094=87...(17) HB2 HIS 67 - QD2 LEU 70 far 0 99 0 - 5.5-6.2 HB3 TYR 72 - QD2 LEU 70 far 0 100 0 - 6.5-7.9 HA VAL 63 - QD2 LEU 70 far 0 65 0 - 6.6-7.4 HB3 PHE 89 - QD2 LEU 70 far 0 100 0 - 9.0-9.8 HB2 PHE 89 - QD2 LEU 70 far 0 87 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 11094 from aliabs.peaks (2.75, 0.86, 25.01 ppm; 4.23 A): 1 out of 5 assignments used, quality = 0.90: HB2 CYS 73 + QD2 LEU 70 OK 90 90 100 100 3.0-3.5 1.8/11093=67...(16) HB2 CYS 125 - QD2 LEU 70 far 0 73 0 - 5.6-6.9 HB2 TYR 76 - QD2 LEU 70 far 0 98 0 - 7.9-8.8 HB2 ASP 64 - QD2 LEU 70 far 0 100 0 - 9.7-10.3 HB3 ASN 13 - QD2 LEU 70 far 0 93 0 - 9.9-30.7 Violated in 0 structures by 0.00 A. Peak 11095 from aliabs.peaks (2.21, 3.88, 58.34 ppm; 5.37 A increased from 4.77 A): 1 out of 5 assignments used, quality = 0.51: HG2 GLU 97 + HA LEU 70 OK 51 65 100 78 4.2-5.2 11110/2261=40...(6) HB3 GLU 97 - HA LEU 70 poor 19 100 25 78 4.9-6.3 10003/4.0=35...(5) HB3 LEU 96 - HA LEU 70 far 10 65 15 - 5.9-6.7 HG2 GLN 68 - HA LEU 70 far 0 100 0 - 7.0-7.6 HB2 GLN 68 - HA LEU 70 far 0 100 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 11096 from aliabs.peaks (2.75, 1.71, 41.52 ppm; 5.76 A): 2 out of 7 assignments used, quality = 0.98: HB2 CYS 73 + HB2 LEU 70 OK 90 90 100 100 4.2-5.2 11094/3.2=91...(17) HB2 CYS 73 + HB3 LEU 70 OK 81 81 100 100 4.8-5.5 11094/3.2=91...(18) HB3 ASN 13 - HB2 LEU 70 far 0 93 0 - 8.6-33.4 HB3 ASN 13 - HB3 LEU 70 far 0 84 0 - 9.0-34.8 HB2 TYR 76 - HB2 LEU 70 far 0 98 0 - 9.5-9.9 HB2 CYS 125 - HB3 LEU 70 far 0 64 0 - 9.6-11.4 HB2 TYR 76 - HB3 LEU 70 far 0 90 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 11097 from aliabs.peaks (3.32, 1.71, 41.52 ppm; 5.69 A increased from 5.35 A): 3 out of 6 assignments used, quality = 0.95: HB2 HIS 67 + HB3 LEU 70 OK 77 77 100 100 4.4-5.6 3.8/9458=59, ~11089=57...(24) HB2 HIS 67 + HB2 LEU 70 OK 52 87 60 100 5.6-7.3 ~11089=57, ~6936=52...(21) HB3 CYS 73 + HB2 LEU 70 OK 51 92 55 100 5.8-6.8 2233/3.0=80...(17) HB3 CYS 73 - HB3 LEU 70 far 0 82 0 - 6.4-7.1 HB3 TYR 72 - HB3 LEU 70 far 0 81 0 - 7.2-8.7 HB3 TYR 72 - HB2 LEU 70 far 0 90 0 - 7.4-8.6 Violated in 0 structures by 0.00 A. Peak 11098 from aliabs.peaks (3.41, 0.81, 25.48 ppm; 5.24 A): 0 out of 4 assignments used, quality = 0.00: HA VAL 126 - QD1 LEU 122 poor 19 55 35 - 4.7-6.8 HB3 HIS 67 - QD1 LEU 122 far 0 95 0 - 6.0-8.3 HB3 HIS 67 - QD1 LEU 70 far 0 100 0 - 6.3-7.4 HA VAL 126 - QD1 LEU 70 far 0 63 0 - 7.7-8.3 Violated in 15 structures by 0.14 A. Peak 11099 from aliabs.peaks (2.14, 0.86, 25.01 ppm; 3.67 A): 2 out of 2 assignments used, quality = 1.00: HB2 GLU 97 + QD2 LEU 70 OK 99 99 100 100 1.9-4.2 11111/2.1=64...(26) HB3 LEU 69 + QD2 LEU 70 OK 71 89 100 80 3.6-3.9 4.4/2268=39, 2197=24...(9) Violated in 0 structures by 0.00 A. Peak 11100 from aliabs.peaks (2.23, 0.81, 25.48 ppm; 3.56 A): 2 out of 18 assignments used, quality = 1.00: HG2 GLU 97 + QD1 LEU 70 OK 98 98 100 100 1.9-2.5 1.8/9489=69...(28) HB3 GLU 97 + QD1 LEU 70 OK 93 93 100 100 1.8-2.8 1.8/11111=66...(30) HB3 LEU 96 - QD1 LEU 122 far 14 91 15 - 3.4-6.2 HB3 LEU 96 - QD1 LEU 70 far 0 98 0 - 5.0-5.5 HG2 GLU 97 - QD1 LEU 122 far 0 91 0 - 5.1-8.2 HB3 GLU 97 - QD1 LEU 122 far 0 85 0 - 5.6-8.3 HB3 GLU 102 - QD1 LEU 122 far 0 94 0 - 5.8-9.7 HB3 GLN 104 - QD1 LEU 122 far 0 90 0 - 6.1-8.6 HB3 GLN 127 - QD1 LEU 122 far 0 89 0 - 6.1-8.7 HG2 GLN 68 - QD1 LEU 122 far 0 78 0 - 6.5-8.7 HB2 GLN 101 - QD1 LEU 70 far 0 63 0 - 6.8-8.2 HB2 GLN 68 - QD1 LEU 122 far 0 83 0 - 7.4-9.9 HB2 GLN 101 - QD1 LEU 122 far 0 55 0 - 7.6-10.2 HG2 GLN 68 - QD1 LEU 70 far 0 87 0 - 7.9-8.6 HB2 GLN 68 - QD1 LEU 70 far 0 92 0 - 8.5-8.7 HB3 GLU 128 - QD1 LEU 122 far 0 95 0 - 8.9-11.5 HB3 GLN 104 - QD1 LEU 70 far 0 97 0 - 9.2-10.6 HB3 GLU 102 - QD1 LEU 70 far 0 100 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 11101 from aliabs.peaks (2.14, 0.81, 25.48 ppm; 3.88 A): 1 out of 6 assignments used, quality = 1.00: HB2 GLU 97 + QD1 LEU 70 OK 100 100 100 100 1.7-3.2 11109/2.1=72...(26) HB VAL 126 - QD1 LEU 122 far 3 53 5 - 3.2-5.5 HB3 LEU 69 - QD1 LEU 122 far 0 74 0 - 4.6-6.5 HB2 GLU 97 - QD1 LEU 122 far 0 94 0 - 5.4-7.6 HB3 LEU 69 - QD1 LEU 70 far 0 83 0 - 6.0-6.3 HB VAL 126 - QD1 LEU 70 far 0 60 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 11102 from aliabs.peaks (2.18, 1.71, 41.52 ppm; 5.26 A): 1 out of 6 assignments used, quality = 0.68: HB3 LEU 69 + HB3 LEU 70 OK 68 69 100 100 4.8-5.3 ~6941=65, ~6944=40...(21) HB3 LEU 69 - HB2 LEU 70 far 0 78 0 - 6.3-6.6 HB3 GLN 68 - HB3 LEU 70 far 0 94 0 - 6.8-7.1 HB3 GLN 68 - HB2 LEU 70 far 0 100 0 - 8.0-8.2 HB2 GLN 101 - HB3 LEU 70 far 0 59 0 - 9.0-10.8 HB2 GLN 101 - HB2 LEU 70 far 0 68 0 - 9.2-11.2 Violated in 1 structures by 0.00 A. Peak 11103 from aliabs.peaks (1.37, 1.71, 41.52 ppm; 5.71 A increased from 5.38 A): 3 out of 13 assignments used, quality = 0.88: HG LEU 96 + HB2 LEU 70 OK 63 63 100 100 5.8-6.1 ~11810=71, ~11692=65...(16) HG LEU 96 + HB3 LEU 70 OK 54 54 100 100 5.0-5.6 ~11810=71, ~11692=65...(16) HB3 LEU 100 + HB3 LEU 70 OK 28 93 30 100 5.9-6.8 ~11107=59, ~11115=57...(15) QB ALA 15 - HB2 LEU 70 far 5 96 5 - 2.1-30.4 QB ALA 15 - HB3 LEU 70 far 4 87 5 - 3.6-31.6 QB ALA 16 - HB2 LEU 70 far 0 78 0 - 6.5-33.7 HB3 LEU 100 - HB2 LEU 70 far 0 100 0 - 7.0-8.0 QB ALA 12 - HB2 LEU 70 far 0 97 0 - 7.1-27.6 HB2 LEU 96 - HB3 LEU 70 far 0 88 0 - 7.7-8.4 QB ALA 16 - HB3 LEU 70 far 0 69 0 - 7.8-34.9 QB ALA 12 - HB3 LEU 70 far 0 89 0 - 8.4-28.7 HB2 LEU 96 - HB2 LEU 70 far 0 97 0 - 8.6-9.0 HG2 LYS 24 - HB2 LEU 70 far 0 99 0 - 9.8-27.1 Violated in 0 structures by 0.00 A. Peak 11104 from aliabs.peaks (3.79, 1.61, 27.00 ppm; 5.59 A increased from 4.71 A): 2 out of 5 assignments used, quality = 0.96: HA VAL 118 + HG LEU 119 OK 84 84 100 100 5.2-5.5 3.5/7654=88...(15) HA VAL 118 + HG LEU 122 OK 76 90 85 99 4.4-6.8 7718/4.6=54...(21) HB2 SER 9 - HG LEU 22 far 0 67 0 - 7.0-35.8 HB3 SER 9 - HG LEU 22 far 0 84 0 - 8.0-34.4 HA ARG 90 - HG LEU 70 far 0 100 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 11105 from aliabs.peaks (1.40, 1.61, 27.00 ppm; 4.41 A increased from 4.15 A): 2 out of 36 assignments used, quality = 0.99: HG LEU 96 + HG LEU 70 OK 99 100 100 99 4.1-4.4 11114/2.1=90, ~11916=38...(13) HG2 LYS 24 + HG LEU 22 OK 23 54 50 84 3.2-9.2 10714/2.1=29, ~10756=21...(15) HB3 LEU 100 - HG LEU 70 far 9 63 15 - 4.9-5.6 HB2 LEU 96 - HG LEU 122 far 7 75 10 - 4.7-6.2 HB3 LEU 100 - HG LEU 122 far 6 58 10 - 4.6-7.4 HG LEU 96 - HG LEU 122 far 5 96 5 - 5.0-7.4 QB ALA 15 - HG LEU 70 far 4 83 5 - 3.8-32.1 QB ALA 109 - HG LEU 119 far 4 82 5 - 4.9-6.1 HG3 LYS 26 - HG3 ARG 23 far 4 75 5 - 4.8-11.8 HG2 LYS 24 - HG3 ARG 23 far 3 63 5 - 3.4-7.2 HG2 LYS 26 - HG3 ARG 23 far 3 53 5 - 4.6-13.4 QB ALA 28 - HG3 ARG 23 far 0 81 0 - 5.1-16.5 QB ALA 28 - HG LEU 22 far 0 71 0 - 5.2-17.5 QB ALA 34 - HG3 ARG 23 far 0 87 0 - 5.4-15.7 HG3 LYS 31 - HG3 ARG 23 far 0 83 0 - 5.6-20.5 QB ALA 16 - HG3 ARG 23 far 0 91 0 - 6.4-14.7 QB ALA 29 - HG LEU 22 far 0 59 0 - 6.7-19.6 QB ALA 15 - HG3 ARG 23 far 0 75 0 - 6.8-14.9 HG3 LYS 31 - HG LEU 22 far 0 72 0 - 6.9-24.4 QB ALA 16 - HG LEU 70 far 0 97 0 - 7.0-35.4 HB2 LEU 96 - HG LEU 70 far 0 81 0 - 7.1-7.4 HG13 ILE 32 - HG3 ARG 23 far 0 58 0 - 7.9-17.0 QB ALA 108 - HG LEU 119 far 0 66 0 - 8.6-9.5 QB ALA 16 - HG LEU 22 far 0 81 0 - 8.7-14.2 HG13 ILE 32 - HG LEU 22 far 0 50 0 - 8.8-19.8 HG2 LYS 86 - HG3 ARG 23 far 0 89 0 - 8.9-26.7 QB ALA 92 - HG LEU 122 far 0 58 0 - 9.0-10.5 QB ALA 29 - HG3 ARG 23 far 0 68 0 - 9.0-17.4 HG3 LYS 26 - HG LEU 22 far 0 65 0 - 9.0-14.0 QB ALA 110 - HG LEU 119 far 0 73 0 - 9.1-10.7 HB3 LEU 100 - HG LEU 119 far 0 52 0 - 9.3-10.9 HG2 LYS 95 - HG LEU 122 far 0 89 0 - 9.4-11.2 QB ALA 109 - HG LEU 122 far 0 88 0 - 9.4-11.5 QB ALA 92 - HG LEU 70 far 0 63 0 - 9.5-10.1 HG3 LYS 95 - HG LEU 122 far 0 85 0 - 9.6-11.3 QB ALA 34 - HG LEU 22 far 0 77 0 - 9.8-16.8 Violated in 0 structures by 0.00 A. Peak 11106 from aliabs.peaks (1.39, 0.86, 25.01 ppm; 3.29 A): 1 out of 9 assignments used, quality = 0.96: HG LEU 96 + QD2 LEU 70 OK 96 100 100 97 1.8-1.9 3.0/11916=30...(20) QB ALA 15 - QD2 LEU 70 far 0 97 0 - 4.0-27.8 HB2 LEU 96 - QD2 LEU 70 far 0 96 0 - 4.2-4.4 HB3 LEU 100 - QD2 LEU 70 far 0 85 0 - 4.5-5.4 QB ALA 16 - QD2 LEU 70 far 0 100 0 - 6.8-30.5 HG3 LYS 95 - QD2 LEU 70 far 0 99 0 - 7.1-8.7 HG2 LYS 95 - QD2 LEU 70 far 0 100 0 - 7.4-9.1 HB2 LEU 42 - QD2 LEU 70 far 0 85 0 - 9.4-9.8 QB ALA 34 - QD2 LEU 70 far 0 78 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 11107 from aliabs.peaks (0.62, 0.86, 25.01 ppm; 3.24 A): 1 out of 3 assignments used, quality = 0.71: QD1 LEU 100 + QD2 LEU 70 OK 71 76 100 94 1.8-2.6 10001/11090=29...(22) QD1 ILE 129 - QD2 LEU 70 far 0 60 0 - 4.0-4.7 QD1 LEU 42 - QD2 LEU 70 far 0 96 0 - 5.5-6.0 Violated in 0 structures by 0.00 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 3.3-4.1 11107/3.2=89...(16) QD1 LEU 100 + HB2 LEU 70 OK 80 81 100 100 4.5-5.2 11107/3.2=89...(15) QD1 LEU 42 - HB3 LEU 70 far 0 85 0 - 6.9-7.4 QD1 LEU 42 - HB2 LEU 70 far 0 75 0 - 7.0-7.4 Violated in 0 structures by 0.00 A. Peak 11109 from aliabs.peaks (0.64, 3.88, 58.34 ppm; 5.66 A increased from 4.76 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 129 + HA LEU 70 OK 98 99 100 99 5.0-5.9 9967/9484=81...(8) QD1 LEU 42 + HA LEU 70 OK 94 97 100 97 5.1-5.5 9565/6989=64...(8) Violated in 0 structures by 0.00 A. Peak 11110 from aliabs.peaks (1.20, 0.81, 25.48 ppm; 4.34 A): 0 out of 4 assignments used, quality = 0.00: QG2 THR 65 - QD1 LEU 122 far 3 60 5 - 4.9-7.1 QG2 VAL 77 - QD1 LEU 70 far 0 93 0 - 7.0-7.9 QG2 THR 25 - QD1 LEU 70 far 0 76 0 - 7.2-19.0 QG2 THR 65 - QD1 LEU 70 far 0 68 0 - 8.6-8.8 Violated in 20 structures by 0.86 A. Peak 11111 from aliabs.peaks (2.19, 4.42, 57.33 ppm; 6.80 A increased from 6.11 A): 0 out of 4 assignments used, quality = 0.00: HB3 GLN 68 - HA ASP 71 far 5 95 5 - 7.4-8.1 HB2 GLN 68 - HA ASP 71 far 4 71 5 - 7.3-8.5 HB3 GLU 97 - HA ASP 71 far 0 68 0 - 8.2-9.3 HG2 GLN 68 - HA ASP 71 far 0 78 0 - 8.2-8.5 Violated in 0 structures by 0.00 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: QE MET 11 - HA ASP 71 far 0 100 0 - 8.6-31.7 HG2 ARG 90 - HA ASP 71 far 0 100 0 - 10.0-12.4 Violated in 20 structures by 6.45 A. Peak 11113 from aliabs.peaks (1.76, 4.42, 57.33 ppm; 5.60 A): 0 out of 4 assignments used, quality = 0.00: HB2 LYS 24 - HA ASP 71 far 0 85 0 - 8.5-23.4 HB2 ARG 23 - HA ASP 71 far 0 97 0 - 9.3-24.5 HG3 ARG 90 - HA ASP 71 far 0 68 0 - 9.5-12.7 HB2 LYS 19 - HA ASP 71 far 0 83 0 - 9.8-33.9 Violated in 20 structures by 4.89 A. Peak 11114 from aliabs.peaks (2.20, 2.81, 39.26 ppm; 4.75 A): 1 out of 4 assignments used, quality = 0.89: HB3 GLN 68 + HB3 ASP 71 OK 89 89 100 100 4.6-5.4 3.0/2129=81, ~2128=51...(16) HB2 GLN 68 - HB3 ASP 71 far 4 81 5 - 4.4-6.0 HG2 GLN 68 - HB3 ASP 71 far 0 87 0 - 5.9-6.3 HB3 GLU 97 - HB3 ASP 71 far 0 78 0 - 9.0-10.9 Violated in 3 structures by 0.04 A. Peak 11115 from aliabs.peaks (0.79, 4.42, 57.33 ppm; 5.12 A increased from 4.55 A): 2 out of 5 assignments used, quality = 0.88: QD1 LEU 70 + HA ASP 71 OK 81 81 100 100 4.6-5.1 3.2/9509=70, 6964/2.8=56...(18) QD1 ILE 37 + HA ASP 71 OK 39 76 90 57 5.1-5.9 10749/4.8=40...(3) QD1 LEU 96 - HA ASP 71 far 0 87 0 - 7.9-8.6 QD1 LEU 122 - HA ASP 71 far 0 92 0 - 9.9-11.9 QD2 LEU 49 - HA ASP 71 far 0 99 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 11116 from aliabs.peaks (8.41, 4.42, 57.33 ppm; 5.60 A): 1 out of 1 assignment used, quality = 1.00: H SER 74 + HA ASP 71 OK 100 100 100 100 4.1-4.4 7004=100, 6986/3.6=65...(7) 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 4 assignments used, quality = 1.00: HA ILE 37 + QD TYR 72 OK 100 100 100 100 3.6-4.5 1089/9022=91, 9366=88...(27) HA GLN 68 + QD TYR 72 OK 81 81 100 100 3.9-4.8 3.7/9482=66, 3.7/9481=65...(14) HB2 SER 38 - QD TYR 72 far 0 83 0 - 6.7-7.7 HA GLU 44 - QD TYR 72 far 0 87 0 - 7.9-8.5 Violated in 0 structures by 0.00 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 2.0-3.7 9113=98, 10826/9022=62...(14) HA VAL 77 - QD TYR 72 far 0 68 0 - 9.2-9.6 HA ILE 129 - QD TYR 72 far 0 78 0 - 9.9-11.1 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 4.3-5.1 6979/2.9=91, ~6978=78...(6) 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 = 1.00: HG13 ILE 37 + HA TYR 72 OK 100 100 100 100 2.7-4.2 2.1/10749=92, 10832=68...(25) HB3 LEU 42 + HA TYR 72 OK 97 97 100 100 4.1-5.0 3.2/9115=63...(32) Violated in 0 structures by 0.00 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 5.4-6.0 11064/3.4=94...(25) Violated in 0 structures by 0.00 A. Peak 11123 from aliabs.peaks (1.51, 7.14, 131.84 ppm; 5.12 A): 2 out of 3 assignments used, quality = 0.82: HG LEU 42 + QD TYR 72 OK 71 71 100 100 3.6-4.6 2.1/9111=69, 3.7/9113=69...(31) HG LEU 69 + QD TYR 72 OK 40 100 40 100 5.5-6.5 2.1/11064=94...(20) HB2 LEU 49 - QD TYR 72 far 0 92 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 11124 from aliabs.peaks (1.38, 7.14, 131.84 ppm; 6.39 A): 2 out of 6 assignments used, quality = 1.00: HB2 LEU 42 + QD TYR 72 OK 97 97 100 100 4.6-5.7 3.0/9113=96...(30) HG2 LYS 36 + QD TYR 72 OK 94 100 100 94 4.7-6.4 10820/9022=48...(6) QB ALA 15 - QD TYR 72 far 5 100 5 - 6.5-27.8 HG LEU 96 - QD TYR 72 far 0 93 0 - 8.8-9.8 QB ALA 12 - QD TYR 72 far 0 73 0 - 9.1-30.1 HB2 LEU 96 - QD TYR 72 far 0 100 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 11125 from aliabs.peaks (1.68, 7.14, 131.84 ppm; 6.12 A): 3 out of 5 assignments used, quality = 0.98: HD3 LYS 36 + QD TYR 72 OK 85 87 100 98 4.2-5.1 10912/9022=85, ~11126=37...(7) HD2 LYS 36 + QD TYR 72 OK 71 89 100 80 5.5-6.5 ~11126=37...(5) HB2 LEU 69 + QD TYR 72 OK 60 60 100 100 4.9-6.1 3.2/11064=96...(37) HB2 LEU 70 - QD TYR 72 far 0 65 0 - 7.0-7.4 HB2 LEU 43 - QD TYR 72 far 0 71 0 - 8.0-9.2 Violated in 0 structures by 0.00 A. Peak 11126 from aliabs.peaks (1.36, 6.80, 117.87 ppm; 6.19 A): 2 out of 6 assignments used, quality = 0.83: HG2 LYS 36 + QE TYR 72 OK 75 87 100 86 3.8-5.9 10704/10840=35...(9) HB2 LEU 42 + QE TYR 72 OK 34 97 35 100 6.4-7.1 3.0/11895=84...(14) QB ALA 46 - QE TYR 72 far 11 76 15 - 6.6-7.2 QB ALA 15 - QE TYR 72 far 0 85 0 - 7.5-27.7 QB ALA 12 - QE TYR 72 far 0 100 0 - 8.6-31.4 QB ALA 29 - QE TYR 72 far 0 90 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 11127 from aliabs.peaks (2.94, 7.14, 131.84 ppm; 5.01 A): 1 out of 6 assignments used, quality = 1.00: HB2 CYS 45 + QD TYR 72 OK 100 100 100 100 2.9-3.4 9143=98, 1.8/9145=86...(22) HE2 LYS 36 - QD TYR 72 far 0 81 0 - 5.8-7.6 HE3 LYS 36 - QD TYR 72 far 0 81 0 - 6.3-7.7 HE2 LYS 26 - QD TYR 72 far 0 83 0 - 9.1-14.0 HE3 LYS 26 - QD TYR 72 far 0 76 0 - 9.6-15.2 HE2 LYS 39 - QD TYR 72 far 0 97 0 - 9.7-11.4 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 2 assignments used, quality = 1.00: HB3 ASP 71 + QD TYR 72 OK 100 100 100 100 3.8-4.9 1.8/11925=88...(10) HB3 ASP 47 - QD TYR 72 far 0 60 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 11129 from aliabs.peaks (3.10, 7.14, 131.84 ppm; 4.82 A): 2 out of 2 assignments used, quality = 0.98: HB3 CYS 45 + QD TYR 72 OK 96 96 100 100 3.1-3.9 9145=93, 9547/2.2=84...(18) HB3 TYR 76 + QD TYR 72 OK 55 63 95 92 4.4-5.9 9011/9022=67...(9) Violated in 0 structures by 0.00 A. Peak 11130 from aliabs.peaks (3.36, 6.80, 117.87 ppm; 5.72 A): 1 out of 2 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 far 0 93 0 - 7.5-8.2 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 1 assignment used, quality = 0.95: HA LEU 42 + QE TYR 72 OK 95 95 100 100 3.7-4.8 11119/2.2=93, 11895=91...(12) Violated in 0 structures by 0.00 A. Peak 11132 from aliabs.peaks (4.03, 6.80, 117.87 ppm; 5.49 A): 2 out of 6 assignments used, quality = 0.99: HA ILE 37 + QE TYR 72 OK 97 97 100 100 4.0-4.8 3.2/9021=89...(17) HA GLN 68 + QE TYR 72 OK 60 60 100 100 3.7-4.6 3.0/9550=87...(11) HB2 SER 38 - QE TYR 72 far 0 63 0 - 7.0-8.2 HA GLU 44 - QE TYR 72 far 0 97 0 - 8.0-8.5 HB2 SER 74 - QE TYR 72 far 0 73 0 - 8.5-10.7 HB3 SER 74 - QE TYR 72 far 0 63 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 11133 from aliabs.peaks (2.31, 7.14, 131.84 ppm; 5.59 A): 1 out of 4 assignments used, quality = 1.00: HG3 GLN 68 + QD TYR 72 OK 100 100 100 100 2.1-4.8 9482=100, 1.8/9481=96...(18) HG2 GLU 44 - QD TYR 72 far 15 100 15 - 5.6-8.3 HB VAL 77 - QD TYR 72 far 0 73 0 - 8.7-9.2 HG2 GLU 40 - QD TYR 72 far 0 68 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 11134 from aliabs.peaks (0.94, 4.54, 60.34 ppm; 4.75 A): 1 out of 5 assignments used, quality = 1.00: QG2 ILE 37 + HA TYR 72 OK 100 100 100 100 2.1-2.9 1094/10749=82...(24) QD1 LEU 49 - HA TYR 72 far 0 71 0 - 8.7-9.4 QG1 VAL 126 - HA TYR 72 far 0 85 0 - 9.2-9.8 QG2 VAL 126 - HA TYR 72 far 0 71 0 - 9.2-10.0 QD1 LEU 48 - HA TYR 72 far 0 63 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 11135 from aliabs.peaks (0.82, 4.54, 60.34 ppm; 5.81 A): 0 out of 5 assignments used, quality = 0.00: QG2 ILE 129 - HA TYR 72 far 0 100 0 - 6.8-7.7 QD1 LEU 70 - HA TYR 72 far 0 99 0 - 7.2-7.8 QG1 VAL 133 - HA TYR 72 far 0 83 0 - 8.2-9.0 QG2 ILE 32 - HA TYR 72 far 0 83 0 - 8.2-9.2 HG13 ILE 80 - HA TYR 72 far 0 99 0 - 8.6-9.7 Violated in 20 structures by 0.26 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 3.3-3.6 9115=93, 9091/3.0=87...(27) QD1 ILE 129 - HA TYR 72 far 0 93 0 - 8.2-9.2 Violated in 0 structures by 0.00 A. Peak 11137 from aliabs.peaks (0.91, 7.14, 131.84 ppm; 5.50 A): 2 out of 6 assignments used, quality = 0.92: QD1 LEU 49 + QD TYR 72 OK 74 100 95 78 5.4-6.4 10888/9145=27...(8) QG2 ILE 37 + QD TYR 72 OK 68 68 100 100 1.9-3.0 3.0/10839=89...(44) QD1 LEU 48 - QD TYR 72 far 15 100 15 - 5.8-6.9 QG2 VAL 20 - QD TYR 72 far 0 92 0 - 7.8-22.1 QD2 LEU 48 - QD TYR 72 far 0 95 0 - 7.8-9.1 QG1 VAL 20 - QD TYR 72 far 0 100 0 - 9.5-23.8 Violated in 0 structures by 0.00 A. Peak 11138 from aliabs.peaks (0.64, 7.14, 131.84 ppm; 5.50 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 42 + QD TYR 72 OK 99 99 100 100 3.4-3.8 9091/2.7=92...(32) QD1 ILE 129 - QD TYR 72 far 0 97 0 - 7.2-8.2 Violated in 0 structures by 0.00 A. Peak 11139 from aliabs.peaks (1.47, 4.54, 60.34 ppm; 6.06 A increased from 5.39 A): 1 out of 2 assignments used, quality = 0.96: HG LEU 42 + HA TYR 72 OK 96 96 100 100 5.5-5.9 2.1/11136=92...(26) HG3 LYS 36 - HA TYR 72 far 0 90 0 - 7.8-9.7 Violated in 0 structures by 0.00 A. Peak 11140 from aliabs.peaks (4.32, 4.54, 60.34 ppm; 5.36 A increased from 5.05 A): 3 out of 3 assignments used, quality = 0.99: HA TYR 76 + HA TYR 72 OK 90 96 100 94 4.9-5.4 10833/11134=69...(8) HA2 GLY 75 + HA TYR 72 OK 70 99 100 70 5.0-5.6 9604/10749=59, ~6975=13...(5) HA LEU 69 + HA TYR 72 OK 60 60 100 100 5.4-5.7 6973/2.9=56, 9531/3.4=55...(21) Violated in 0 structures by 0.00 A. Peak 11141 from aliabs.peaks (4.02, 4.54, 60.34 ppm; 5.70 A increased from 5.36 A): 1 out of 3 assignments used, quality = 1.00: HA ILE 37 + HA TYR 72 OK 100 100 100 100 4.9-6.1 1113/10749=93...(19) HA GLN 68 - HA TYR 72 far 0 89 0 - 6.5-7.2 HB2 SER 38 - HA TYR 72 far 0 90 0 - 8.4-9.3 Violated in 1 structures by 0.02 A. Peak 11142 from aliabs.peaks (0.81, 4.38, 64.33 ppm; 4.67 A): 1 out of 11 assignments used, quality = 0.94: QG2 ILE 129 + HA CYS 73 OK 94 96 100 98 3.2-4.0 9083/9570=65...(21) QD2 LEU 119 - HA PRO 113 poor 10 35 30 - 3.5-5.8 QD1 LEU 70 - HA CYS 73 far 0 100 0 - 5.7-6.5 HG13 ILE 80 - HA CYS 73 far 0 100 0 - 6.1-7.5 QG1 VAL 133 - HA CYS 73 far 0 65 0 - 6.5-7.3 QD1 LEU 53 - HA PRO 113 far 0 40 0 - 7.3-10.5 QG2 ILE 80 - HA CYS 73 far 0 100 0 - 7.8-8.6 QD1 LEU 122 - HA CYS 73 far 0 99 0 - 8.8-11.5 QD2 LEU 49 - HA CYS 73 far 0 92 0 - 9.1-9.8 QD2 LEU 122 - HA CYS 73 far 0 68 0 - 9.7-12.3 QD1 LEU 122 - HA PRO 113 far 0 53 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 11143 from aliabs.peaks (0.82, 2.74, 27.42 ppm; 6.80 A): 2 out of 7 assignments used, quality = 1.00: QG2 ILE 129 + HB2 CYS 73 OK 100 100 100 100 4.0-5.3 11142/3.0=96, ~10462=57...(15) QD1 LEU 70 + HB2 CYS 73 OK 99 99 100 100 3.2-4.1 9497/1.8=99, 3.8/2232=95...(15) QD1 LEU 122 - HB2 CYS 73 far 5 95 5 - 7.2-9.5 QD2 LEU 49 - HB2 CYS 73 far 0 78 0 - 7.8-8.3 QG1 VAL 133 - HB2 CYS 73 far 0 83 0 - 8.8-9.8 HG13 ILE 80 - HB2 CYS 73 far 0 99 0 - 8.9-10.4 QG2 ILE 80 - HB2 CYS 73 far 0 100 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 11144 from aliabs.peaks (0.82, 3.31, 27.42 ppm; 5.24 A): 2 out of 7 assignments used, quality = 1.00: QG2 ILE 129 + HB3 CYS 73 OK 99 100 100 99 3.1-4.2 11142/3.0=76, 11242=34...(20) QD1 LEU 70 + HB3 CYS 73 OK 99 99 100 100 4.0-5.0 9490/1.8=93, 9497=85...(14) QD1 LEU 122 - HB3 CYS 73 far 0 95 0 - 7.5-10.3 HG13 ILE 80 - HB3 CYS 73 far 0 99 0 - 7.6-9.3 QG1 VAL 133 - HB3 CYS 73 far 0 83 0 - 8.0-9.2 QD2 LEU 49 - HB3 CYS 73 far 0 78 0 - 8.4-9.0 QG2 ILE 80 - HB3 CYS 73 far 0 100 0 - 8.5-9.7 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 2.0-2.3 2.2/9538=79...(21) Violated in 0 structures by 0.00 A. Peak 11146 from aliabs.peaks (6.49, 4.38, 64.33 ppm; 4.91 A): 1 out of 2 assignments used, quality = 0.96: QD TYR 76 + HA CYS 73 OK 96 97 100 98 3.7-5.0 2.6/11137=59...(13) QE TYR 76 - HA CYS 73 far 0 92 0 - 5.8-6.9 Violated in 2 structures by 0.01 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 4.0-5.8 9538/3.0=98, ~11145=78...(11) Violated in 0 structures by 0.00 A. Peak 11148 from aliabs.peaks (7.31, 3.31, 27.42 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.98: HZ PHE 89 + HB3 CYS 73 OK 97 97 100 100 3.0-5.0 9538/3.0=100...(15) HE ARG 90 + HB3 CYS 73 OK 35 76 85 54 4.1-8.2 9923/9581=19...(5) Violated in 0 structures by 0.00 A. Peak 11150 from aliabs.peaks (1.38, 4.29, 61.45 ppm; 3.85 A increased from 3.63 A): 1 out of 23 assignments used, quality = 0.90: HG3 LYS 26 + HA THR 25 OK 90 100 100 90 3.1-4.0 6253/582=67, 3.6/9587=26...(10) QB ALA 15 - HA SER 74 far 5 99 5 - 4.4-29.7 QB ALA 15 - HA PHE 87 far 0 29 0 - 4.5-35.2 QB ALA 16 - HA THR 18 far 0 73 0 - 4.6-7.0 HG2 LYS 19 - HA THR 18 far 0 70 0 - 4.7-5.2 QB ALA 15 - HA THR 18 far 0 77 0 - 5.3-9.1 QB ALA 29 - HA THR 25 far 0 100 0 - 5.3-11.5 QB ALA 28 - HA THR 25 far 0 100 0 - 5.6-10.0 HG2 LYS 24 - HA THR 25 far 0 99 0 - 6.3-6.5 QB ALA 16 - HA SER 74 far 0 96 0 - 6.5-32.4 HG2 LYS 19 - HA SER 74 far 0 94 0 - 6.7-33.1 QB ALA 12 - HA THR 18 far 0 51 0 - 7.0-17.2 HG2 LYS 24 - HA THR 18 far 0 75 0 - 7.5-12.7 HG3 LYS 31 - HA THR 18 far 0 77 0 - 7.6-27.1 QB ALA 16 - HA PHE 87 far 0 27 0 - 7.9-37.2 QB ALA 12 - HA SER 74 far 0 74 0 - 8.1-27.1 QB ALA 28 - HA THR 18 far 0 77 0 - 8.5-20.9 QB ALA 15 - HA THR 25 far 0 100 0 - 8.7-19.0 HG2 LYS 19 - HA THR 25 far 0 96 0 - 8.7-15.3 HG2 LYS 19 - HA PHE 87 far 0 26 0 - 8.7-38.9 HG LEU 96 - HA SER 74 far 0 90 0 - 8.9-9.6 HG3 LYS 31 - HA THR 25 far 0 100 0 - 9.2-16.6 HG3 LYS 26 - HA THR 18 far 0 77 0 - 9.4-18.6 Violated in 3 structures by 0.02 A. Peak 11151 from aliabs.peaks (1.76, 4.29, 61.45 ppm; 4.76 A increased from 4.23 A): 2 out of 16 assignments used, quality = 0.97: HB2 LYS 24 + HA THR 25 OK 83 83 100 100 4.2-5.0 6232/3.0=72...(15) HB2 LYS 26 + HA THR 25 OK 80 85 95 100 4.5-5.6 6250/582=83...(18) HG3 ARG 90 - HA SER 74 poor 16 63 25 - 3.7-6.6 HB2 LYS 19 - HA SER 74 far 0 78 0 - 5.6-34.6 HB2 LYS 19 - HA THR 18 far 0 55 0 - 6.0-6.2 HB2 ARG 23 - HA THR 25 far 0 96 0 - 6.8-9.4 HB2 LYS 31 - HA THR 25 far 0 81 0 - 7.1-15.0 HG3 ARG 90 - HA THR 18 far 0 43 0 - 7.2-34.0 HB2 LYS 24 - HA THR 18 far 0 57 0 - 7.3-14.1 HB2 LYS 19 - HA THR 25 far 0 81 0 - 7.6-17.0 HB2 ARG 23 - HA THR 18 far 0 70 0 - 7.6-9.8 HB ILE 80 - HA SER 74 far 0 58 0 - 8.0-8.9 HG13 ILE 129 - HA SER 74 far 0 80 0 - 8.3-11.2 HB2 LYS 24 - HA SER 74 far 0 80 0 - 8.6-21.9 HG13 ILE 129 - HA PHE 87 far 0 20 0 - 9.1-13.1 HB2 ARG 23 - HA SER 74 far 0 94 0 - 9.3-25.5 Violated in 0 structures by 0.00 A. Peak 11152 from aliabs.peaks (0.28, 4.31, 59.75 ppm; 6.04 A): 1 out of 2 assignments used, quality = 0.96: QD1 ILE 80 + HA TYR 76 OK 96 96 100 100 5.1-5.4 9736=83, 9746/4.7=80...(24) QG2 VAL 93 - HA TYR 76 far 0 97 0 - 7.5-7.8 Violated in 0 structures by 0.00 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 3.8-5.3 9746/4.5=96, 9736/3.0=93...(23) QG2 VAL 93 + HB2 TYR 76 OK 86 87 100 99 5.2-6.5 9923/11165=47...(11) QG2 VAL 93 - HB2 ASP 131 far 0 84 0 - 8.3-8.9 QD1 ILE 80 - HB2 ASP 131 far 0 98 0 - 8.8-9.1 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 99 5.2-7.0 11326/11167=67...(8) QD1 ILE 80 + HB3 TYR 76 OK 92 92 100 100 4.0-5.5 9746/4.5=82...(20) 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 2 assignments used, quality = 1.00: QG2 ILE 37 + HA TYR 76 OK 100 100 100 100 3.1-3.7 10833=99, 10667/3.0=73...(21) QG1 VAL 20 - HA TYR 76 far 0 57 0 - 9.7-25.2 Violated in 0 structures by 0.00 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 4.9-5.3 7043/3.6=99, 9611/3.0=92...(22) QG2 VAL 133 + HA TYR 76 OK 85 90 95 100 5.5-6.6 10555/4.7=73...(9) Violated in 0 structures by 0.00 A. Peak 11157 from aliabs.peaks (0.84, 2.76, 40.83 ppm; 5.16 A): 3 out of 9 assignments used, quality = 0.99: QG2 ILE 129 + HB2 TYR 76 OK 86 96 95 95 4.8-6.0 9083/9617=68...(12) QG1 VAL 133 + HB2 TYR 76 OK 73 100 75 98 5.2-6.1 10558/4.5=70...(11) HG13 ILE 80 + HB2 TYR 76 OK 68 73 95 97 4.2-6.3 ~9736=45, ~11152=39...(15) QG2 ILE 129 - HB2 ASP 131 far 0 93 0 - 6.5-6.9 QG1 VAL 133 - HB2 ASP 131 far 0 99 0 - 6.5-7.9 QG2 ILE 80 - HB2 TYR 76 far 0 81 0 - 6.6-7.8 QD2 LEU 70 - HB2 TYR 76 far 0 81 0 - 7.9-8.8 QD1 LEU 70 - HB2 TYR 76 far 0 73 0 - 8.1-9.1 QG2 ILE 32 - HB2 TYR 76 far 0 100 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 11158 from aliabs.peaks (0.81, 3.13, 40.83 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: HG13 ILE 80 + HB3 TYR 76 OK 100 100 100 100 5.3-6.5 ~9736=73, ~11152=67...(14) QG2 ILE 129 + HB3 TYR 76 OK 98 98 100 100 4.9-6.7 9083/9092=95...(10) QG1 VAL 133 + HB3 TYR 76 OK 73 73 100 100 5.4-6.5 10558/4.5=59...(12) QG2 ILE 80 - HB3 TYR 76 far 5 100 5 - 7.0-7.9 QD1 LEU 70 - HB3 TYR 76 far 0 100 0 - 8.3-9.6 QG2 ILE 32 - HB3 TYR 76 far 0 73 0 - 8.9-10.3 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 0 99 0 - 9.0-10.6 Violated in 20 structures by 4.14 A. Peak 11160 from aliabs.peaks (4.39, 3.13, 40.83 ppm; 5.47 A): 1 out of 4 assignments used, quality = 0.97: HA CYS 73 + HB3 TYR 76 OK 97 97 100 100 3.1-4.6 11146/2.6=80...(16) HA ASP 78 - HB3 TYR 76 far 0 100 0 - 7.6-8.4 HA ASP 71 - HB3 TYR 76 far 0 60 0 - 7.7-8.1 HA SER 33 - HB3 TYR 76 far 0 100 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 11161 from aliabs.peaks (1.13, 2.77, 40.78 ppm; 4.25 A increased from 4.00 A): 1 out of 5 assignments used, quality = 0.92: QG2 VAL 132 + HB2 ASP 131 OK 92 92 100 100 4.0-4.2 10518/1.8=70...(18) QG1 VAL 132 - HB2 ASP 131 far 0 100 0 - 6.2-6.3 HG2 LYS 39 - HB2 TYR 76 far 0 95 0 - 7.2-9.8 QG1 VAL 132 - HB2 TYR 76 far 0 99 0 - 7.7-8.8 QG2 VAL 132 - HB2 TYR 76 far 0 89 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 11162 from aliabs.peaks (1.97, 6.48, 116.85 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: HB ILE 37 + QE TYR 76 OK 100 100 100 100 4.4-5.0 2.9/11888=74, ~10841=72...(12) HB3 PRO 81 + QE TYR 76 OK 48 78 100 62 6.2-7.2 9825/9746=21...(7) HB ILE 129 - QE TYR 76 far 3 60 5 - 7.3-8.3 HB3 LYS 86 - QE TYR 76 far 0 89 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. Peak 11163 from aliabs.peaks (1.69, 6.48, 116.85 ppm; 6.15 A): 2 out of 4 assignments used, quality = 0.99: HD2 LYS 39 + QE TYR 76 OK 93 93 100 100 5.4-6.6 10851=76, 3.6/9037=69...(9) HD3 LYS 39 + QE TYR 76 OK 80 81 100 100 4.6-6.5 1.8/10851=77...(9) HB2 LEU 43 - QE TYR 76 far 10 97 10 - 6.7-8.0 HG2 ARG 135 - QE TYR 76 far 0 98 0 - 7.1-9.0 Violated in 0 structures by 0.00 A. Peak 11164 from aliabs.peaks (7.33, 4.31, 59.75 ppm; 6.07 A increased from 5.40 A): 1 out of 2 assignments used, quality = 0.81: HZ PHE 89 + HA TYR 76 OK 81 81 100 100 5.6-6.2 11139/3.0=91...(8) HE ARG 90 - HA TYR 76 far 0 96 0 - 9.2-11.2 Violated in 1 structures by 0.00 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 2.6-4.3 11139/7028=72...(13) HE ARG 90 - HB2 TYR 76 far 0 90 0 - 8.2-10.0 HZ PHE 89 - HB2 ASP 131 far 0 86 0 - 9.9-10.8 Violated in 0 structures by 0.00 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 2.8-4.7 2.2/11167=69...(11) Violated in 0 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 3.6-5.2 2.2/11166=84...(15) Violated in 0 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 3.3-4.5 10552/10555=90...(16) Violated in 0 structures by 0.00 A. Peak 11169 from aliabs.peaks (6.49, 1.19, 22.02 ppm; 4.65 A increased from 4.38 A): 1 out of 2 assignments used, quality = 0.93: QD TYR 76 + QG2 VAL 77 OK 93 93 100 100 4.4-4.7 11145/2.1=54...(24) QE TYR 76 - QG2 VAL 77 far 0 97 0 - 5.4-5.8 Violated in 3 structures by 0.00 A. Peak 11170 from aliabs.peaks (6.47, 1.05, 19.58 ppm; 6.80 A increased from 5.97 A): 1 out of 1 assignment used, quality = 0.99: QE TYR 76 + QG1 VAL 77 OK 99 99 100 100 6.5-6.8 ~11169=89, 9669/3.2=86...(17) Violated in 1 structures by 0.00 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 5.0-5.4 5.0/7043=79, 4.6/9611=68...(20) Violated in 0 structures by 0.00 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 2.5-4.0 11841=98, 11842/2.1=69...(18) QD PHE 87 - QG2 VAL 77 far 0 68 0 - 6.0-6.4 Violated in 0 structures by 0.00 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 2.3-4.3 11842=99, 9676/2.1=89...(17) QD PHE 87 - QG1 VAL 77 far 0 68 0 - 7.4-8.4 Violated in 0 structures by 0.00 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 4.4-5.7 11841/2.1=94...(15) QD PHE 87 - HB VAL 77 far 0 85 0 - 9.2-9.7 Violated in 3 structures by 0.05 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 4.3-4.8 2.6/11729=94...(23) QE TYR 76 + HB VAL 77 OK 60 60 100 100 6.2-6.9 ~11169=84, 4.5/11729=76...(18) Violated in 0 structures by 0.00 A. Peak 11176 from aliabs.peaks (2.22, 3.45, 65.83 ppm; 5.57 A): 2 out of 9 assignments used, quality = 0.83: HB3 GLU 128 + HA ILE 129 OK 77 77 100 100 5.1-5.5 7865/2.9=84, ~7864=72...(20) HB VAL 133 + HA ILE 129 OK 27 46 60 99 4.8-6.8 2.1/10479=80...(11) HG2 GLU 91 - HA ILE 129 far 0 83 0 - 6.6-9.3 HB3 LEU 96 - HA ILE 129 far 0 57 0 - 6.8-7.6 HB VAL 133 - HA VAL 77 far 0 60 0 - 7.5-8.6 HB2 GLN 82 - HA VAL 77 far 0 97 0 - 7.9-10.2 HB3 GLN 127 - HA ILE 129 far 0 86 0 - 8.1-8.6 HB2 PRO 81 - HA VAL 77 far 0 78 0 - 9.0-9.3 HG2 GLU 97 - HA ILE 129 far 0 57 0 - 9.7-10.6 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 10 assignments used, quality = 1.00: HD2 LYS 86 + HA VAL 77 OK 99 99 100 100 4.3-5.3 11180/3.2=85...(41) QB ALA 88 + HA ILE 129 OK 44 86 55 92 4.9-6.1 11370/11369=46...(8) HD3 LYS 86 + HA VAL 77 OK 24 97 25 100 5.5-6.1 ~11180=61, ~11742=46...(42) HB2 LEU 69 - HA ILE 129 far 0 77 0 - 7.7-9.1 HD2 LYS 95 - HA ILE 129 far 0 82 0 - 7.9-11.7 QB ALA 88 - HA VAL 77 far 0 100 0 - 7.9-8.2 HG LEU 43 - HA ILE 129 far 0 65 0 - 8.0-9.3 HD3 LYS 19 - HA VAL 77 far 0 92 0 - 9.1-37.0 HD3 LYS 95 - HA ILE 129 far 0 86 0 - 9.3-11.5 HG LEU 43 - HA VAL 77 far 0 83 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 11178 from aliabs.peaks (1.73, 2.34, 31.42 ppm; 5.17 A): 2 out of 6 assignments used, quality = 1.00: HB ILE 80 + HB VAL 77 OK 100 100 100 100 4.9-5.4 9645/3.0=65, ~9649=62...(33) HG3 ARG 90 + HB VAL 77 OK 100 100 100 100 3.5-5.1 11303/2.1=94...(28) HG13 ILE 129 - HB VAL 77 far 0 97 0 - 6.6-9.8 HB2 LYS 19 - HB VAL 77 far 0 97 0 - 7.7-36.1 HB2 LEU 70 - HB VAL 77 far 0 63 0 - 9.3-9.8 HB2 ARG 23 - HB VAL 77 far 0 85 0 - 9.8-27.3 Violated in 0 structures by 0.00 A. Peak 11179 from aliabs.peaks (1.67, 2.34, 31.42 ppm; 5.99 A increased from 5.32 A): 1 out of 7 assignments used, quality = 0.97: HD2 LYS 86 + HB VAL 77 OK 97 97 100 100 5.5-5.8 11180/2.1=98, ~11742=80...(41) HD3 LYS 86 - HB VAL 77 far 0 95 0 - 6.7-7.2 HD3 LYS 19 - HB VAL 77 far 0 87 0 - 7.1-36.8 QB ALA 88 - HB VAL 77 far 0 100 0 - 8.1-8.6 HD2 LYS 19 - HB VAL 77 far 0 90 0 - 8.4-37.0 HB2 LEU 69 - HB VAL 77 far 0 90 0 - 9.3-9.7 HB2 LEU 123 - HB2 PRO 117 far 0 31 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 11180 from aliabs.peaks (1.66, 1.05, 19.58 ppm; 3.73 A): 1 out of 10 assignments used, quality = 1.00: HD2 LYS 86 + QG1 VAL 77 OK 100 100 100 100 2.9-3.7 11336=54, 3.0/9650=54...(36) HD3 LYS 86 - QG1 VAL 77 far 10 99 10 - 4.1-5.0 HD3 LYS 19 - QG1 VAL 77 far 0 97 0 - 4.5-29.1 HD2 LYS 19 - QG1 VAL 77 far 0 98 0 - 5.5-29.1 HD3 LYS 24 - QG1 VAL 77 far 0 99 0 - 7.7-19.3 QB ALA 88 - QG1 VAL 77 far 0 100 0 - 7.8-8.1 HD2 LYS 24 - QG1 VAL 77 far 0 100 0 - 8.5-20.6 HB2 LEU 69 - QG1 VAL 77 far 0 98 0 - 9.3-9.8 HD3 LYS 95 - QG1 VAL 77 far 0 100 0 - 9.4-12.7 HD3 LYS 26 - QG1 VAL 77 far 0 100 0 - 10.0-13.6 Violated in 1 structures by 0.00 A. Peak 11181 from aliabs.peaks (1.67, 1.19, 22.02 ppm; 3.61 A increased from 3.40 A): 2 out of 10 assignments used, quality = 0.99: HD2 LYS 86 + QG2 VAL 77 OK 93 93 100 100 3.2-3.6 11180/2.1=60...(34) HD3 LYS 86 + QG2 VAL 77 OK 89 89 100 100 3.9-4.2 3.0/11742=57...(34) QB ALA 88 - QG2 VAL 77 far 0 99 0 - 5.7-6.0 HD3 LYS 19 - QG2 VAL 77 far 0 78 0 - 6.4-31.4 HD2 LYS 19 - QG2 VAL 77 far 0 83 0 - 7.1-31.4 HD3 LYS 95 - QG2 VAL 77 far 0 97 0 - 8.5-11.2 HB2 LEU 69 - QG2 VAL 77 far 0 83 0 - 9.1-9.6 HD2 LYS 95 - QG2 VAL 77 far 0 90 0 - 9.4-11.1 HG LEU 43 - QG2 VAL 77 far 0 65 0 - 9.6-10.4 HD3 LYS 24 - QG2 VAL 77 far 0 89 0 - 9.6-21.8 Violated in 0 structures by 0.00 A. Peak 11182 from aliabs.peaks (1.45, 1.19, 22.02 ppm; 3.66 A increased from 3.44 A): 1 out of 3 assignments used, quality = 0.78: HG3 LYS 86 + QG2 VAL 77 OK 78 78 100 100 1.9-3.5 1.8/11340=58...(27) HG3 LYS 19 - QG2 VAL 77 far 0 90 0 - 4.9-30.4 QB ALA 92 - QG2 VAL 77 far 0 73 0 - 6.1-6.5 Violated in 0 structures by 0.00 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: QB ALA 15 - QG2 VAL 77 far 0 100 0 - 6.2-27.1 HG2 LYS 19 - QG2 VAL 77 far 0 99 0 - 6.2-29.6 QB ALA 12 - QG2 VAL 77 far 0 85 0 - 6.9-25.8 HB2 LEU 42 - QG2 VAL 77 far 0 100 0 - 8.3-8.9 QB ALA 16 - QG2 VAL 77 far 0 95 0 - 8.4-29.0 HG3 LYS 95 - QG2 VAL 77 far 0 99 0 - 8.8-11.5 HG2 LYS 95 - QG2 VAL 77 far 0 97 0 - 9.2-12.0 HG LEU 96 - QG2 VAL 77 far 0 85 0 - 9.4-9.9 Violated in 20 structures by 3.55 A. Peak 11184 from aliabs.peaks (1.39, 1.05, 19.58 ppm; 4.61 A): 1 out of 9 assignments used, quality = 0.83: HG2 LYS 86 + QG1 VAL 77 OK 83 83 100 100 2.5-3.9 1.8/9650=93...(33) HG2 LYS 19 - QG1 VAL 77 far 4 76 5 - 4.9-27.3 QB ALA 34 - QG1 VAL 77 lone 0 81 25 2 4.9-6.7 QB ALA 15 - QG1 VAL 77 far 0 96 0 - 5.5-25.1 QB ALA 16 - QG1 VAL 77 far 0 100 0 - 7.0-27.0 HG3 LYS 26 - QG1 VAL 77 far 0 96 0 - 8.7-14.8 HB2 LEU 42 - QG1 VAL 77 far 0 83 0 - 8.8-9.1 HG LEU 96 - QG1 VAL 77 far 0 100 0 - 9.4-10.3 HG2 LYS 24 - QG1 VAL 77 far 0 89 0 - 9.9-19.2 Violated in 0 structures by 0.00 A. Peak 11185 from aliabs.peaks (3.79, 1.05, 19.58 ppm; 5.00 A increased from 4.45 A): 1 out of 2 assignments used, quality = 0.97: HA ARG 90 + QG1 VAL 77 OK 97 97 100 100 4.6-4.8 11192/2.1=95...(16) HA VAL 133 - QG1 VAL 77 far 0 83 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 11186 from aliabs.peaks (3.89, 1.05, 19.58 ppm; 5.03 A increased from 4.23 A): 2 out of 5 assignments used, quality = 1.00: HA LYS 86 + QG1 VAL 77 OK 100 100 100 100 4.3-4.9 11193/2.1=96...(24) HA3 GLY 75 + QG1 VAL 77 OK 98 99 100 98 5.0-5.5 3.5/9611=68...(8) HB2 SER 94 - QG1 VAL 77 far 0 95 0 - 6.5-7.8 HA LEU 70 - QG1 VAL 77 far 0 100 0 - 7.1-7.9 HB2 SER 33 - QG1 VAL 77 far 0 81 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 11187 from aliabs.peaks (4.07, 1.05, 19.58 ppm; 5.19 A increased from 4.15 A): 2 out of 4 assignments used, quality = 1.00: HB3 SER 74 + QG1 VAL 77 OK 98 99 100 99 4.0-5.3 3.0/11188=91, ~11195=61...(8) HB2 SER 74 + QG1 VAL 77 OK 94 96 100 99 4.2-5.5 3.0/11188=91, ~11195=61...(8) HA PHE 89 - QG1 VAL 77 far 0 87 0 - 6.7-7.1 HA ALA 92 - QG1 VAL 77 far 0 95 0 - 9.8-10.0 Violated in 0 structures by 0.00 A. Peak 11188 from aliabs.peaks (4.29, 1.05, 19.58 ppm; 3.67 A): 1 out of 12 assignments used, quality = 0.98: HA SER 74 + QG1 VAL 77 OK 98 99 100 98 2.4-3.3 9592=75, 11195/2.1=65...(18) HA ALA 21 - QG1 VAL 77 far 0 100 0 - 4.5-23.0 HA TYR 76 - QG1 VAL 77 far 0 95 0 - 4.9-5.3 HA PHE 87 - QG1 VAL 77 far 0 73 0 - 5.9-6.8 HA LYS 19 - QG1 VAL 77 far 0 76 0 - 6.2-26.7 HA THR 18 - QG1 VAL 77 far 0 95 0 - 6.4-26.4 HA ALA 16 - QG1 VAL 77 far 0 87 0 - 6.4-30.8 HA ALA 15 - QG1 VAL 77 far 0 92 0 - 7.3-31.2 HA ALA 12 - QG1 VAL 77 far 0 98 0 - 7.5-29.3 HA ARG 23 - QG1 VAL 77 far 0 90 0 - 7.7-19.2 HA THR 25 - QG1 VAL 77 far 0 100 0 - 7.9-15.0 HA LEU 22 - QG1 VAL 77 far 0 60 0 - 8.1-20.9 Violated in 0 structures by 0.00 A. Peak 11189 from aliabs.peaks (4.37, 1.05, 19.58 ppm; 3.72 A): 1 out of 3 assignments used, quality = 0.96: HA ASP 78 + QG1 VAL 77 OK 96 96 100 100 2.7-2.9 9695=81, 2.9/7052=72...(21) HA CYS 73 - QG1 VAL 77 far 0 100 0 - 4.8-5.5 HA LEU 69 - QG1 VAL 77 far 0 73 0 - 9.4-9.9 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 2 assignments used, quality = 0.00: HA VAL 93 - QG2 VAL 77 far 0 92 0 - 6.8-7.3 HB3 HIS 10 - QG2 VAL 77 far 0 71 0 - 8.9-34.9 Violated in 20 structures by 2.88 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 1.8-2.4 2.7/9677=73, 4.5/9676=42...(23) HB2 PHE 89 + QG2 VAL 77 OK 65 65 100 100 3.1-3.8 2.7/9677=73, 4.5/9676=42...(25) HB3 TYR 72 - QG2 VAL 77 far 0 100 0 - 8.2-8.7 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 4 assignments used, quality = 0.96: HA ARG 90 + QG2 VAL 77 OK 96 97 100 100 3.3-3.7 3.8/9662=54...(15) HA VAL 133 - QG2 VAL 77 far 0 83 0 - 6.6-7.1 HA SER 130 - QG2 VAL 77 far 0 92 0 - 8.3-9.1 HB3 SER 9 - QG2 VAL 77 far 0 96 0 - 10.0-38.3 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 5 assignments used, quality = 0.99: HA LYS 86 + QG2 VAL 77 OK 99 99 100 100 2.0-2.4 9818=67, 3.0/9663=54...(24) HD2 PRO 81 - QG2 VAL 77 far 0 65 0 - 5.9-6.8 HB2 SER 94 - QG2 VAL 77 far 0 83 0 - 6.2-7.5 HA3 GLY 75 - QG2 VAL 77 far 0 93 0 - 7.2-7.5 HA LEU 70 - QG2 VAL 77 far 0 100 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 11194 from aliabs.peaks (4.04, 1.19, 22.02 ppm; 4.58 A): 0 out of 4 assignments used, quality = 0.00: HB2 SER 74 - QG2 VAL 77 far 0 89 0 - 5.9-7.5 HB3 SER 74 - QG2 VAL 77 far 0 81 0 - 5.9-7.3 HD3 PRO 81 - QG2 VAL 77 far 0 100 0 - 6.9-7.5 HA ALA 92 - QG2 VAL 77 far 0 90 0 - 8.2-8.5 Violated in 20 structures by 0.96 A. Peak 11195 from aliabs.peaks (4.29, 1.19, 22.02 ppm; 3.83 A): 1 out of 11 assignments used, quality = 0.50: HA SER 74 + QG2 VAL 77 OK 50 100 55 91 4.2-5.1 11188/2.1=73...(14) HA PHE 87 - QG2 VAL 77 far 12 81 15 - 4.2-4.9 HA ALA 21 - QG2 VAL 77 far 0 100 0 - 6.0-25.4 HA TYR 76 - QG2 VAL 77 far 0 90 0 - 6.0-6.1 HA THR 18 - QG2 VAL 77 far 0 97 0 - 8.0-28.7 HA ALA 12 - QG2 VAL 77 far 0 99 0 - 8.1-30.9 HA ALA 16 - QG2 VAL 77 far 0 92 0 - 8.2-33.2 HA LYS 19 - QG2 VAL 77 far 0 83 0 - 8.3-28.9 HA ALA 15 - QG2 VAL 77 far 0 96 0 - 8.9-33.7 HA LEU 22 - QG2 VAL 77 far 0 68 0 - 9.2-23.1 HA ARG 23 - QG2 VAL 77 far 0 95 0 - 9.7-21.6 Violated in 20 structures by 0.70 A. Peak 11196 from aliabs.peaks (3.06, 1.19, 22.02 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: HE2 LYS 86 + QG2 VAL 77 OK 100 100 100 100 1.8-4.0 11875=98, 1.8/9660=71...(20) Violated in 2 structures by 0.01 A. Peak 11197 from aliabs.peaks (2.71, 1.19, 22.02 ppm; 5.53 A increased from 5.20 A): 2 out of 4 assignments used, quality = 0.98: HB3 ASP 78 + QG2 VAL 77 OK 93 93 100 100 5.0-5.4 11206=90, 7056/7053=84...(21) HB2 ASN 85 + QG2 VAL 77 OK 76 83 100 92 5.3-6.0 9723/9649=84...(4) HB2 CYS 73 - QG2 VAL 77 far 0 60 0 - 6.2-6.6 HB2 CYS 125 - QG2 VAL 77 far 0 81 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 11198 from aliabs.peaks (2.64, 1.19, 22.02 ppm; 5.10 A): 0 out of 0 assignments used, quality = 0.00: Peak 11199 from aliabs.peaks (2.20, 1.19, 22.02 ppm; 5.54 A): 0 out of 5 assignments used, quality = 0.00: HG2 GLU 91 - QG2 VAL 77 far 0 97 0 - 6.2-7.9 HB2 GLN 82 - QG2 VAL 77 far 0 99 0 - 7.1-8.6 HB VAL 133 - QG2 VAL 77 far 0 97 0 - 7.4-8.5 HB2 PRO 81 - QG2 VAL 77 far 0 89 0 - 9.0-9.4 HB3 GLU 97 - QG2 VAL 77 far 0 85 0 - 9.9-11.3 Violated in 20 structures by 0.67 A. Peak 11200 from aliabs.peaks (1.92, 1.19, 22.02 ppm; 4.01 A increased from 3.56 A): 2 out of 6 assignments used, quality = 0.99: HB2 ARG 90 + QG2 VAL 77 OK 96 96 100 100 2.7-3.9 2.9/9662=70...(23) HB3 ARG 90 + QG2 VAL 77 OK 68 68 100 100 3.8-4.2 2.9/9662=70...(23) HB2 MET 11 - QG2 VAL 77 far 0 99 0 - 6.4-33.6 HB3 ARG 84 - QG2 VAL 77 far 0 81 0 - 8.8-9.3 HB3 PRO 81 - QG2 VAL 77 far 0 65 0 - 8.9-9.5 HB2 LYS 95 - QG2 VAL 77 far 0 96 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 11201 from aliabs.peaks (3.07, 1.05, 19.58 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.99: HE2 LYS 86 + QG1 VAL 77 OK 99 99 100 100 2.0-4.3 11876=87, 11875/2.1=75...(20) Violated in 3 structures by 0.01 A. Peak 11202 from aliabs.peaks (3.33, 1.05, 19.58 ppm; 4.92 A increased from 4.63 A): 2 out of 4 assignments used, quality = 0.99: HB3 PHE 89 + QG1 VAL 77 OK 99 99 100 100 4.4-5.0 2.7/9674=84, ~9677=65...(23) HB3 CYS 73 + QG1 VAL 77 OK 47 81 90 65 4.8-5.6 11752/2.1=21...(10) HB2 PHE 89 - QG1 VAL 77 far 0 95 0 - 5.7-6.3 HB3 TYR 72 - QG1 VAL 77 far 0 97 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 11203 from aliabs.peaks (0.82, 1.19, 22.02 ppm; 3.95 A increased from 3.51 A): 2 out of 7 assignments used, quality = 1.00: QG2 ILE 80 + QG2 VAL 77 OK 100 100 100 100 3.6-4.1 3.1/9649=68...(48) HG13 ILE 80 + QG2 VAL 77 OK 85 100 85 100 3.9-4.7 2.1/9649=85, ~9648=42...(44) QG2 ILE 129 - QG2 VAL 77 far 15 99 15 - 4.4-5.1 QG1 VAL 133 - QG2 VAL 77 far 0 76 0 - 6.3-7.4 QD1 LEU 70 - QG2 VAL 77 far 0 100 0 - 7.0-7.9 QD2 LEU 22 - QG2 VAL 77 far 0 71 0 - 8.3-20.0 QG2 ILE 32 - QG2 VAL 77 far 0 76 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 11204 from aliabs.peaks (1.17, 4.38, 55.71 ppm; 4.43 A): 1 out of 3 assignments used, quality = 0.90: QG2 VAL 77 + HA ASP 78 OK 90 90 100 100 4.1-4.5 2.1/9695=85, 7053/2.9=65...(22) QG2 THR 18 - HA ASP 78 far 0 100 0 - 7.0-26.3 QG2 THR 25 - HA ASP 78 far 0 99 0 - 8.1-16.2 Violated in 2 structures by 0.01 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 5.4-5.9 2.1/9692=100...(18) QG2 THR 25 - HB2 ASP 78 far 5 97 5 - 6.1-14.0 QG2 THR 18 - HB2 ASP 78 far 0 100 0 - 7.8-25.1 HG12 ILE 32 - HB2 ASP 78 far 0 96 0 - 9.1-13.4 Violated in 0 structures by 0.00 A. Peak 11206 from aliabs.peaks (1.19, 2.72, 39.87 ppm; 5.47 A increased from 4.86 A): 1 out of 9 assignments used, quality = 1.00: QG2 VAL 77 + HB3 ASP 78 OK 100 100 100 100 5.0-5.4 2.1/9693=90...(22) QG2 THR 25 - HB3 ASP 35 far 3 51 5 - 5.6-11.4 QG2 THR 25 - HB3 ASP 78 far 0 97 0 - 6.2-14.7 QG2 THR 18 - HB3 ASP 78 far 0 76 0 - 7.5-25.0 QB ALA 41 - HB3 ASP 35 far 0 50 0 - 8.9-10.0 HG3 LYS 39 - HB2 ASP 47 far 0 58 0 - 9.0-12.8 QG2 THR 18 - HB3 ASP 35 far 0 36 0 - 9.3-23.4 QB ALA 41 - HB2 ASP 47 far 0 88 0 - 9.3-10.3 HG12 ILE 80 - HB3 ASP 78 far 0 76 0 - 9.5-9.7 Violated in 0 structures by 0.00 A. Peak 11207 from aliabs.peaks (2.09, 2.72, 39.87 ppm; 4.38 A): 0 out of 3 assignments used, quality = 0.00: HB3 GLU 44 - HB2 ASP 47 far 0 70 0 - 6.1-6.9 HB VAL 126 - HB2 ASP 47 far 0 85 0 - 8.4-9.2 HG3 GLN 134 - HB2 ASP 47 far 0 78 0 - 8.8-11.5 Violated in 20 structures by 1.91 A. Peak 11208 from aliabs.peaks (2.03, 2.72, 39.87 ppm; 4.77 A): 0 out of 8 assignments used, quality = 0.00: HB VAL 20 - HB3 ASP 78 far 3 57 5 - 5.2-26.2 HB2 GLU 44 - HB2 ASP 47 far 0 92 0 - 5.4-6.2 HG2 ARG 90 - HB3 ASP 78 far 0 99 0 - 7.0-7.7 HB2 GLN 127 - HB2 ASP 47 far 0 78 0 - 7.2-10.3 HB ILE 129 - HB2 ASP 47 far 0 55 0 - 8.4-11.2 HB3 MET 11 - HB3 ASP 78 far 0 87 0 - 9.2-37.1 QE MET 11 - HB3 ASP 78 far 0 100 0 - 9.5-32.0 HB2 GLN 134 - HB2 ASP 47 far 0 90 0 - 9.5-12.7 Violated in 19 structures by 0.62 A. Peak 11209 from aliabs.peaks (1.67, 2.72, 39.87 ppm; 5.26 A increased from 4.95 A): 1 out of 14 assignments used, quality = 0.79: HD2 LYS 86 + HB3 ASP 78 OK 79 89 100 89 4.5-5.1 11180/9693=56...(6) HD3 LYS 26 - HB3 ASP 35 poor 18 51 35 - 3.0-8.3 HD2 LYS 26 - HB3 ASP 35 poor 17 48 55 65 1.9-7.9 ~10800=50...(6) HD3 LYS 86 - HB3 ASP 78 far 0 83 0 - 5.9-6.6 HD3 LYS 19 - HB3 ASP 78 far 0 71 0 - 6.1-31.5 HD2 LYS 36 - HB3 ASP 35 far 0 51 0 - 6.2-7.2 HD2 LYS 19 - HB3 ASP 78 far 0 76 0 - 7.2-31.5 HD3 LYS 36 - HB3 ASP 35 far 0 50 0 - 7.6-8.4 HD2 LYS 26 - HB3 ASP 78 far 0 93 0 - 8.6-14.4 HD2 LYS 24 - HB3 ASP 35 far 0 50 0 - 8.8-19.2 HD3 LYS 24 - HB3 ASP 35 far 0 40 0 - 8.9-18.2 HD3 LYS 26 - HB3 ASP 78 far 0 97 0 - 9.2-13.8 HD3 LYS 24 - HB3 ASP 78 far 0 83 0 - 9.7-20.4 HD3 LYS 31 - HB3 ASP 35 far 0 47 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 11210 from aliabs.peaks (3.41, 2.72, 39.87 ppm; 5.02 A): 0 out of 1 assignment used, quality = 0.00: HA VAL 126 - HB2 ASP 47 far 0 67 0 - 9.1-10.3 Violated in 20 structures by 4.68 A. Peak 11211 from aliabs.peaks (2.32, 4.38, 55.71 ppm; 5.58 A increased from 5.25 A): 1 out of 1 assignment used, quality = 0.89: HB VAL 77 + HA ASP 78 OK 89 89 100 100 5.4-5.5 2.1/9695=99...(24) Violated in 0 structures by 0.00 A. Peak 11212 from aliabs.peaks (0.81, 2.60, 26.84 ppm; 6.19 A increased from 5.21 A): 2 out of 6 assignments used, quality = 1.00: HG13 ILE 80 + HB3 CYS 79 OK 100 100 100 100 5.5-6.2 2.1/11213=81...(15) QG2 ILE 80 + HB3 CYS 79 OK 100 100 100 100 6.3-6.3 2.1/11166=89...(19) QG2 ILE 32 - HB3 CYS 79 far 3 65 5 - 6.6-9.0 QG1 VAL 133 - HB3 CYS 79 far 0 65 0 - 7.1-8.4 QG2 ILE 129 - HB3 CYS 79 far 0 96 0 - 9.0-9.5 QD2 LEU 22 - HB3 CYS 79 far 0 60 0 - 9.6-20.8 Violated in 0 structures by 0.00 A. Peak 11213 from aliabs.peaks (0.27, 2.60, 26.84 ppm; 6.16 A increased from 5.80 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HB3 CYS 79 OK 100 100 100 100 5.7-6.1 7077/4.4=89...(16) QG2 VAL 93 - HB3 CYS 79 far 0 87 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 11214 from aliabs.peaks (0.80, 1.83, 26.84 ppm; 5.91 A increased from 4.98 A): 2 out of 3 assignments used, quality = 0.99: HG13 ILE 80 + HB2 CYS 79 OK 93 93 100 100 5.3-5.9 2.1/11215=72, ~11213=61...(16) QG2 ILE 80 + HB2 CYS 79 OK 89 89 100 100 5.9-5.9 ~11166=66, 3.1/11215=64...(17) QG2 ILE 129 - HB2 CYS 79 far 0 68 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 11215 from aliabs.peaks (0.27, 1.83, 26.84 ppm; 6.32 A increased from 5.94 A): 1 out of 2 assignments used, quality = 0.98: QD1 ILE 80 + HB2 CYS 79 OK 98 98 100 100 5.9-6.3 7077/4.4=90...(17) QG2 VAL 93 - HB2 CYS 79 far 0 93 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 11216 from aliabs.peaks (1.48, 1.74, 38.30 ppm; 5.87 A): 1 out of 1 assignment used, quality = 0.99: HG3 LYS 86 + HB ILE 80 OK 99 99 100 100 2.3-5.2 1.8/9713=95, 9827/3.2=85...(39) Violated in 0 structures by 0.00 A. Peak 11217 from aliabs.peaks (1.95, 1.74, 38.30 ppm; 5.57 A): 1 out of 4 assignments used, quality = 0.99: HB3 LYS 86 + HB ILE 80 OK 99 99 100 100 3.9-4.9 11240/2.1=100...(34) HB3 PRO 81 - HB ILE 80 far 0 100 0 - 7.1-7.4 HB ILE 37 - HB ILE 80 far 0 85 0 - 8.6-9.6 HB3 ARG 90 - HB ILE 80 far 0 100 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 11218 from aliabs.peaks (2.01, 4.12, 58.62 ppm; 4.68 A increased from 4.16 A): 2 out of 8 assignments used, quality = 1.00: HG2 PRO 81 + HA ILE 80 OK 100 100 100 100 4.2-4.5 2.3/2478=90...(22) HB2 PRO 81 + HA ILE 80 OK 40 40 100 100 4.8-4.9 3.0/2478=81...(20) HG2 PRO 81 - HA CYS 79 far 0 60 0 - 7.4-8.7 HB VAL 63 - HA GLN 101 far 0 49 0 - 7.6-8.6 HG3 ARG 135 - HA ILE 80 far 0 73 0 - 8.2-9.4 HG2 ARG 90 - HA ILE 80 far 0 93 0 - 8.6-9.2 HB VAL 20 - HA CYS 79 far 0 57 0 - 8.7-27.7 HG2 ARG 90 - HA CYS 79 far 0 51 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 11219 from aliabs.peaks (3.18, 0.27, 13.24 ppm; 5.06 A increased from 4.50 A): 2 out of 7 assignments used, quality = 0.95: HD2 ARG 90 + QD1 ILE 80 OK 92 96 100 97 4.6-5.2 3.0/11226=74...(8) HD3 ARG 90 + QD1 ILE 80 OK 31 92 35 96 5.4-6.5 3.0/11226=74...(8) HD3 ARG 84 - QD1 ILE 80 far 0 97 0 - 6.8-10.3 HD2 ARG 84 - QD1 ILE 80 far 0 97 0 - 7.1-10.7 HD3 ARG 23 - QD1 ILE 80 far 0 85 0 - 8.8-25.8 HD2 ARG 23 - QD1 ILE 80 far 0 90 0 - 9.9-25.9 HB3 CYS 125 - QD1 ILE 80 far 0 76 0 - 10.0-12.1 Violated in 0 structures by 0.00 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 3.6-4.6 11878=100, 11196/9649=79...(35) Violated in 0 structures by 0.00 A. Peak 11221 from aliabs.peaks (2.93, 0.27, 13.24 ppm; 5.13 A increased from 4.83 A): 1 out of 6 assignments used, quality = 0.78: HE3 LYS 86 + QD1 ILE 80 OK 78 78 100 100 2.9-5.0 1.8/11220=85...(20) HE2 LYS 39 - QD1 ILE 80 far 0 100 0 - 6.5-9.0 HD2 ARG 135 - QD1 ILE 80 far 0 99 0 - 7.4-8.3 HE3 LYS 39 - QD1 ILE 80 far 0 100 0 - 7.5-9.2 HE3 LYS 19 - QD1 ILE 80 far 0 76 0 - 7.5-33.6 HE2 LYS 19 - QD1 ILE 80 far 0 76 0 - 8.9-33.4 Violated in 0 structures by 0.00 A. Peak 11222 from aliabs.peaks (2.81, 0.27, 13.24 ppm; 4.43 A): 1 out of 2 assignments used, quality = 0.98: HB3 ASN 85 + QD1 ILE 80 OK 98 98 100 100 2.8-3.5 1.8/9723=79...(18) HB2 ASN 13 - QD1 ILE 80 far 0 99 0 - 9.5-34.2 Violated in 0 structures by 0.00 A. Peak 11223 from aliabs.peaks (2.21, 0.27, 13.24 ppm; 5.56 A increased from 4.94 A): 2 out of 6 assignments used, quality = 0.91: HB VAL 133 + QD1 ILE 80 OK 73 73 100 100 4.8-5.7 2.1/10588=98...(25) HB2 GLN 82 + QD1 ILE 80 OK 64 99 65 100 5.1-7.3 ~11263=66, 11463/9723=63...(12) HB2 PRO 81 - QD1 ILE 80 far 0 81 0 - 6.8-7.5 HG2 GLU 91 - QD1 ILE 80 far 0 100 0 - 7.4-8.5 HB3 GLU 128 - QD1 ILE 80 far 0 87 0 - 9.3-10.0 HB3 LEU 96 - QD1 ILE 80 far 0 60 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 11224 from aliabs.peaks (1.67, 0.27, 13.24 ppm; 4.63 A increased from 4.11 A): 3 out of 9 assignments used, quality = 0.99: HD2 LYS 86 + QD1 ILE 80 OK 95 95 100 100 4.3-5.1 3.0/9720=76...(46) HD3 LYS 86 + QD1 ILE 80 OK 81 90 90 100 4.9-5.3 3.0/9720=76...(45) QB ALA 88 + QD1 ILE 80 OK 25 99 25 100 5.1-5.4 7195/9869=55...(18) HG LEU 43 - QD1 ILE 80 far 0 68 0 - 7.3-7.7 HG3 ARG 84 - QD1 ILE 80 far 0 60 0 - 8.0-9.4 HD2 LYS 39 - QD1 ILE 80 far 0 97 0 - 8.5-9.2 HD3 LYS 19 - QD1 ILE 80 far 0 81 0 - 8.7-32.7 HB2 LEU 69 - QD1 ILE 80 far 0 85 0 - 9.0-9.6 HD2 LYS 19 - QD1 ILE 80 far 0 85 0 - 9.8-32.8 Violated in 0 structures by 0.00 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 2.2-4.5 1.8/9720=83...(35) HG LEU 42 - QD1 ILE 80 far 0 99 0 - 6.8-7.2 HG LEU 69 - QD1 ILE 80 far 0 76 0 - 9.4-10.0 Violated in 1 structures by 0.01 A. Peak 11226 from aliabs.peaks (2.05, 0.27, 13.24 ppm; 4.71 A increased from 4.44 A): 1 out of 9 assignments used, quality = 0.53: HG2 ARG 90 + QD1 ILE 80 OK 53 60 100 89 4.2-4.7 3.0/11219=45...(9) HG3 PRO 81 - QD1 ILE 80 far 5 100 5 - 5.3-6.7 HG3 ARG 135 - QD1 ILE 80 far 0 85 0 - 5.5-6.5 HB2 PRO 81 - QD1 ILE 80 far 0 72 0 - 6.8-7.5 HB3 LYS 39 - QD1 ILE 80 far 0 65 0 - 7.9-8.7 HG3 GLN 134 - QD1 ILE 80 far 0 71 0 - 8.0-8.7 QE MET 11 - QD1 ILE 80 far 0 73 0 - 8.8-30.9 HB3 GLU 91 - QD1 ILE 80 far 0 85 0 - 8.9-9.5 HB2 GLU 128 - QD1 ILE 80 far 0 60 0 - 9.1-10.2 Violated in 0 structures by 0.00 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 2.8-3.8 9725/2.1=99, 9728/1.8=73...(42) HA VAL 126 + QD2 LEU 49 OK 61 61 100 100 4.6-4.9 3.2/11676=76...(13) HA ILE 129 - HG13 ILE 80 far 0 90 0 - 7.9-8.4 HA ILE 129 - QD2 LEU 49 far 0 50 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 11229 from aliabs.peaks (3.88, 0.81, 27.07 ppm; 4.98 A): 2 out of 7 assignments used, quality = 1.00: HA LYS 86 + HG13 ILE 80 OK 100 100 100 100 4.6-5.0 9727/2.1=98, 9819/3.2=81...(30) HA ALA 46 + QD2 LEU 49 OK 58 58 100 99 4.4-5.1 9209/2.1=76, 10951=51...(13) HB3 SER 50 - QD2 LEU 49 far 0 60 0 - 5.9-7.1 HA LEU 70 - QD2 LEU 49 far 0 61 0 - 7.0-7.3 HA3 GLY 75 - HG13 ILE 80 far 0 98 0 - 8.7-9.9 HB3 SER 60 - QD2 LEU 49 far 0 38 0 - 9.7-10.6 HB2 SER 60 - QD2 LEU 49 far 0 38 0 - 9.8-10.5 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 11 assignments used, quality = 0.99: HA LYS 86 + QG2 ILE 80 OK 97 97 100 100 2.5-3.3 9819=53, 3.0/11240=46...(29) HD2 PRO 81 + QG2 ILE 80 OK 69 71 100 98 2.0-3.0 4.0=52, 3.0/11281=25...(27) HA LEU 70 - QG2 ILE 129 far 0 87 0 - 5.4-6.4 HA ALA 46 - QG2 ILE 129 far 0 76 0 - 5.5-6.2 HA LYS 86 - QG2 ILE 129 far 0 82 0 - 6.0-6.7 HB2 SER 94 - QG2 ILE 129 far 0 62 0 - 7.5-8.1 HD2 PRO 81 - QG2 ILE 129 far 0 56 0 - 7.5-8.3 HA3 GLY 75 - QG2 ILE 129 far 0 74 0 - 8.2-8.9 HB3 SER 50 - QG2 ILE 129 far 0 87 0 - 8.6-10.3 HA LEU 123 - QG2 ILE 129 far 0 53 0 - 8.6-9.0 HA3 GLY 75 - QG2 ILE 80 far 0 90 0 - 9.8-10.0 Violated in 0 structures by 0.00 A. Peak 11231 from aliabs.peaks (3.77, 0.81, 17.00 ppm; 4.47 A increased from 3.97 A): 3 out of 10 assignments used, quality = 0.99: HA VAL 133 + QG2 ILE 80 OK 88 99 90 100 4.5-5.2 9726/3.1=67, ~10588=32...(30) HA SER 130 + QG2 ILE 129 OK 87 87 100 100 3.5-4.4 2.9/7884=71, 11746=50...(27) HA ARG 90 + QG2 ILE 129 OK 27 60 70 64 4.3-5.3 10467/3.0=28...(6) HB3 SER 130 - QG2 ILE 129 far 0 87 0 - 5.1-5.7 HA LEU 43 - QG2 ILE 129 far 0 88 0 - 5.4-6.4 HA VAL 133 - QG2 ILE 129 far 0 84 0 - 5.4-6.1 HA ARG 90 - QG2 ILE 80 far 0 76 0 - 7.9-8.5 HA GLU 97 - QG2 ILE 129 far 0 77 0 - 8.3-9.0 HA SER 130 - QG2 ILE 80 far 0 100 0 - 8.5-9.4 HB2 SER 99 - QG2 ILE 129 far 0 76 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 11232 from aliabs.peaks (3.77, 0.82, 16.85 ppm; 4.06 A): 3 out of 10 assignments used, quality = 1.00: HA SER 130 + QG2 ILE 129 OK 99 99 100 100 3.5-4.4 2.9/4143=63, ~7883=38...(27) HA THR 83 + QG2 ILE 80 OK 42 53 100 79 2.7-3.5 7129/9813=26...(12) HA VAL 133 + QG2 ILE 80 OK 39 88 45 98 4.5-5.2 10590/3.1=48, ~10588=25...(29) HB3 SER 130 - QG2 ILE 129 far 0 100 0 - 5.1-5.7 HA LEU 43 - QG2 ILE 129 far 0 97 0 - 5.4-6.4 HA VAL 133 - QG2 ILE 129 far 0 100 0 - 5.4-6.1 HA GLU 97 - QG2 ILE 129 far 0 100 0 - 8.3-9.0 HA SER 130 - QG2 ILE 80 far 0 86 0 - 8.5-9.4 HA THR 83 - QG2 ILE 129 far 0 68 0 - 9.8-10.7 HB2 SER 99 - QG2 ILE 129 far 0 99 0 - 9.9-11.1 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 = 0.83: HA PHE 89 + QD1 ILE 80 OK 78 78 100 100 3.9-4.2 3.1/9747=71, 2.9/9869=55...(26) HD3 PRO 81 + QD1 ILE 80 OK 23 65 35 100 4.6-5.5 3.8/2472=62, 4.8/7077=47...(30) HB2 SER 74 - QD1 ILE 80 far 0 99 0 - 8.0-8.7 HB3 SER 74 - QD1 ILE 80 far 0 100 0 - 8.0-8.6 HA ALA 92 - QD1 ILE 80 far 0 98 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 11236 from aliabs.peaks (2.83, 0.81, 17.00 ppm; 3.38 A): 1 out of 6 assignments used, quality = 0.97: HB3 ASN 85 + QG2 ILE 80 OK 97 98 100 98 1.9-3.6 1.8/11237=60, 9793=40...(17) HB3 ASN 85 - QG2 ILE 129 far 0 83 0 - 6.1-7.5 HB2 ASN 13 - QG2 ILE 80 far 0 97 0 - 7.5-35.0 HB3 ASP 71 - QG2 ILE 129 far 0 64 0 - 8.7-9.7 HB3 ASP 47 - QG2 ILE 129 far 0 86 0 - 8.9-10.3 HB2 ASN 13 - QG2 ILE 129 far 0 81 0 - 9.4-35.3 Violated in 1 structures by 0.01 A. Peak 11237 from aliabs.peaks (2.69, 0.81, 17.00 ppm; 3.77 A increased from 3.35 A): 1 out of 5 assignments used, quality = 1.00: HB2 ASN 85 + QG2 ILE 80 OK 100 100 100 100 2.6-3.9 1.8/11236=84, 9791=80...(21) HB2 ASN 85 - QG2 ILE 129 far 0 86 0 - 5.9-8.3 HB3 ASP 78 - QG2 ILE 80 far 0 60 0 - 7.3-7.6 HB2 ASP 47 - QG2 ILE 129 far 0 62 0 - 8.8-10.4 HB3 ASP 78 - QG2 ILE 129 far 0 47 0 - 9.8-10.3 Violated in 3 structures by 0.01 A. Peak 11239 from aliabs.peaks (2.33, 0.81, 17.00 ppm; 5.33 A increased from 4.49 A): 3 out of 9 assignments used, quality = 0.96: HG2 GLU 128 + QG2 ILE 129 OK 79 79 100 100 4.8-5.5 11399/9946=70...(17) HB VAL 77 + QG2 ILE 129 OK 73 80 100 91 5.1-5.5 9671/10457=65, 9646=35...(8) HB VAL 77 + QG2 ILE 80 OK 24 96 25 100 5.8-6.4 ~9649=67, ~9648=59...(41) HG2 GLN 127 - QG2 ILE 129 far 0 76 0 - 7.3-9.0 HG3 GLN 68 - QG2 ILE 129 far 0 83 0 - 7.7-8.8 HB3 GLN 134 - QG2 ILE 129 far 0 88 0 - 7.8-9.5 HG2 GLU 44 - QG2 ILE 129 far 0 80 0 - 8.4-11.5 HB3 GLN 134 - QG2 ILE 80 far 0 100 0 - 9.2-10.1 HG2 GLU 128 - QG2 ILE 80 far 0 95 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 11240 from aliabs.peaks (1.95, 0.81, 17.00 ppm; 3.54 A): 1 out of 10 assignments used, quality = 0.97: HB3 LYS 86 + QG2 ILE 80 OK 97 97 100 100 2.6-3.7 1.8/9821=49, 3.0/9819=47...(38) HB3 PRO 81 - QG2 ILE 80 far 15 100 15 - 4.1-4.8 HB3 ARG 90 - QG2 ILE 129 far 0 87 0 - 6.5-7.4 HB2 LYS 95 - QG2 ILE 129 far 0 82 0 - 7.0-7.7 HB3 LYS 95 - QG2 ILE 129 far 0 85 0 - 8.0-9.1 HB3 ARG 90 - QG2 ILE 80 far 0 100 0 - 8.3-9.0 HB3 LYS 86 - QG2 ILE 129 far 0 82 0 - 8.4-9.1 HB ILE 37 - QG2 ILE 80 far 0 78 0 - 8.7-9.5 HB ILE 37 - QG2 ILE 129 far 0 62 0 - 8.7-9.5 HB2 MET 11 - QG2 ILE 129 far 0 47 0 - 9.3-35.9 Violated in 2 structures by 0.01 A. Peak 11241 from aliabs.peaks (1.66, 0.81, 17.00 ppm; 4.35 A increased from 3.48 A): 3 out of 19 assignments used, quality = 1.00: HD3 LYS 86 + QG2 ILE 80 OK 100 100 100 100 3.9-4.5 3.5/11240=68...(48) HD2 LYS 86 + QG2 ILE 80 OK 90 100 90 100 3.6-5.0 3.5/11240=68...(47) HB2 LEU 69 + QG2 ILE 129 OK 58 84 70 99 4.4-5.5 11712/4163=54...(17) HG2 ARG 84 - QG2 ILE 80 far 0 81 0 - 5.0-7.2 QB ALA 88 - QG2 ILE 129 far 0 86 0 - 5.3-6.3 QB ALA 88 - QG2 ILE 80 far 0 100 0 - 5.5-6.3 HG LEU 43 - QG2 ILE 129 far 0 76 0 - 6.0-7.5 HG3 ARG 84 - QG2 ILE 80 far 0 87 0 - 6.1-7.5 HD3 LYS 19 - QG2 ILE 80 far 0 97 0 - 6.4-32.6 HD2 LYS 19 - QG2 ILE 80 far 0 99 0 - 7.3-32.6 HD2 LYS 95 - QG2 ILE 129 far 0 87 0 - 7.5-10.0 HD3 LYS 95 - QG2 ILE 129 far 0 88 0 - 7.9-9.8 HD2 LYS 39 - QG2 ILE 80 far 0 81 0 - 8.1-9.8 HG LEU 43 - QG2 ILE 80 far 0 92 0 - 8.7-9.8 HD2 LYS 86 - QG2 ILE 129 far 0 87 0 - 8.9-9.6 HD2 LYS 39 - QG2 ILE 129 far 0 64 0 - 9.0-10.2 HD3 LYS 86 - QG2 ILE 129 far 0 86 0 - 9.5-10.1 HG2 ARG 84 - QG2 ILE 129 far 0 64 0 - 9.6-12.9 HD2 LYS 24 - QG2 ILE 80 far 0 100 0 - 9.6-25.3 Violated in 0 structures by 0.00 A. Peak 11242 from aliabs.peaks (3.31, 0.81, 17.00 ppm; 3.95 A): 3 out of 4 assignments used, quality = 0.99: HB3 CYS 73 + QG2 ILE 129 OK 80 87 100 91 3.1-4.2 3.0/11142=46, 11144=21...(20) HB2 PHE 89 + QG2 ILE 80 OK 77 97 80 98 4.1-4.8 2765/9819=31...(28) HB2 PHE 89 + QG2 ILE 129 OK 75 82 95 96 3.8-4.6 4.5/10457=37...(23) HB3 CYS 73 - QG2 ILE 80 far 0 100 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 11243 from aliabs.peaks (3.06, 0.81, 17.00 ppm; 5.12 A increased from 4.55 A): 1 out of 2 assignments used, quality = 1.00: HE2 LYS 86 + QG2 ILE 80 OK 100 100 100 100 2.3-5.0 11877=100, 2695/11240=71...(31) HE2 LYS 86 - QG2 ILE 129 far 0 87 0 - 7.8-9.5 Violated in 0 structures by 0.00 A. Peak 11244 from aliabs.peaks (3.18, 0.81, 17.00 ppm; 4.55 A): 0 out of 12 assignments used, quality = 0.00: HD2 ARG 90 - QG2 ILE 129 far 4 76 5 - 4.8-7.5 HD3 ARG 90 - QG2 ILE 129 far 0 70 0 - 5.4-7.9 HB3 CYS 125 - QG2 ILE 129 far 0 67 0 - 5.5-7.2 HD2 ARG 84 - QG2 ILE 80 far 0 99 0 - 5.9-9.0 HD3 ARG 84 - QG2 ILE 80 far 0 99 0 - 5.9-8.5 HD2 ARG 90 - QG2 ILE 80 far 0 92 0 - 6.6-7.4 HD3 ARG 90 - QG2 ILE 80 far 0 87 0 - 7.5-8.4 HD3 ARG 23 - QG2 ILE 80 far 0 78 0 - 7.7-25.7 HD2 ARG 23 - QG2 ILE 80 far 0 85 0 - 8.8-25.9 HB2 HIS 10 - QG2 ILE 129 far 0 82 0 - 8.9-36.8 HD3 ARG 84 - QG2 ILE 129 far 0 84 0 - 9.2-14.1 HD2 ARG 84 - QG2 ILE 129 far 0 84 0 - 9.7-14.0 Violated in 15 structures by 0.16 A. Peak 11245 from aliabs.peaks (1.33, 0.82, 16.85 ppm; 4.11 A increased from 3.65 A): 1 out of 8 assignments used, quality = 0.94: QB ALA 46 + QG2 ILE 129 OK 94 98 100 95 3.7-4.3 9177/10486=62...(13) QB ALA 21 - QG2 ILE 80 far 0 74 0 - 5.5-23.4 QB ALA 12 - QG2 ILE 32 far 0 27 0 - 7.3-27.6 QB ALA 12 - QG2 ILE 129 far 0 60 0 - 8.5-26.4 QB ALA 21 - QG2 ILE 32 far 0 45 0 - 8.8-15.2 QB ALA 12 - QG2 ILE 80 far 0 47 0 - 8.9-29.5 QB ALA 46 - QG2 ILE 80 far 0 83 0 - 9.2-10.1 QB ALA 21 - QG2 ILE 129 far 0 90 0 - 9.8-25.6 Violated in 2 structures by 0.02 A. Peak 11246 from aliabs.peaks (2.68, 1.74, 38.30 ppm; 5.98 A increased from 5.63 A): 1 out of 1 assignment used, quality = 0.95: HB2 ASN 85 + HB ILE 80 OK 95 95 100 100 5.0-5.8 11173/2.1=100, ~11236=95...(13) Violated in 0 structures by 0.00 A. Peak 11247 from aliabs.peaks (3.77, 1.21, 27.07 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: HA VAL 133 + HG12 ILE 80 OK 100 100 100 100 3.2-3.8 10590/2.1=100, ~10588=88...(19) HA THR 83 + HG12 ILE 80 OK 26 63 100 42 5.5-6.9 11232/3.2=23, ~2454=15 HA SER 130 - HG12 ILE 80 far 0 100 0 - 7.6-8.6 HA LEU 43 - HG12 ILE 80 far 0 99 0 - 9.6-11.1 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 1 assignment used, quality = 1.00: HD2 PRO 81 + HG12 ILE 80 OK 100 100 100 100 2.0-3.2 2478/4.1=85, 4.0/2454=66...(25) Violated in 0 structures by 0.00 A. Peak 11249 from aliabs.peaks (8.31, 0.81, 27.07 ppm; 5.99 A): 3 out of 8 assignments used, quality = 0.88: H LEU 49 + QD2 LEU 49 OK 59 59 100 100 3.8-4.2 5.0=100 H LEU 69 + QD2 LEU 49 OK 57 58 100 99 4.4-4.8 3.6/11250=58...(17) H VAL 126 + QD2 LEU 49 OK 31 31 100 99 4.1-4.6 4.0/11676=80...(13) H SER 99 - QD2 LEU 49 far 0 50 0 - 7.4-7.7 H TYR 72 - QD2 LEU 49 far 0 52 0 - 8.1-8.6 H LEU 43 - HG13 ILE 80 far 0 83 0 - 8.4-9.2 H GLU 40 - HG13 ILE 80 far 0 83 0 - 9.1-9.9 H GLU 44 - QD2 LEU 49 far 0 36 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 11250 from aliabs.peaks (8.47, 0.81, 27.07 ppm; 6.01 A increased from 5.34 A): 1 out of 5 assignments used, quality = 0.53: H LEU 70 + QD2 LEU 49 OK 53 58 100 90 5.6-5.8 6941/11034=37...(11) H LEU 100 - QD2 LEU 49 lone 7 51 95 15 6.1-6.7 11009/9208=6...(4) H ASP 47 - QD2 LEU 49 far 0 51 0 - 6.7-7.3 H GLU 97 - QD2 LEU 49 far 0 38 0 - 6.8-7.4 H VAL 132 - HG13 ILE 80 far 0 100 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 11251 from aliabs.peaks (8.15, 0.27, 13.24 ppm; 5.38 A): 1 out of 2 assignments used, quality = 0.99: H VAL 133 + QD1 ILE 80 OK 99 99 100 100 4.8-5.1 3.0/9726=90...(19) H GLU 91 - QD1 ILE 80 far 0 68 0 - 6.2-6.8 Violated in 0 structures by 0.00 A. Peak 11252 from aliabs.peaks (8.45, 0.27, 13.24 ppm; 6.37 A increased from 5.66 A): 2 out of 2 assignments used, quality = 0.86: H VAL 132 + QD1 ILE 80 OK 81 81 100 100 5.9-6.3 4.0/11738=97...(8) H VAL 93 + QD1 ILE 80 OK 28 92 95 32 6.6-7.1 7261/11233=31 Violated in 0 structures by 0.00 A. Peak 11253 from aliabs.peaks (8.53, 0.27, 13.24 ppm; 5.05 A): 0 out of 1 assignment used, quality = 0.00: H ALA 46 - QD1 ILE 80 far 0 100 0 - 9.7-10.3 Violated in 20 structures by 4.86 A. Peak 11254 from aliabs.peaks (0.81, 4.04, 50.95 ppm; 4.37 A): 3 out of 4 assignments used, quality = 1.00: QG2 ILE 80 + HD3 PRO 81 OK 99 99 100 100 3.3-4.1 4.0=100 HG13 ILE 80 + HD3 PRO 81 OK 99 100 100 99 3.1-4.3 2.1/11178=43, ~11248=38...(27) QG1 VAL 133 + HD3 PRO 81 OK 41 57 90 80 3.7-5.2 ~11757=48, 11282/2.3=19...(8) QG2 ILE 129 - HD3 PRO 81 far 0 92 0 - 8.3-9.3 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 0 99 0 - 7.1-8.1 Violated in 20 structures by 1.99 A. Peak 11256 from aliabs.peaks (0.81, 3.85, 50.95 ppm; 4.88 A): 2 out of 7 assignments used, quality = 1.00: HG13 ILE 80 + HD2 PRO 81 OK 99 99 100 100 2.3-3.5 4.1/2478=70...(30) QG2 ILE 80 + HD2 PRO 81 OK 98 98 100 100 2.0-3.0 4.0=100 QD1 LEU 103 - HD2 PRO 117 far 0 66 0 - 6.5-7.3 QD2 LEU 119 - HD2 PRO 117 far 0 84 0 - 7.2-7.4 QG2 ILE 129 - HD2 PRO 81 far 0 87 0 - 7.5-8.3 QD2 LEU 122 - HD2 PRO 117 far 0 78 0 - 8.5-10.7 QD1 LEU 122 - HD2 PRO 117 far 0 98 0 - 9.7-11.4 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 1 assignment used, quality = 0.52: * HD2 PRO 81 + HB2 PRO 81 OK 52 52 100 100 3.9-3.9 3.0=100 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 1 assignment used, quality = 0.49: * HB2 PRO 81 + HA PRO 81 OK 49 49 100 100 2.3-2.3 2.3=100 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 3 assignments used, quality = 0.51: HG2 PRO 81 + HB2 PRO 81 OK 51 51 100 100 2.3-3.0 2.3=100 HB VAL 20 - HB2 PRO 81 far 0 52 0 - 7.7-34.0 HB2 GLN 134 - HB2 PRO 81 far 0 39 0 - 9.6-12.1 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 5 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 HB VAL 20 - HB2 PRO 81 far 0 32 0 - 7.7-34.0 HG3 ARG 135 - HB2 PRO 81 far 0 49 0 - 8.6-10.2 HB2 GLN 134 - HB2 PRO 81 far 0 51 0 - 9.6-12.1 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 4 assignments used, quality = 0.99: HG2 PRO 81 + HA PRO 81 OK 98 100 100 98 3.9-4.0 3.8=96, 11886/3.6=30...(4) HB2 PRO 81 + HA PRO 81 OK 38 38 100 100 2.3-2.3 2.3=100 HB VAL 20 - HA PRO 81 far 0 99 0 - 6.3-32.9 HG3 ARG 135 - HA PRO 81 far 0 68 0 - 9.5-10.7 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 3 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 2.3-2.3 2.3=100 HG3 ARG 135 - HA PRO 81 far 0 99 0 - 9.5-10.7 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 3.0-3.0 3.0=100 HA ARG 135 - HB2 PRO 81 far 0 34 0 - 8.8-12.2 Violated in 0 structures by 0.00 A. Peak 11265 from aliabs.peaks (4.13, 2.25, 32.41 ppm; 5.12 A increased from 4.55 A): 1 out of 3 assignments used, quality = 0.48: HA ILE 80 + HB2 PRO 81 OK 48 48 100 100 4.8-4.9 2478/3.0=87...(22) HA CYS 79 - HB2 PRO 81 far 0 25 0 - 6.6-7.9 HB THR 83 - HB2 PRO 81 far 0 41 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 11266 from aliabs.peaks (4.33, 2.25, 32.41 ppm; 3.20 A): 1 out of 3 assignments used, quality = 0.52: HA PRO 81 + HB2 PRO 81 OK 52 52 100 100 2.3-2.3 2.3=100 HA GLN 134 - HB2 PRO 81 far 0 33 0 - 7.4-9.4 HA TYR 76 - HB2 PRO 81 far 0 33 0 - 9.2-10.0 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 2 assignments used, quality = 0.99: HD2 PRO 81 + HA PRO 81 OK 99 99 100 100 4.1-4.1 3.6=100 HA LYS 86 - HA PRO 81 far 0 60 0 - 8.1-9.0 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 1 assignment used, quality = 0.97: HD3 PRO 81 + HA PRO 81 OK 97 97 100 100 3.6-3.6 3.6=100 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 14 assignments used, quality = 0.50: HB2 PRO 81 + HB3 PRO 81 OK 50 50 100 100 1.8-1.8 1.8=100 HB3 LEU 96 - HB2 LYS 95 far 0 67 0 - 4.3-4.7 HB3 LEU 96 - HB3 LYS 95 far 0 71 0 - 4.8-6.0 HG2 GLN 61 - HB2 PRO 58 far 0 42 0 - 5.8-6.7 HG2 GLU 97 - HB2 LYS 95 far 0 67 0 - 6.3-6.9 HG2 GLU 97 - HB3 LYS 95 far 0 71 0 - 6.9-7.4 HB3 GLU 128 - HB2 LYS 95 far 0 53 0 - 7.7-8.6 HB VAL 132 - HB3 LYS 86 far 0 45 0 - 7.8-8.4 HB3 GLU 128 - HB3 LYS 95 far 0 56 0 - 8.5-9.8 HB2 PRO 81 - HB3 LYS 86 far 0 40 0 - 8.9-10.5 HB3 GLN 104 - HB2 PRO 58 far 0 48 0 - 8.9-10.2 HB3 GLU 102 - HB3 LYS 95 far 0 51 0 - 9.3-11.9 HB3 GLN 127 - HB2 LYS 95 far 0 37 0 - 9.5-11.5 HB VAL 132 - HB3 PRO 81 far 0 55 0 - 9.7-10.8 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 2 assignments used, quality = 1.00: HB3 PRO 81 + HA PRO 81 OK 100 100 100 100 2.7-2.7 2.3=100 HB3 LYS 86 - HA PRO 81 far 0 97 0 - 7.4-9.1 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 - 8.9-10.5 HB ILE 37 - HB2 PRO 81 far 0 43 0 - 10.0-11.4 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): 4 out of 25 assignments used, quality = 0.99: HG2 PRO 58 + HB2 PRO 58 OK 84 84 100 100 2.3-2.3 2.3=100 HG2 PRO 81 + HB3 PRO 81 OK 81 81 100 100 2.3-2.7 2.3=100 HG3 PRO 81 + HB3 PRO 81 OK 65 65 100 100 2.3-2.7 2.3=100 HB2 PRO 81 + HB3 PRO 81 OK 47 47 100 100 1.8-1.8 1.8=100 HG2 ARG 90 - HB3 LYS 86 far 4 85 5 - 5.1-7.3 QE MET 11 - HB2 LYS 95 far 3 69 5 - 5.1-37.5 QE MET 11 - HB3 LYS 95 far 0 74 0 - 5.6-38.0 HB3 GLU 91 - HB2 LYS 95 far 0 67 0 - 6.0-7.9 HG2 PRO 81 - HB3 LYS 86 far 0 68 0 - 7.0-10.7 HG3 PRO 81 - HB3 LYS 86 far 0 54 0 - 7.1-10.0 HB VAL 20 - HB3 LYS 86 far 0 56 0 - 7.2-34.2 HB3 GLU 91 - HB3 LYS 95 far 0 71 0 - 7.3-8.8 HB VAL 63 - HB2 PRO 58 far 0 83 0 - 7.3-7.7 HB3 MET 11 - HB2 LYS 95 far 0 63 0 - 7.4-42.8 HG3 ARG 135 - HB3 PRO 81 far 0 94 0 - 7.6-9.1 HB3 MET 11 - HB3 LYS 95 far 0 67 0 - 7.9-43.5 HB VAL 20 - HB3 PRO 81 far 0 68 0 - 8.0-35.4 HG3 ARG 135 - HB3 LYS 86 far 0 82 0 - 8.4-9.8 HB ILE 129 - HB2 LYS 95 far 0 47 0 - 8.5-10.1 HB2 PRO 81 - HB3 LYS 86 far 0 38 0 - 8.9-10.5 QE MET 11 - HB3 LYS 86 far 0 85 0 - 9.2-37.7 HB ILE 129 - HB3 LYS 95 far 0 51 0 - 9.3-11.6 HB2 GLN 134 - HB3 PRO 81 far 0 96 0 - 9.6-11.3 HG2 ARG 90 - HB2 LYS 95 far 0 70 0 - 10.0-11.4 HB3 PRO 117 - HB3 LYS 95 far 0 58 0 - 10.0-11.2 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 7 assignments used, quality = 0.96: HD2 PRO 81 + HB3 PRO 81 OK 89 89 100 100 4.0-4.0 3.0=100 HA LYS 86 + HB3 LYS 86 OK 60 60 100 100 2.7-3.0 3.0=100 HD2 PRO 81 - HB3 LYS 86 far 0 76 0 - 6.1-8.3 HA LYS 86 - HB3 PRO 81 far 0 72 0 - 8.5-10.1 HA LEU 123 - HB3 LYS 95 far 0 64 0 - 9.4-11.0 HA LEU 123 - HB2 LYS 95 far 0 60 0 - 9.5-10.7 HA LEU 70 - HB2 LYS 95 far 0 57 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 11277 from aliabs.peaks (4.04, 1.94, 32.41 ppm; 4.76 A): 8 out of 14 assignments used, quality = 1.00: HD3 PRO 81 + HB3 PRO 81 OK 97 97 100 100 3.9-3.9 3.0=100 HA LYS 95 + HB3 LYS 95 OK 63 63 100 100 2.3-2.8 3.0=100 HA ALA 92 + HB3 LYS 95 OK 63 63 100 100 4.3-4.8 ~9948=61, ~9948=61...(15) HA LEU 96 + HB3 LYS 95 OK 61 64 100 94 4.0-5.0 2.9/7317=36, ~7316=26...(28) HA LYS 95 + HB2 LYS 95 OK 59 59 100 100 2.9-3.0 3.0=100 HA ALA 92 + HB2 LYS 95 OK 58 59 100 100 2.8-3.6 2.1/9948=71, 2894/4.0=50...(15) HA LEU 96 + HB2 LYS 95 OK 56 60 100 94 3.9-4.9 2.9/7317=36, ~7317=26...(26) HA SER 60 + HB2 PRO 58 OK 41 42 100 99 5.0-5.1 2.8/9332=53, ~10975=51...(14) HA LEU 122 - HB3 LYS 95 far 4 74 5 - 5.1-7.0 HA LEU 122 - HB2 LYS 95 far 0 70 0 - 5.8-7.2 HD3 PRO 81 - HB3 LYS 86 far 0 85 0 - 7.6-9.3 HB3 SER 124 - HB3 LYS 95 far 0 41 0 - 7.7-8.8 HA ARG 135 - HB3 PRO 81 far 0 72 0 - 7.8-10.9 HB3 SER 124 - HB2 LYS 95 far 0 38 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 11278 from aliabs.peaks (4.14, 1.94, 32.41 ppm; 5.01 A increased from 4.45 A): 2 out of 4 assignments used, quality = 0.96: HA ILE 80 + HB3 PRO 81 OK 81 81 100 100 5.4-5.6 2478/3.0=76...(23) HB THR 83 + HB3 LYS 86 OK 81 81 100 100 4.7-5.2 2.1/9760=89, ~11312=74...(16) HA ILE 80 - HB3 LYS 86 far 0 68 0 - 6.4-7.5 HB THR 83 - HB3 PRO 81 far 0 94 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 11279 from aliabs.peaks (4.34, 1.94, 32.41 ppm; 3.28 A): 1 out of 7 assignments used, quality = 0.88: HA PRO 81 + HB3 PRO 81 OK 88 88 100 100 2.7-2.7 2.3=100 HA CYS 125 - HB2 LYS 95 far 0 59 0 - 4.1-5.2 HA CYS 125 - HB3 LYS 95 far 0 63 0 - 4.7-6.5 HA ASN 59 - HB2 PRO 58 far 0 81 0 - 5.0-5.1 HA PRO 81 - HB3 LYS 86 far 0 75 0 - 7.4-9.1 HA GLN 134 - HB3 PRO 81 far 0 90 0 - 7.5-8.7 HA PRO 113 - HB2 PRO 58 far 0 55 0 - 8.9-11.3 Violated in 0 structures by 0.00 A. Peak 11280 from aliabs.peaks (0.82, 4.33, 40.66 ppm; 5.21 A): 1 out of 4 assignments used, quality = 1.00: QG2 ILE 80 + HA PRO 81 OK 100 100 100 100 3.7-3.9 11909=97, 9742/3.6=79...(14) HG13 ILE 80 - HA PRO 81 far 0 100 0 - 5.8-6.6 QG1 VAL 133 - HA PRO 81 far 0 76 0 - 6.7-7.9 QD2 LEU 22 - HA PRO 81 far 0 71 0 - 8.9-23.7 Violated in 0 structures by 0.00 A. Peak 11281 from aliabs.peaks (0.82, 2.25, 32.41 ppm; 5.07 A): 1 out of 3 assignments used, quality = 0.52: QG2 ILE 80 + HB2 PRO 81 OK 52 52 100 100 4.5-5.1 11280/2.3=72...(29) QG1 VAL 133 - HB2 PRO 81 far 2 33 5 - 5.6-6.8 HG13 ILE 80 - HB2 PRO 81 far 0 51 0 - 5.9-7.0 Violated in 1 structures by 0.00 A. Peak 11282 from aliabs.peaks (0.82, 2.05, 27.30 ppm; 4.79 A): 3 out of 16 assignments used, quality = 1.00: QG2 ILE 80 + HG3 PRO 81 OK 100 100 100 100 2.9-4.9 11281/2.3=68...(26) QG1 VAL 133 + HG3 PRO 81 OK 68 76 100 90 4.3-4.8 ~11757=52, 10574=36...(10) HG13 ILE 80 + HG3 PRO 81 OK 50 100 50 100 4.7-5.9 ~11248=44, ~11178=40...(26) QG2 ILE 80 - HG3 ARG 135 far 0 69 0 - 5.4-7.1 QD2 LEU 119 - HG3 PRO 113 far 0 48 0 - 5.7-8.2 QG1 VAL 133 - HG3 ARG 135 far 0 45 0 - 5.7-6.7 QD2 LEU 122 - HG2 PRO 117 far 0 57 0 - 6.9-8.9 HG13 ILE 80 - HG3 ARG 135 far 0 69 0 - 6.9-8.2 QG2 ILE 129 - HG3 ARG 135 far 0 66 0 - 7.4-8.6 QD2 LEU 119 - HG2 PRO 117 far 0 65 0 - 7.6-7.9 QD1 LEU 122 - HG2 PRO 117 far 0 97 0 - 7.8-9.9 QD2 LEU 122 - HG3 PRO 117 far 0 57 0 - 8.3-10.3 QD2 LEU 119 - HG3 PRO 117 far 0 65 0 - 8.5-8.7 QG2 ILE 129 - HG3 PRO 81 far 0 99 0 - 8.8-10.1 QD1 LEU 122 - HG3 PRO 117 far 0 97 0 - 9.2-11.3 QD1 LEU 53 - HG2 PRO 117 far 0 75 0 - 10.0-11.0 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 3 assignments used, quality = 0.00: HB2 SER 9 - HB3 ARG 84 far 0 87 0 - 7.4-57.5 HB3 SER 9 - HB3 ARG 84 far 0 100 0 - 9.0-56.6 HA VAL 133 - HB3 ARG 84 far 0 65 0 - 9.7-10.7 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 97 100 100 97 5.4-6.6 4.1/11298=67...(7) HG2 GLN 82 + HA THR 83 OK 96 99 100 97 5.3-6.6 4.1/11298=67, ~11223=51...(7) Violated in 0 structures by 0.00 A. Peak 11285 from aliabs.peaks (2.15, 3.74, 66.49 ppm; 6.73 A): 0 out of 1 assignment used, quality = 0.00: HB2 PRO 81 - HA THR 83 far 0 100 0 - 8.1-9.0 Violated in 20 structures by 1.80 A. Peak 11287 from aliabs.peaks (4.59, 2.44, 33.48 ppm; 3.55 A increased from 3.16 A): 2 out of 3 assignments used, quality = 0.98: * HA GLN 82 + HG3 GLN 82 OK 91 100 100 91 2.0-3.6 4.1=66, 11299/1.8=35...(10) HA GLN 82 + HG2 GLN 82 OK 74 99 80 93 2.2-4.2 4.1=66, 11299/1.8=43...(11) HA VAL 57 - HG2 GLU 55 far 0 59 0 - 6.3-8.2 Violated in 0 structures by 0.00 A. Peak 11288 from aliabs.peaks (4.59, 2.09, 28.29 ppm; 3.98 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 82 + HB3 GLN 82 OK 100 100 100 100 2.3-2.9 3.0=100 HA VAL 57 + HB3 GLN 61 OK 30 67 45 99 4.2-4.9 3.2/9378=35...(30) HA VAL 57 - HB2 GLN 61 far 0 74 0 - 4.8-5.9 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 1 assignment used, quality = 1.00: * HA GLN 82 + HB2 GLN 82 OK 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 11290 from aliabs.peaks (2.43, 2.21, 28.29 ppm; 3.66 A): 3 out of 7 assignments used, quality = 1.00: HG2 GLN 82 + HB2 GLN 82 OK 100 100 100 100 2.2-2.8 2.9=100 HG3 GLN 82 + HB2 GLN 82 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 GLU 97 + HB3 GLU 97 OK 21 21 100 100 2.6-3.0 2.9=100 HG2 GLN 101 - HB3 GLU 97 far 2 45 5 - 3.6-8.7 HG2 MET 11 - HB3 GLU 97 far 0 37 0 - 8.1-35.7 HG3 GLN 61 - HB2 GLN 68 far 0 59 0 - 9.3-11.6 HG2 MET 11 - HB2 GLN 82 far 0 92 0 - 9.3-49.6 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 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 PRO 81 - HB2 GLN 82 far 0 94 0 - 6.7-7.1 HB3 GLU 44 - HB2 GLN 68 far 0 65 0 - 7.9-11.0 HB2 GLU 102 - HB3 GLU 97 far 0 41 0 - 8.6-10.4 HG3 GLN 134 - HB2 GLN 82 far 0 90 0 - 9.9-13.3 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 11 assignments used, quality = 1.00: HG3 GLN 82 + HB3 GLN 82 OK 100 100 100 100 2.6-3.0 2.9=100 HG2 GLN 82 + HB3 GLN 82 OK 99 99 100 100 2.6-3.0 2.9=100 HG3 GLU 128 + HB2 GLU 128 OK 57 57 100 100 2.3-3.0 3.0=100 HG3 GLN 61 + HB2 GLN 61 OK 35 35 100 100 2.7-3.0 3.0=100 HG3 GLN 61 + HB3 GLN 61 OK 31 31 100 100 2.3-2.9 3.0=100 HG2 GLN 101 + HB2 GLU 102 OK 26 59 75 59 3.2-6.2 7450/7455=33...(8) HB3 PRO 58 - HB3 GLN 61 far 0 35 0 - 4.6-5.0 HB3 PRO 58 - HB2 GLN 61 far 0 39 0 - 4.9-5.7 HG2 MET 11 - HB2 GLU 128 far 0 65 0 - 7.7-48.5 HG2 GLU 55 - HB3 GLN 61 far 0 60 0 - 7.9-10.5 HG2 GLU 55 - HB2 GLN 61 far 0 66 0 - 8.9-11.4 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 0 50 0 - 4.8-5.9 HB2 GLN 101 - HB2 GLU 102 far 0 63 0 - 5.1-6.5 HB2 PRO 81 - HB3 GLN 82 far 0 88 0 - 5.2-6.0 HG2 GLN 68 - HB3 GLU 44 far 0 61 0 - 6.8-9.8 HG2 GLU 91 - HB2 GLU 128 far 0 65 0 - 7.0-10.4 HB2 GLN 68 - HB3 GLU 44 far 0 57 0 - 7.9-11.0 HB3 GLN 68 - HB3 GLU 44 far 0 47 0 - 8.2-10.1 HB VAL 133 - HB3 GLN 82 far 0 95 0 - 8.3-11.6 HB3 GLN 104 - HB2 GLU 102 far 0 45 0 - 8.3-9.4 HB3 GLU 97 - HB2 GLU 102 far 0 51 0 - 8.6-10.4 HB2 GLN 104 - HB2 GLU 102 far 0 55 0 - 8.7-9.6 HB VAL 133 - HB2 GLU 128 far 0 60 0 - 9.0-10.6 HB3 GLN 104 - HB3 GLN 61 far 0 47 0 - 9.2-10.3 HB3 GLN 104 - HB2 GLN 61 far 0 52 0 - 9.6-10.7 HB VAL 133 - HB3 GLU 44 far 0 61 0 - 9.7-10.6 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 = 0.94: HA THR 83 + HA GLN 82 OK 94 95 100 100 4.3-4.5 3.0/9765=90, 3.6/9779=80...(5) 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 = 0.96: HG3 GLN 82 + HA GLN 82 OK 86 100 100 86 2.0-3.6 11210=56, 1.8/11210=31...(9) HG2 GLN 82 + HA GLN 82 OK 71 99 80 89 2.2-4.2 4.1=55, 1.8/11210=40...(11) Violated in 4 structures by 0.01 A. Peak 11300 from aliabs.peaks (2.20, 4.59, 55.29 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: HB2 GLN 82 + HA GLN 82 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 PRO 81 - HA GLN 82 far 0 88 0 - 5.4-6.0 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 3 assignments used, quality = 0.92: HB3 GLN 82 + HA GLN 82 OK 92 92 100 100 2.3-2.9 3.0=100 HG3 PRO 81 - HA GLN 82 far 0 71 0 - 4.4-7.0 HB2 PRO 81 - HA GLN 82 far 0 87 0 - 5.4-6.0 Violated in 0 structures by 0.00 A. Peak 11302 from aliabs.peaks (1.80, 4.59, 55.29 ppm; 5.86 A increased from 5.51 A): 1 out of 4 assignments used, quality = 0.95: HB2 ARG 84 + HA GLN 82 OK 95 96 100 99 4.6-5.9 11407/4.1=78...(8) HB2 LYS 86 - HA GLN 82 far 15 100 15 - 5.8-8.2 HB3 ARG 135 - HA GLN 82 far 0 81 0 - 6.8-8.2 HB3 LYS 19 - HA GLN 82 far 0 97 0 - 8.3-38.4 Violated in 1 structures by 0.00 A. Peak 11303 from aliabs.peaks (1.94, 4.59, 55.29 ppm; 5.01 A): 1 out of 2 assignments used, quality = 0.99: HB3 PRO 81 + HA GLN 82 OK 99 99 100 100 3.9-5.0 5.0=100 HB3 LYS 86 - HA GLN 82 far 0 95 0 - 5.8-7.2 Violated in 3 structures by 0.00 A. Peak 11304 from aliabs.peaks (1.66, 4.59, 55.29 ppm; 6.32 A increased from 5.32 A): 2 out of 7 assignments used, quality = 0.98: HG3 ARG 84 + HA GLN 82 OK 89 90 100 99 4.7-6.6 3.0/11302=81...(7) HG2 ARG 84 + HA GLN 82 OK 84 85 100 99 4.4-6.5 3.0/11302=81...(7) HD3 LYS 86 - HA GLN 82 far 0 100 0 - 6.9-8.1 HD2 LYS 86 - HA GLN 82 far 0 100 0 - 7.3-9.3 HD3 LYS 19 - HA GLN 82 far 0 99 0 - 8.3-41.4 QB ALA 88 - HA GLN 82 far 0 99 0 - 8.5-9.3 HD2 LYS 19 - HA GLN 82 far 0 99 0 - 8.5-41.2 Violated in 0 structures by 0.00 A. Peak 11305 from aliabs.peaks (1.43, 4.59, 55.29 ppm; 6.05 A): 0 out of 2 assignments used, quality = 0.00: HG3 LYS 19 - HA GLN 82 far 0 99 0 - 6.8-39.7 HG2 LYS 86 - HA GLN 82 far 0 87 0 - 7.1-8.9 Violated in 20 structures by 1.79 A. Peak 11306 from aliabs.peaks (1.22, 4.59, 55.29 ppm; 5.74 A increased from 5.40 A): 1 out of 2 assignments used, quality = 0.97: QG2 THR 83 + HA GLN 82 OK 97 97 100 100 5.4-5.5 2.1/9765=90, 9775/3.6=86...(5) HG12 ILE 80 - HA GLN 82 poor 19 97 20 - 6.1-7.1 Violated in 0 structures by 0.00 A. Peak 11307 from aliabs.peaks (0.83, 2.43, 33.48 ppm; 4.55 A): 4 out of 14 assignments used, quality = 0.93: QG2 ILE 80 + HG3 GLN 82 OK 60 90 70 95 3.1-5.2 11263/2.9=69...(11) QD1 LEU 98 + HG2 GLN 101 OK 55 58 100 95 3.6-4.9 ~10051=39, ~10051=38...(11) QG2 ILE 80 + HG2 GLN 82 OK 53 92 60 95 4.5-5.6 11263/2.9=69...(10) QG2 VAL 57 + HG2 GLU 55 OK 21 24 90 95 2.9-5.4 ~9315=49, ~9315=48...(7) QD1 LEU 70 - HG2 GLN 101 far 0 84 0 - 5.5-9.1 QD2 LEU 70 - HG2 GLN 101 far 0 63 0 - 5.7-9.5 HG13 ILE 80 - HG3 GLN 82 far 0 85 0 - 5.8-9.3 QD1 LEU 122 - HG2 GLN 101 far 0 71 0 - 6.0-10.3 QG1 VAL 133 - HG3 GLN 82 far 0 97 0 - 6.1-10.1 QG1 VAL 133 - HG2 GLN 82 far 0 98 0 - 7.0-10.1 HG13 ILE 80 - HG2 GLN 82 far 0 87 0 - 7.5-9.4 QD1 LEU 122 - HG2 GLU 55 far 0 28 0 - 9.0-12.7 QG2 ILE 129 - HG3 GLN 82 far 0 98 0 - 9.2-12.7 QG2 ILE 129 - HG2 GLN 82 far 0 99 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 11308 from aliabs.peaks (2.21, 2.44, 33.48 ppm; 3.04 A): 3 out of 11 assignments used, quality = 1.00: HB2 GLN 82 + HG3 GLN 82 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLN 82 + HG2 GLN 82 OK 99 99 100 100 2.2-2.8 2.9=100 HB2 GLN 101 + HG2 GLN 101 OK 95 95 100 100 2.3-3.0 2.9=100 HB3 GLU 97 - HG2 GLN 101 far 4 89 5 - 3.6-8.7 HB3 GLU 102 - HG2 GLN 101 far 0 74 0 - 3.8-6.3 HB2 PRO 81 - HG3 GLN 82 far 0 84 0 - 4.8-8.1 HB2 PRO 81 - HG2 GLN 82 far 0 82 0 - 6.1-7.7 HB2 GLN 104 - HG2 GLN 101 far 0 74 0 - 8.1-9.2 HB VAL 133 - HG3 GLN 82 far 0 85 0 - 8.2-12.4 HB3 GLN 104 - HG2 GLN 101 far 0 84 0 - 8.3-9.0 HB VAL 133 - HG2 GLN 82 far 0 83 0 - 9.0-12.1 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 13 assignments used, quality = 1.00: HB3 GLN 82 + HG3 GLN 82 OK 100 100 100 100 2.6-3.0 2.9=100 HB3 GLN 82 + HG2 GLN 82 OK 99 99 100 100 2.6-3.0 2.9=100 HB2 GLU 102 + HG2 GLN 101 OK 21 94 45 49 3.2-6.2 7455/7450=25...(8) HB2 PRO 81 - HG3 GLN 82 far 0 92 0 - 4.8-8.1 HB VAL 57 - HG2 GLU 55 far 0 58 0 - 5.8-8.2 HB2 PRO 81 - HG2 GLN 82 far 0 90 0 - 6.1-7.7 HB3 GLN 61 - HG2 GLU 55 far 0 50 0 - 7.9-10.5 HB2 LEU 62 - HG2 GLU 55 far 0 28 0 - 8.5-11.9 HB2 GLN 61 - HG2 GLU 55 far 0 53 0 - 8.9-11.4 HB VAL 118 - HG2 GLN 101 far 0 72 0 - 9.0-10.3 HG3 GLN 134 - HG2 GLN 82 far 0 96 0 - 9.3-13.2 HG3 GLN 134 - HG3 GLN 82 far 0 97 0 - 9.4-13.9 HB3 LYS 39 - HG3 GLN 82 far 0 99 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 11310 from aliabs.peaks (0.84, 2.09, 28.29 ppm; 4.29 A increased from 3.61 A): 2 out of 15 assignments used, quality = 0.78: QG2 VAL 57 + HB3 GLN 61 OK 59 59 100 100 3.7-4.5 10989/3.0=51, ~9377=42...(29) QG2 ILE 80 + HB3 GLN 82 OK 46 60 85 90 2.9-5.2 11261/4.0=45...(10) QD1 LEU 98 - HB2 GLU 102 far 8 53 15 - 3.9-6.6 QG2 VAL 57 - HB2 GLN 61 far 3 65 5 - 4.9-5.6 QG2 ILE 129 - HB2 GLU 128 far 0 50 0 - 5.5-6.3 QD2 LEU 69 - HB3 GLU 44 far 0 47 0 - 5.8-7.1 QG1 VAL 133 - HB3 GLN 82 far 0 100 0 - 6.0-9.1 QG1 VAL 133 - HB3 GLU 44 far 0 68 0 - 7.9-8.6 QD2 LEU 69 - HB2 GLU 128 far 0 46 0 - 8.7-9.5 QD2 LEU 70 - HB2 GLU 128 far 0 60 0 - 8.9-9.6 QG1 VAL 133 - HB2 GLU 128 far 0 67 0 - 9.3-10.7 QD2 LEU 70 - HB2 GLU 102 far 0 56 0 - 9.4-10.5 QG2 ILE 129 - HB3 GLU 44 far 0 50 0 - 9.5-10.6 QG2 ILE 129 - HB3 GLN 82 far 0 83 0 - 9.5-12.2 QD2 LEU 22 - HB3 GLN 82 far 0 100 0 - 9.8-27.9 Violated in 0 structures by 0.00 A. Peak 11312 from aliabs.peaks (1.80, 1.23, 22.04 ppm; 3.80 A): 1 out of 6 assignments used, quality = 0.99: HB2 LYS 86 + QG2 THR 83 OK 99 99 100 100 3.2-3.9 1.8/9760=70, 3.5/9759=51...(20) HB2 ARG 84 - QG2 THR 83 far 0 99 0 - 5.2-5.8 HB3 LYS 19 - QG2 THR 83 far 0 99 0 - 8.0-30.7 HB3 ARG 135 - QG2 THR 83 far 0 89 0 - 9.0-10.4 HB3 ARG 23 - QG2 THR 83 far 0 89 0 - 9.4-25.0 HB2 CYS 79 - QG2 THR 83 far 0 60 0 - 9.7-10.5 Violated in 3 structures by 0.01 A. Peak 11313 from aliabs.peaks (2.45, 1.23, 22.04 ppm; 4.70 A): 0 out of 3 assignments used, quality = 0.00: HG2 GLN 82 - QG2 THR 83 far 0 89 0 - 5.8-7.4 HG3 GLN 82 - QG2 THR 83 far 0 95 0 - 6.3-7.2 HG2 MET 11 - QG2 THR 83 far 0 100 0 - 9.1-40.9 Violated in 20 structures by 1.22 A. Peak 11314 from aliabs.peaks (2.44, 1.81, 29.11 ppm; 5.39 A): 2 out of 3 assignments used, quality = 1.00: HG2 GLN 82 + HB2 ARG 84 OK 94 95 100 99 3.3-5.3 11315/1.8=76...(13) HG3 GLN 82 + HB2 ARG 84 OK 93 98 95 100 3.0-6.2 1.8/11407=91, ~11315=60...(14) HG2 MET 11 - HB2 ARG 84 far 5 100 5 - 5.8-51.6 Violated in 0 structures by 0.00 A. Peak 11315 from aliabs.peaks (2.45, 1.90, 29.11 ppm; 5.64 A increased from 4.75 A): 1 out of 3 assignments used, quality = 0.87: HG2 GLN 82 + HB3 ARG 84 OK 87 90 100 96 5.0-5.5 11314/1.8=44...(13) HG3 GLN 82 - HB3 ARG 84 far 10 96 10 - 4.7-7.0 HG2 MET 11 - HB3 ARG 84 far 5 100 5 - 4.7-51.9 Violated in 0 structures by 0.00 A. Peak 11316 from aliabs.peaks (2.43, 1.64, 26.79 ppm; 5.45 A): 4 out of 9 assignments used, quality = 1.00: HG2 GLN 82 + HG3 ARG 84 OK 98 100 100 99 3.0-5.6 11407/3.0=62...(14) HG2 GLN 82 + HG2 ARG 84 OK 94 100 95 99 2.7-6.7 11407/3.0=62...(14) HG3 GLN 82 + HG3 ARG 84 OK 84 100 85 99 3.4-6.5 ~11407=62, ~11315=51...(16) HG3 GLN 82 + HG2 ARG 84 OK 69 100 70 99 3.5-7.4 ~11407=62, ~11315=51...(16) HG2 MET 11 - HG3 ARG 84 far 0 96 0 - 6.6-53.7 HG2 MET 11 - HG2 ARG 84 far 0 97 0 - 7.6-52.7 HG3 GLN 61 - HG LEU 119 far 0 35 0 - 9.1-10.9 HG2 MET 11 - HG LEU 22 far 0 66 0 - 9.3-30.5 HB3 PRO 58 - HG LEU 119 far 0 38 0 - 9.6-11.0 Violated in 0 structures by 0.00 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 3.9-4.1 2.1/9782=80, 7088/2.8=63...(14) HA ALA 88 - HA ARG 84 far 0 63 0 - 6.7-7.9 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 - 7.9-9.8 Violated in 20 structures by 2.75 A. Peak 11320 from aliabs.peaks (1.92, 4.81, 54.84 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.83: HB3 ARG 84 + HA ASN 85 OK 83 90 100 92 4.4-5.5 ~2541=36, ~7106=23...(13) HB2 ARG 90 - HA ASN 85 far 0 99 0 - 8.0-8.6 HB2 MET 11 - HA ASN 85 far 0 100 0 - 8.8-47.0 Violated in 0 structures by 0.00 A. Peak 11321 from aliabs.peaks (2.08, 4.81, 54.84 ppm; 6.80 A): 2 out of 5 assignments used, quality = 0.95: HB3 GLN 82 + HA ASN 85 OK 93 93 100 100 5.7-7.1 9789/3.0=93...(12) HG3 GLU 91 + HA ASN 85 OK 20 90 25 89 6.9-9.1 9910/2750=74, 11912/11361=59 HG3 PRO 81 - HA ASN 85 far 3 68 5 - 6.7-9.9 HG3 GLN 134 - HA ASN 85 far 0 100 0 - 9.0-11.3 HB2 PRO 81 - HA ASN 85 far 0 87 0 - 9.2-10.9 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 4.1-4.5 ~11743=81, ~10545=80...(22) QG1 VAL 132 + HA ASN 85 OK 97 97 100 100 1.9-2.1 9794/3.0=95...(21) Violated in 0 structures by 0.00 A. Peak 11323 from aliabs.peaks (1.66, 2.82, 37.45 ppm; 4.91 A): 3 out of 10 assignments used, quality = 0.99: QB ALA 88 + HB3 ASN 85 OK 95 100 95 100 4.4-5.5 2750/3.0=92, 9853/1.8=86...(11) HB2 LEU 123 + HB2 ASN 120 OK 68 68 100 100 4.0-4.9 3813/3.0=76, ~3927=54...(21) HB2 LEU 123 + HB3 ASN 120 OK 57 60 95 100 4.9-5.5 3813/3.0=76, ~3927=54...(21) HG2 ARG 84 - HB3 ASN 85 far 12 78 15 - 4.3-8.0 HG3 ARG 84 - HB3 ASN 85 far 0 85 0 - 5.9-7.8 HD3 LYS 86 - HB3 ASN 85 far 0 99 0 - 6.7-8.0 HD2 LYS 86 - HB3 ASN 85 far 0 100 0 - 6.8-8.4 HG LEU 43 - HB3 ASN 85 far 0 90 0 - 9.5-10.6 HD2 LYS 39 - HB3 ASN 85 far 0 83 0 - 9.7-11.5 HG LEU 62 - HB3 ASN 120 far 0 56 0 - 9.9-11.0 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 = 1.00: QD1 ILE 80 + HB2 ASN 85 OK 100 100 100 100 3.1-4.1 11222/1.8=98...(19) QG2 VAL 93 - HB2 ASN 85 far 0 83 0 - 7.5-9.2 Violated in 0 structures by 0.00 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 2.8-3.5 3.1/11172=99...(18) Violated in 0 structures by 0.00 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 4.0-4.3 9677/11193=85...(14) 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 4.3-4.9 2.1/11193=97, ~9663=61...(24) Violated in 0 structures by 0.00 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 3.1-4.1 1.8/2693=98, 2704=93...(23) HE3 LYS 19 - HA LYS 86 far 0 95 0 - 8.3-40.5 HD2 ARG 135 - HA LYS 86 far 0 89 0 - 9.3-10.5 HE2 LYS 19 - HA LYS 86 far 0 95 0 - 9.6-40.4 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 3.6-5.0 1.8/2704=100, 2693=100...(20) Violated in 0 structures by 0.00 A. Peak 11334 from aliabs.peaks (0.80, 1.96, 32.49 ppm; 4.26 A): 2 out of 17 assignments used, quality = 0.97: QG2 ILE 80 + HB3 LYS 86 OK 85 85 100 100 2.6-3.7 11240=74, 9821/1.8=72...(37) QG2 ILE 80 + HB3 PRO 81 OK 80 80 100 100 4.1-4.8 9742/4.1=39...(30) QD2 LEU 122 - HB3 LYS 95 far 5 33 15 - 4.7-7.9 QD1 LEU 122 - HB3 LYS 95 far 0 33 0 - 4.9-8.4 HG13 ILE 80 - HB3 LYS 86 far 0 90 0 - 5.9-7.1 QD2 LEU 119 - HB2 PRO 58 far 0 63 0 - 6.0-7.0 QD1 LEU 96 - HB3 LYS 95 far 0 22 0 - 6.2-7.1 HG13 ILE 80 - HB3 PRO 81 far 0 86 0 - 6.3-7.4 QD1 LEU 103 - HB2 PRO 58 far 0 55 0 - 6.6-8.1 QD1 LEU 70 - HB3 LYS 95 far 0 29 0 - 8.0-8.6 QG1 VAL 63 - HB2 PRO 58 far 0 56 0 - 8.0-8.3 QG2 ILE 129 - HB3 LYS 86 far 0 63 0 - 8.4-9.1 QD2 LEU 49 - HB3 LYS 95 far 0 36 0 - 8.6-9.8 QD1 LEU 53 - HB3 LYS 95 far 0 36 0 - 8.8-11.3 QD1 LEU 53 - HB2 PRO 58 far 0 65 0 - 9.0-11.5 QD1 LEU 122 - HB2 PRO 58 far 0 60 0 - 9.4-12.8 QD2 LEU 122 - HB2 PRO 58 far 0 60 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 11335 from aliabs.peaks (0.83, 1.66, 29.78 ppm; 4.35 A increased from 4.09 A): 2 out of 10 assignments used, quality = 0.99: QG2 ILE 80 + HD3 LYS 86 OK 95 95 100 100 3.9-4.5 11240/3.5=63...(48) QG2 ILE 80 + HD2 LYS 86 OK 86 96 90 100 3.6-5.0 11240/3.5=63...(47) HG13 ILE 80 - HD2 LYS 86 far 0 92 0 - 6.0-7.6 QD2 LEU 22 - HD3 LYS 86 far 0 92 0 - 6.2-22.2 QD2 LEU 22 - HD2 LYS 86 far 0 93 0 - 6.5-21.6 HG13 ILE 80 - HD3 LYS 86 far 0 91 0 - 7.0-7.7 QG1 VAL 133 - HD2 LYS 86 far 0 96 0 - 8.8-11.1 QG2 ILE 129 - HD2 LYS 86 far 0 100 0 - 8.9-9.6 QG2 ILE 129 - HD3 LYS 86 far 0 100 0 - 9.5-10.1 QG1 VAL 133 - HD3 LYS 86 far 0 95 0 - 9.6-11.2 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 = 1.00: QG1 VAL 77 + HD2 LYS 86 OK 100 100 100 100 2.9-3.7 11180=100, 9650/3.0=62...(36) QG1 VAL 77 + HD3 LYS 86 OK 45 100 45 100 4.1-5.0 11180/1.8=83...(35) QG2 VAL 133 - HD2 LYS 86 far 0 97 0 - 7.9-8.7 QG2 VAL 133 - HD3 LYS 86 far 0 97 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 11337 from aliabs.peaks (1.18, 1.66, 29.78 ppm; 3.87 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 77 + HD2 LYS 86 OK 97 97 100 100 3.2-3.6 2.1/11180=73...(34) QG2 VAL 77 + HD3 LYS 86 OK 96 96 100 100 3.9-4.2 11742/3.0=61...(34) QG2 THR 18 - HD3 LYS 86 far 0 97 0 - 7.6-28.6 QG2 THR 18 - HD2 LYS 86 far 0 97 0 - 7.6-28.0 Violated in 0 structures by 0.00 A. Peak 11339 from aliabs.peaks (1.18, 1.48, 25.19 ppm; 4.18 A): 1 out of 3 assignments used, quality = 0.99: QG2 VAL 77 + HG3 LYS 86 OK 99 99 100 100 1.9-3.5 11742/1.8=89...(28) QB ALA 41 - HG3 LYS 36 far 3 50 5 - 4.6-5.6 QG2 THR 18 - HG3 LYS 86 far 0 95 0 - 9.0-29.8 Violated in 0 structures by 0.00 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 1.7-1.9 11742=98, 11182/1.8=86...(31) QG2 THR 18 - HG2 LYS 86 far 0 95 0 - 9.2-29.9 Violated in 0 structures by 0.00 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 4.3-5.2 11342/1.8=83...(21) HA VAL 133 - HG2 LYS 86 far 0 63 0 - 7.5-9.6 Violated in 2 structures by 0.01 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 2.8-5.2 2636/3.0=78...(21) HA VAL 133 - HG3 LYS 86 far 0 63 0 - 7.7-10.2 Violated in 2 structures by 0.02 A. Peak 11343 from aliabs.peaks (3.75, 1.66, 29.78 ppm; 4.04 A): 1 out of 3 assignments used, quality = 0.97: HA THR 83 + HD3 LYS 86 OK 97 98 100 99 2.9-4.0 2517/9759=64...(13) HA THR 83 - HD2 LYS 86 far 15 99 15 - 4.1-5.4 HA VAL 133 - HD2 LYS 86 far 0 85 0 - 9.5-10.9 Violated in 0 structures by 0.00 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 0 100 0 - 6.8-8.1 HA ALA 92 - QD PHE 87 far 0 65 0 - 8.2-9.6 Violated in 20 structures by 1.28 A. Peak 11347 from aliabs.peaks (1.76, 4.27, 61.07 ppm; 4.81 A): 2 out of 12 assignments used, quality = 0.77: HG3 ARG 90 + HA PHE 87 OK 52 63 85 98 4.1-6.3 2.9/2723=73, 2.9/2804=55...(8) HB2 LYS 86 + HA PHE 87 OK 51 60 85 100 3.8-5.6 ~7157=59, ~2647=52...(16) HB2 LYS 26 - HA THR 25 poor 19 20 95 - 4.5-5.6 HG3 ARG 90 - HA SER 74 poor 5 22 25 - 3.7-6.6 HB2 LYS 19 - HA SER 74 far 0 29 0 - 5.6-34.6 HB2 ARG 23 - HA THR 25 far 0 25 0 - 6.8-9.4 HB ILE 80 - HA PHE 87 far 0 57 0 - 7.7-8.3 HG13 ILE 129 - HA SER 74 far 0 30 0 - 8.3-11.2 HB2 LYS 86 - HA SER 74 far 0 21 0 - 8.4-10.0 HB2 LYS 24 - HA SER 74 far 0 30 0 - 8.6-21.9 HG13 ILE 129 - HA PHE 87 far 0 81 0 - 9.1-13.1 HB2 ARG 23 - HA SER 74 far 0 38 0 - 9.3-25.5 Violated in 0 structures by 0.00 A. Peak 11348 from aliabs.peaks (1.80, 3.23, 38.11 ppm; 4.97 A increased from 4.68 A): 2 out of 5 assignments used, quality = 0.93: HB2 LYS 86 + HB2 PHE 87 OK 90 100 90 100 4.0-5.6 1.8/9833=79, 7156/4.0=72...(10) HB2 LYS 86 + HB3 PHE 87 OK 34 97 35 100 5.2-6.9 7156/4.0=72, ~9833=61...(10) HB2 ARG 84 - HB2 PHE 87 far 0 95 0 - 5.9-7.2 HB2 ARG 84 - HB3 PHE 87 far 0 89 0 - 6.8-8.4 HB3 ARG 135 - HB2 PHE 87 far 0 78 0 - 9.7-12.5 Violated in 3 structures by 0.06 A. Peak 11349 from aliabs.peaks (1.78, 7.32, 131.40 ppm; 5.81 A): 1 out of 2 assignments used, quality = 0.97: HB2 LYS 86 + QD PHE 87 OK 97 97 100 100 4.3-6.1 1.8/9839=89...(10) HB2 ARG 84 - QD PHE 87 poor 17 68 25 - 4.8-7.5 Violated in 3 structures by 0.03 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; 6.01 A increased from 5.34 A): 1 out of 2 assignments used, quality = 0.81: HG3 GLU 91 + QD PHE 87 OK 81 81 100 100 3.4-6.1 1.8/9918=97...(11) HB3 GLN 82 - QD PHE 87 far 0 85 0 - 8.4-10.4 Violated in 1 structures by 0.00 A. Peak 11352 from aliabs.peaks (2.21, 7.32, 131.40 ppm; 5.29 A increased from 4.98 A): 1 out of 2 assignments used, quality = 1.00: HG2 GLU 91 + QD PHE 87 OK 100 100 100 100 3.4-5.2 9918=100, 1.8/11351=65...(11) HB2 GLN 82 - QD PHE 87 far 0 100 0 - 6.9-8.9 Violated in 0 structures by 0.00 A. Peak 11353 from aliabs.peaks (2.00, 3.23, 38.11 ppm; 5.19 A increased from 4.88 A): 1 out of 10 assignments used, quality = 0.89: HB2 GLU 91 + HB3 PHE 87 OK 89 94 95 100 4.4-5.8 3.0/11354=57...(14) QE MET 11 - HB3 PHE 87 far 3 65 5 - 5.4-38.9 HB2 GLU 91 - HB2 PHE 87 far 0 99 0 - 5.8-7.3 QE MET 11 - HB2 PHE 87 far 0 71 0 - 6.1-38.6 HG2 ARG 90 - HB2 PHE 87 far 0 83 0 - 6.5-7.9 HG2 ARG 90 - HB3 PHE 87 far 0 77 0 - 6.6-7.8 HB3 MET 11 - HB3 PHE 87 far 0 93 0 - 6.8-43.8 HB3 MET 11 - HB2 PHE 87 far 0 97 0 - 7.6-44.5 HB VAL 20 - HB2 PHE 87 far 0 100 0 - 8.2-37.6 HB VAL 20 - HB3 PHE 87 far 0 97 0 - 8.8-38.6 Violated in 2 structures by 0.05 A. Peak 11354 from aliabs.peaks (2.21, 3.23, 38.11 ppm; 5.86 A increased from 5.21 A): 1 out of 4 assignments used, quality = 0.97: HG2 GLU 91 + HB3 PHE 87 OK 97 97 100 100 4.6-5.8 9918/2.5=88...(12) HG2 GLU 91 - HB2 PHE 87 far 10 100 10 - 5.9-7.1 HB2 GLN 82 - HB2 PHE 87 far 0 100 0 - 7.8-8.8 HB2 GLN 82 - HB3 PHE 87 far 0 97 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 11355 from aliabs.peaks (0.87, 3.23, 38.11 ppm; 6.42 A): 0 out of 2 assignments used, quality = 0.00: QG2 VAL 20 - HB2 PHE 87 far 0 83 0 - 7.1-30.5 QG2 VAL 20 - HB3 PHE 87 far 0 77 0 - 7.8-31.3 Violated in 20 structures by 9.01 A. Peak 11356 from aliabs.peaks (3.76, 7.32, 131.40 ppm; 6.32 A): 1 out of 2 assignments used, quality = 0.83: HA THR 83 + QD PHE 87 OK 83 83 100 100 5.1-6.2 3.2/9776=98...(11) HA VAL 133 - QD PHE 87 far 0 99 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 11357 from aliabs.peaks (3.75, 3.23, 38.11 ppm; 6.15 A increased from 5.17 A): 1 out of 2 assignments used, quality = 0.93: HA THR 83 + HB2 PHE 87 OK 93 93 100 100 5.6-5.9 3.2/9835=91, 7150/4.0=74...(14) HA THR 83 - HB3 PHE 87 far 0 88 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 11358 from aliabs.peaks (3.78, 4.27, 61.07 ppm; 5.91 A increased from 4.98 A): 2 out of 4 assignments used, quality = 0.88: HA ARG 90 + HA PHE 87 OK 83 83 100 100 5.9-6.3 2.9/7206=93, 3.0/2723=92...(7) HA ARG 90 + HA SER 74 OK 30 31 100 97 5.3-5.9 11192/11195=61...(9) HB3 SER 9 - HA PHE 87 far 0 81 0 - 9.3-49.1 HA GLU 97 - HA SER 74 far 0 34 0 - 9.8-10.8 Violated in 0 structures by 0.00 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 4.7-5.5 3.1/11362=100...(13) 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 5.2-5.8 2750/2.1=95, 7174/2.9=95...(17) 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 3.8-4.0 2.9/7195=75, 11370=57...(15) HA ALA 92 - QB ALA 88 far 0 93 0 - 5.7-6.9 Violated in 0 structures by 0.00 A. Peak 11363 from aliabs.peaks (3.22, 1.66, 18.14 ppm; 5.12 A increased from 4.31 A): 3 out of 8 assignments used, quality = 1.00: HB2 PHE 87 + QB ALA 88 OK 97 97 100 100 4.5-5.1 4.5/7185=79, 2.5/9836=61...(21) HB3 PHE 87 + QB ALA 88 OK 87 87 100 100 3.6-5.0 4.5/7185=79, 2.5/9836=61...(22) HD3 ARG 135 + QB ALA 88 OK 71 87 100 82 3.9-5.7 10635/9857=42...(6) HD2 ARG 84 - QB ALA 88 far 9 63 15 - 3.9-8.5 HD3 ARG 84 - QB ALA 88 far 9 63 15 - 4.4-8.5 HB3 HIS 10 - QB ALA 88 far 3 60 5 - 5.0-39.3 HB3 HIS 8 - QB ALA 88 far 0 100 0 - 6.9-44.9 HB3 CYS 125 - QB ALA 88 far 0 90 0 - 8.6-10.5 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 4.4-4.9 4.7=100 HB3 SER 74 + QE PHE 89 OK 31 68 90 50 5.8-6.7 11187/9673=23...(4) HA CYS 79 - QE PHE 89 far 0 83 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 11365 from aliabs.peaks (3.42, 7.41, 131.12 ppm; 5.89 A): 3 out of 4 assignments used, quality = 0.94: HA VAL 77 + QE PHE 89 OK 73 73 100 100 3.6-4.4 3.0/9671=96, 3.2/9676=93...(26) HA ILE 129 + QE PHE 89 OK 63 63 100 100 3.6-5.0 3.2/10457=97...(21) HA LYS 39 + QE PHE 89 OK 40 63 100 63 5.6-6.1 10578/11756=34...(3) HA VAL 126 - QE PHE 89 far 0 98 0 - 6.9-7.2 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 4.4-4.4 4.5=100 HB3 CYS 73 + QE PHE 89 OK 100 100 100 100 1.8-3.7 3.0/11145=82, ~9538=58...(16) 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 25 68 60 61 5.4-6.0 9095/11891=29...(3) 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 3.6-4.9 11669/10552=83...(18) HB3 GLN 134 - QE PHE 89 far 0 78 0 - 7.7-9.6 HG3 GLN 68 - QE PHE 89 far 0 96 0 - 8.9-9.8 HG2 GLU 44 - QE PHE 89 far 0 98 0 - 9.3-11.5 Violated in 0 structures by 0.00 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 2.9-4.1 9667=100, 2401/9677=96...(27) HA ILE 129 + QD PHE 89 OK 99 99 100 100 3.3-4.1 10459=99, 10458/2.2=75...(22) HA VAL 126 - QD PHE 89 far 0 95 0 - 7.6-7.9 HA LEU 42 - QD PHE 89 far 0 81 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 11369 from aliabs.peaks (3.45, 4.08, 62.01 ppm; 5.30 A): 1 out of 3 assignments used, quality = 0.99: HA ILE 129 + HA PHE 89 OK 99 99 100 100 3.0-3.6 9952/2897=78...(23) HA VAL 77 - HA PHE 89 far 0 100 0 - 6.2-6.7 HA VAL 126 - HA PHE 89 far 0 95 0 - 7.8-8.2 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 7 assignments used, quality = 0.99: QB ALA 88 + HA PHE 89 OK 99 99 100 100 3.8-4.0 7195/2.9=86, 11362=81...(15) HD2 LYS 95 - HA PHE 89 far 0 89 0 - 7.8-10.8 HD3 LYS 95 - HA PHE 89 far 0 96 0 - 8.2-10.4 HD2 LYS 86 - HA PHE 89 far 0 92 0 - 9.1-9.5 HD3 LYS 86 - HA PHE 89 far 0 87 0 - 9.2-9.7 HB2 LEU 69 - HA PHE 89 far 0 81 0 - 9.6-10.1 HG LEU 43 - HA PHE 89 far 0 63 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 11371 from aliabs.peaks (0.82, 3.34, 39.57 ppm; 6.00 A): 3 out of 5 assignments used, quality = 1.00: QG2 ILE 129 + HB3 PHE 89 OK 100 100 100 100 4.2-4.8 10457/4.5=86...(21) QG2 ILE 80 + HB3 PHE 89 OK 99 99 100 100 4.2-5.2 ~9747=68, ~9747=66...(22) HG13 ILE 80 + HB3 PHE 89 OK 98 98 100 100 5.0-5.7 ~9747=82, ~9747=80...(25) QG1 VAL 133 - HB3 PHE 89 far 0 87 0 - 7.1-8.0 QD1 LEU 70 - HB3 PHE 89 far 0 98 0 - 8.9-10.1 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 4 assignments used, quality = 1.00: QG2 ILE 129 + HB2 PHE 89 OK 100 100 100 100 3.8-4.6 10457/4.5=82...(24) QG2 ILE 80 + HB2 PHE 89 OK 96 96 100 100 4.1-4.8 ~9747=64, ~9747=62...(25) HG13 ILE 80 + HB2 PHE 89 OK 92 92 100 100 4.7-5.2 ~9747=78, ~9747=76...(25) QG1 VAL 133 + HB2 PHE 89 OK 48 96 50 100 6.1-7.1 10557/2.7=79, ~10554=75...(12) 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 2 assignments used, quality = 1.00: QB ALA 92 + HB2 PHE 89 OK 100 100 100 100 5.4-6.0 2897/3.0=99...(11) HG2 LYS 86 + HB2 PHE 89 OK 92 93 100 99 4.3-5.7 3.7/2765=82...(8) Violated in 0 structures by 0.00 A. Peak 11374 from aliabs.peaks (1.66, 3.32, 39.57 ppm; 6.11 A): 1 out of 6 assignments used, quality = 1.00: QB ALA 88 + HB2 PHE 89 OK 100 100 100 100 4.2-4.4 4.7=100 HD2 LYS 86 - HB2 PHE 89 far 0 100 0 - 6.8-7.8 HD3 LYS 86 - HB2 PHE 89 far 0 99 0 - 7.0-8.1 HG2 ARG 84 - HB2 PHE 89 far 0 78 0 - 7.3-10.2 HG3 ARG 84 - HB2 PHE 89 far 0 85 0 - 9.0-10.7 HG LEU 43 - HB2 PHE 89 far 0 90 0 - 9.2-10.4 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 2.5-3.6 11377/3.0=94...(23) HB3 GLN 134 - HB2 PHE 89 far 0 71 0 - 9.6-11.2 Violated in 0 structures by 0.00 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 5.0-6.2 3.0/2765=88, ~11327=59...(14) HB VAL 93 + HB2 PHE 89 OK 82 87 95 100 6.1-7.0 ~9924=81, ~9954=78...(14) HB3 ARG 135 - HB2 PHE 89 far 5 99 5 - 6.8-8.7 HB2 ARG 84 - HB2 PHE 89 far 0 100 0 - 8.1-9.6 HB2 CYS 79 - HB2 PHE 89 far 0 83 0 - 9.9-10.4 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 2 assignments used, quality = 0.76: HB VAL 132 + HA PHE 89 OK 76 76 100 100 2.9-3.5 2.1/10539=62...(24) HB3 GLN 134 - HA PHE 89 far 0 71 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 11378 from aliabs.peaks (1.16, 7.41, 131.12 ppm; 4.68 A): 2 out of 6 assignments used, quality = 0.93: QG2 VAL 132 + QE PHE 89 OK 76 81 95 100 4.6-5.4 ~11650=54, ~11943=53...(19) QG2 VAL 77 + QE PHE 89 OK 71 71 100 100 3.4-3.8 2.1/9671=87, 2.1/9673=73...(24) HG3 LYS 39 - QE PHE 89 far 0 100 0 - 6.2-7.0 HG2 LYS 39 - QE PHE 89 far 0 68 0 - 6.3-8.5 QB ALA 41 - QE PHE 89 far 0 92 0 - 7.8-8.2 QG2 THR 25 - QE PHE 89 far 0 90 0 - 9.1-17.4 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 3.8-4.5 2.1/9676=94, 2.1/9671=93...(23) QG2 VAL 133 + QE PHE 89 OK 97 97 100 100 1.8-1.9 10552=96, 10554/2.2=89...(24) Violated in 0 structures by 0.00 A. Peak 11380 from aliabs.peaks (0.83, 7.41, 131.12 ppm; 4.78 A): 3 out of 7 assignments used, quality = 1.00: QG2 ILE 129 + QE PHE 89 OK 99 99 100 100 2.1-2.6 10457=98, 10486/11891=71...(28) QG1 VAL 133 + QE PHE 89 OK 99 99 100 100 3.7-4.1 11756=98, 2.1/10552=95...(17) HG13 ILE 80 + QE PHE 89 OK 85 85 100 100 4.1-4.7 2.1/9749=78, ~9747=64...(22) QD2 LEU 70 - QE PHE 89 far 0 68 0 - 5.6-6.7 QG2 ILE 80 - QE PHE 89 far 0 90 0 - 5.7-6.2 QD1 LEU 70 - QE PHE 89 far 0 85 0 - 5.9-7.0 QD1 LEU 122 - QE PHE 89 far 0 71 0 - 8.6-10.8 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 2.4-3.1 11890=97, 2.1/11891=96...(18) QD1 ILE 129 + QE PHE 89 OK 68 68 100 100 4.1-4.8 3.0/10457=96...(18) QD1 LEU 100 - QE PHE 89 far 0 68 0 - 8.3-9.2 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 1.9-3.2 11326=94, 9924/2.2=84...(23) QD1 ILE 80 + QE PHE 89 OK 95 95 100 100 3.0-3.3 9747/2.2=86, 9749=82...(31) 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 2.8-3.6 7275=100, 7281/2793=88...(11) H ILE 129 - HA ARG 90 far 0 96 0 - 7.8-9.0 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 14 assignments used, quality = 1.00: QG2 VAL 77 + HD3 ARG 90 OK 100 100 100 100 2.3-3.5 9662/3.0=52, 9659=45...(36) QG2 VAL 77 + HD2 ARG 90 OK 100 100 100 100 1.7-2.4 9662/3.0=52, 9659=46...(36) QG2 THR 25 - HD2 ARG 23 far 0 91 0 - 7.1-9.6 QG2 THR 25 - HD3 ARG 23 far 0 89 0 - 7.1-10.2 QG2 VAL 77 - HD3 ARG 23 far 0 92 0 - 7.4-24.4 QG2 THR 18 - HD3 ARG 90 far 0 83 0 - 7.4-30.7 QG2 THR 18 - HD2 ARG 23 far 0 73 0 - 7.5-10.9 QG2 THR 18 - HD3 ARG 23 far 0 71 0 - 7.8-11.5 QG2 THR 25 - HD3 ARG 90 far 0 99 0 - 7.9-20.9 HG12 ILE 80 - HD2 ARG 90 far 0 67 0 - 8.0-8.5 QG2 THR 18 - HD2 ARG 90 far 0 82 0 - 8.4-29.9 QG2 VAL 77 - HD2 ARG 23 far 0 94 0 - 8.6-24.4 HG12 ILE 80 - HD3 ARG 90 far 0 68 0 - 8.8-10.1 QG2 THR 25 - HD2 ARG 90 far 0 98 0 - 8.8-19.5 Violated in 0 structures by 0.00 A. Peak 11385 from aliabs.peaks (1.05, 3.17, 43.17 ppm; 3.65 A): 2 out of 6 assignments used, quality = 1.00: QG1 VAL 77 + HD2 ARG 90 OK 100 100 100 100 1.8-2.9 9651/3.0=56, 9652/3.0=51...(34) QG1 VAL 77 + HD3 ARG 90 OK 100 100 100 100 1.7-3.4 9651/3.0=56, 9652/3.0=51...(34) QG1 VAL 77 - HD3 ARG 23 far 0 88 0 - 5.9-22.0 QG1 VAL 77 - HD2 ARG 23 far 0 92 0 - 6.9-22.1 QG2 VAL 133 - HD2 ARG 90 far 0 97 0 - 7.1-8.5 QG2 VAL 133 - HD3 ARG 90 far 0 97 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 11386 from aliabs.peaks (0.86, 3.17, 43.17 ppm; 4.03 A): 0 out of 15 assignments used, quality = 0.00: QD2 LEU 22 - HD3 ARG 23 far 3 66 5 - 4.4-9.1 QD1 LEU 22 - HD2 ARG 23 far 3 60 5 - 4.2-8.2 QD1 LEU 22 - HD3 ARG 23 far 3 57 5 - 3.3-9.3 QD2 LEU 22 - HD2 ARG 23 far 0 69 0 - 4.8-9.5 QG2 ILE 32 - HD3 ARG 23 far 0 61 0 - 5.7-14.8 QG2 ILE 32 - HD2 ARG 23 far 0 65 0 - 6.4-15.1 QD2 LEU 70 - HD3 ARG 90 far 0 99 0 - 6.6-9.3 QD2 LEU 70 - HD2 ARG 90 far 0 100 0 - 7.1-9.6 QD2 LEU 98 - HD3 ARG 90 far 0 82 0 - 8.2-11.2 QD2 LEU 98 - HD2 ARG 90 far 0 83 0 - 9.0-11.6 QG1 VAL 133 - HD2 ARG 90 far 0 76 0 - 9.1-10.9 QD2 LEU 98 - HD3 ARG 23 far 0 68 0 - 9.6-31.8 QD1 LEU 98 - HD3 ARG 90 far 0 100 0 - 9.6-13.1 QD2 LEU 70 - HD3 ARG 23 far 0 88 0 - 9.7-27.6 QD2 LEU 22 - HD2 ARG 90 far 0 81 0 - 9.8-24.0 Violated in 19 structures by 1.22 A. Peak 11387 from aliabs.peaks (1.40, 3.97, 58.93 ppm; 5.12 A): 1 out of 10 assignments used, quality = 0.68: QB ALA 92 + HA GLU 91 OK 68 68 100 100 5.0-5.0 9914/3.9=69...(18) HG3 LYS 95 - HA GLU 91 far 9 87 10 - 4.6-7.0 HG2 LYS 95 - HA GLU 91 lone 4 92 35 14 4.5-7.4 11309/3.0=7, 2989/4.9=6 QB ALA 15 - HA GLU 91 far 4 78 5 - 4.9-36.4 QB ALA 92 - HA GLN 127 far 0 53 0 - 6.9-7.4 HB2 LEU 96 - HA GLN 127 far 0 60 0 - 7.9-8.5 HG2 LYS 86 - HA GLU 91 far 0 97 0 - 9.1-10.7 HB2 LEU 96 - HA GLU 91 far 0 76 0 - 9.7-10.3 HG LEU 96 - HA GLU 91 far 0 99 0 - 9.7-10.6 QB ALA 16 - HA GLU 91 far 0 96 0 - 9.8-39.0 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 6 assignments used, quality = 0.89: QB ALA 92 + HB2 GLU 91 OK 89 89 100 100 3.7-5.1 3.0/7252=87, 9914/3.0=75...(21) HG2 LYS 95 - HB2 GLU 91 far 0 73 0 - 6.1-9.1 HG3 LYS 95 - HB2 GLU 91 far 0 65 0 - 6.5-9.1 HG2 LYS 86 - HB2 GLU 91 far 0 100 0 - 8.4-10.2 QB ALA 109 - HB3 PRO 56 far 0 43 0 - 8.7-9.9 QB ALA 16 - HB2 GLU 91 far 0 81 0 - 9.9-39.7 Violated in 1 structures by 0.00 A. Peak 11389 from aliabs.peaks (3.22, 2.09, 35.29 ppm; 6.62 A increased from 5.88 A): 1 out of 6 assignments used, quality = 0.92: HB3 PHE 87 + HG3 GLU 91 OK 92 92 100 100 3.7-6.7 11354/1.8=94...(11) HB2 PHE 87 - HG3 GLU 91 far 10 99 10 - 5.3-8.3 HB3 HIS 10 - HG3 GLU 91 far 3 68 5 - 4.6-43.7 HB3 CYS 125 - HG3 GLU 91 far 0 85 0 - 7.8-10.7 HB3 HIS 8 - HG3 GLU 91 far 0 99 0 - 8.1-50.5 HD3 ARG 135 - HG3 GLU 91 far 0 92 0 - 8.8-12.1 Violated in 2 structures by 0.01 A. Peak 11390 from aliabs.peaks (3.23, 2.21, 35.29 ppm; 6.58 A): 2 out of 7 assignments used, quality = 1.00: HB2 PHE 87 + HG2 GLU 91 OK 100 100 100 100 5.9-7.1 2.5/9918=97...(10) HB3 PHE 87 + HG2 GLU 91 OK 98 98 100 100 4.6-5.8 11354=100, 2.5/9918=97...(11) HB3 HIS 10 - HG2 GLU 91 far 4 83 5 - 4.2-45.2 HA VAL 93 - HG2 GLU 91 far 0 57 0 - 7.2-8.7 HD3 ARG 135 - HG2 GLU 91 far 0 98 0 - 8.5-10.9 HB3 CYS 125 - HG2 GLU 91 far 0 71 0 - 8.6-11.6 HB3 HIS 8 - HG2 GLU 91 far 0 95 0 - 9.0-52.0 Violated in 0 structures by 0.00 A. Peak 11391 from aliabs.peaks (7.31, 1.99, 28.84 ppm; 6.35 A): 1 out of 3 assignments used, quality = 0.99: QD PHE 87 + HB2 GLU 91 OK 99 99 100 100 3.1-5.6 2.5/11353=92...(12) HE ARG 90 - HB2 GLU 91 far 9 60 15 - 5.8-8.7 H ASN 85 - HB2 GLU 91 far 0 68 0 - 9.7-10.4 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 ASP 131 - HA ALA 92 far 0 57 0 - 9.6-10.4 H LEU 123 - HA ALA 92 far 0 71 0 - 9.9-11.3 Violated in 20 structures by 2.68 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 ILE 129 + QB ALA 92 OK 99 99 100 100 3.1-3.9 10476=77, 2.9/9952=68...(18) H SER 94 + QB ALA 92 OK 80 100 80 100 4.6-4.9 7279/7267=63...(18) 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 5.0-5.3 3.1/2897=90...(15) Violated in 1 structures by 0.00 A. Peak 11395 from aliabs.peaks (2.74, 4.05, 54.95 ppm; 5.83 A increased from 5.49 A): 1 out of 4 assignments used, quality = 0.97: HB2 CYS 125 + HA ALA 92 OK 97 97 100 100 5.1-5.8 11396/2.1=92...(13) HB3 ASN 13 - HA ALA 92 far 0 63 0 - 7.0-43.4 HB2 CYS 73 - HA ALA 92 far 0 100 0 - 9.6-10.2 HB2 ASP 131 - HA ALA 92 far 0 65 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 11396 from aliabs.peaks (2.73, 1.43, 18.11 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: HB2 CYS 125 + QB ALA 92 OK 100 100 100 100 4.1-4.8 3.0/10376=69...(15) HB2 CYS 73 - QB ALA 92 far 0 99 0 - 7.2-8.0 Violated in 4 structures by 0.00 A. Peak 11397 from aliabs.peaks (1.15, 4.05, 54.95 ppm; 6.60 A increased from 6.21 A): 1 out of 2 assignments used, quality = 0.98: QG2 VAL 132 + HA ALA 92 OK 98 98 100 100 5.7-6.3 9947/2.1=98, 9933/2.9=94...(8) QG1 VAL 132 - HA ALA 92 far 0 81 0 - 7.2-7.8 Violated in 0 structures by 0.00 A. Peak 11398 from aliabs.peaks (2.09, 4.05, 54.95 ppm; 4.88 A): 2 out of 3 assignments used, quality = 0.95: HG3 GLU 91 + HA ALA 92 OK 90 100 90 100 3.2-6.5 9911/2.1=80, 7255/2.9=78...(25) HB2 GLU 128 + HA ALA 92 OK 49 98 50 100 5.0-6.1 10444/2.1=87, ~10447=56...(25) HB VAL 126 - HA ALA 92 far 0 85 0 - 8.9-10.1 Violated in 2 structures by 0.01 A. Peak 11399 from aliabs.peaks (2.33, 1.43, 18.11 ppm; 3.87 A): 1 out of 4 assignments used, quality = 0.97: HG2 GLU 128 + QB ALA 92 OK 97 97 100 100 1.8-3.1 10446=95, 1.8/10447=81...(17) HG2 GLN 127 - QB ALA 92 far 0 95 0 - 5.5-8.9 HB VAL 77 - QB ALA 92 far 0 97 0 - 7.6-8.1 HB3 GLN 134 - QB ALA 92 far 0 100 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 11400 from aliabs.peaks (2.22, 1.43, 18.11 ppm; 4.13 A increased from 3.88 A): 3 out of 6 assignments used, quality = 1.00: HB3 GLU 128 + QB ALA 92 OK 99 99 100 100 3.5-4.2 1.8/10444=77...(14) HG2 GLU 91 + QB ALA 92 OK 85 95 90 100 2.9-5.7 7254/7257=57...(21) HB3 LEU 96 + QB ALA 92 OK 59 85 75 93 4.3-4.9 10492/10491=39...(13) HB3 GLN 127 - QB ALA 92 far 0 100 0 - 6.6-8.1 HG2 GLU 97 - QB ALA 92 far 0 85 0 - 7.0-7.4 HB3 GLU 97 - QB ALA 92 far 0 100 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 11401 from aliabs.peaks (0.76, 4.05, 54.95 ppm; 6.21 A increased from 5.23 A): 3 out of 4 assignments used, quality = 1.00: QG1 VAL 93 + HA ALA 92 OK 100 100 100 100 6.0-6.1 2.1/9943=94, ~9970=93...(24) QD2 LEU 96 + HA ALA 92 OK 99 99 100 100 5.7-6.5 11806/4.9=78...(15) HG12 ILE 129 + HA ALA 92 OK 88 98 90 100 4.4-7.4 2.1/9942=96...(24) QD1 LEU 96 - HA ALA 92 far 0 87 0 - 7.2-7.9 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 4 assignments used, quality = 1.00: QD2 LEU 70 + HA VAL 93 OK 99 99 100 99 3.9-4.3 9485/3.2=62, 9495=49...(16) QG2 ILE 129 + HA VAL 93 OK 68 68 100 100 3.6-4.2 3.0/10461=70...(34) QD2 LEU 69 - HA VAL 93 far 0 90 0 - 7.3-7.8 QD1 LEU 98 - HA VAL 93 far 0 98 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 11403 from aliabs.peaks (0.85, 1.83, 31.24 ppm; 5.47 A): 2 out of 7 assignments used, quality = 0.99: QD2 LEU 70 + HB VAL 93 OK 97 97 100 100 5.0-5.6 9485/2.1=95, 9495/3.0=84...(10) QG2 ILE 129 + HB VAL 93 OK 76 76 100 100 3.9-4.2 ~9967=73, ~10487=72...(29) QG1 VAL 133 - HB3 ARG 135 poor 17 50 45 77 5.4-6.9 10556/7982=56, ~10575=22...(6) QG2 ILE 129 - HB3 ARG 135 far 0 34 0 - 8.5-9.6 QD2 LEU 69 - HB VAL 93 far 0 85 0 - 8.8-9.2 QD1 LEU 98 - HB VAL 93 far 0 96 0 - 8.8-10.2 QG1 VAL 133 - HB VAL 93 far 0 99 0 - 9.6-10.4 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 3.5-3.8 10487/2.1=99...(26) QD1 LEU 42 - HB VAL 93 far 0 96 0 - 6.4-6.9 QD1 LEU 42 - HB3 ARG 135 far 0 47 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 11405 from aliabs.peaks (0.84, 0.29, 23.10 ppm; 3.35 A): 2 out of 8 assignments used, quality = 0.97: QG2 ILE 129 + QG2 VAL 93 OK 88 89 100 100 1.7-1.9 3.0/9967=55...(38) QD2 LEU 70 + QG2 VAL 93 OK 71 90 80 98 3.6-4.1 9485=50, 11322/2.1=44...(24) QD1 LEU 70 - QG2 VAL 93 far 0 60 0 - 4.4-5.0 QD2 LEU 69 - QG2 VAL 93 far 0 71 0 - 5.8-6.2 QG1 VAL 133 - QG2 VAL 93 far 0 100 0 - 6.8-7.2 HG13 ILE 80 - QG2 VAL 93 far 0 60 0 - 6.9-7.4 QG2 ILE 80 - QG2 VAL 93 far 0 68 0 - 7.2-7.7 QD1 LEU 98 - QG2 VAL 93 far 0 87 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 11406 from aliabs.peaks (0.84, 0.75, 21.32 ppm; 2.93 A): 2 out of 8 assignments used, quality = 0.90: QD2 LEU 70 + QG1 VAL 93 OK 75 85 100 88 2.3-3.0 9485/2.1=29, 9495/3.2=20...(22) QD1 LEU 70 + QG1 VAL 93 OK 61 68 100 90 2.5-3.2 ~9485=23, ~9485=21...(24) QG2 ILE 129 - QG1 VAL 93 far 0 93 0 - 3.7-4.3 QD2 LEU 69 - QG1 VAL 93 far 0 63 0 - 6.4-6.8 QD1 LEU 98 - QG1 VAL 93 far 0 81 0 - 6.5-7.9 QG1 VAL 133 - QG1 VAL 93 far 0 100 0 - 8.5-9.0 QG2 ILE 80 - QG1 VAL 93 far 0 76 0 - 8.6-8.9 HG13 ILE 80 - QG1 VAL 93 far 0 68 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 11407 from aliabs.peaks (1.64, 0.29, 23.10 ppm; 4.66 A increased from 4.39 A): 1 out of 12 assignments used, quality = 0.92: HB2 LEU 69 + QG2 VAL 93 OK 92 93 100 99 4.1-4.7 3.2/9968=69...(10) QB ALA 88 - QG2 VAL 93 far 0 65 0 - 6.0-6.5 HD3 LYS 95 - QG2 VAL 93 far 0 76 0 - 6.1-8.3 HG LEU 70 - QG2 VAL 93 far 0 73 0 - 6.4-6.7 HD2 LYS 95 - QG2 VAL 93 far 0 87 0 - 6.4-8.5 HB2 LEU 122 - QG2 VAL 93 far 0 65 0 - 7.5-8.6 HD3 LYS 19 - QG2 VAL 93 far 0 96 0 - 8.2-34.0 HB2 LEU 98 - QG2 VAL 93 far 0 97 0 - 8.4-9.0 HG LEU 43 - QG2 VAL 93 far 0 99 0 - 8.5-9.5 HD2 LYS 86 - QG2 VAL 93 far 0 83 0 - 8.5-9.0 HD2 LYS 19 - QG2 VAL 93 far 0 93 0 - 9.1-34.2 HD3 LYS 86 - QG2 VAL 93 far 0 89 0 - 9.1-9.6 Violated in 2 structures by 0.00 A. Peak 11408 from aliabs.peaks (1.72, 0.29, 23.10 ppm; 4.03 A): 1 out of 9 assignments used, quality = 0.78: HG13 ILE 129 + QG2 VAL 93 OK 78 78 100 100 1.7-4.1 2.1/9967=89...(21) HG3 ARG 90 - QG2 VAL 93 far 14 92 15 - 3.9-6.3 HB2 LEU 70 - QG2 VAL 93 far 0 89 0 - 6.3-6.6 HB3 LEU 70 - QG2 VAL 93 far 0 99 0 - 6.5-6.8 HB ILE 80 - QG2 VAL 93 far 0 95 0 - 7.5-7.9 HG LEU 98 - QG2 VAL 93 far 0 95 0 - 8.4-9.4 HG2 ARG 135 - QG2 VAL 93 far 0 81 0 - 9.3-10.7 HB2 LYS 19 - QG2 VAL 93 far 0 81 0 - 9.4-33.6 HB2 LEU 43 - QG2 VAL 93 far 0 85 0 - 9.9-10.4 Violated in 1 structures by 0.00 A. Peak 11409 from aliabs.peaks (1.73, 0.75, 21.32 ppm; 5.09 A increased from 4.07 A): 4 out of 8 assignments used, quality = 1.00: HB3 LEU 70 + QG1 VAL 93 OK 97 97 100 100 5.1-5.7 ~9485=55, ~11419=54...(17) HB2 LEU 70 + QG1 VAL 93 OK 83 83 100 100 4.6-5.1 ~9485=55, ~11419=54...(18) HG13 ILE 129 + QG1 VAL 93 OK 72 85 85 100 4.3-6.2 11408/2.1=95, ~9967=80...(24) HG3 ARG 90 + QG1 VAL 93 OK 38 96 40 99 3.4-6.1 3.8/9962=75...(12) HG LEU 98 - QG1 VAL 93 far 0 90 0 - 6.3-7.7 HB2 LYS 19 - QG1 VAL 93 far 0 87 0 - 8.2-32.7 HB ILE 80 - QG1 VAL 93 far 0 97 0 - 8.7-9.2 HB2 LYS 24 - QG1 VAL 93 far 0 85 0 - 9.2-21.9 Violated in 0 structures by 0.00 A. Peak 11410 from aliabs.peaks (1.65, 0.75, 21.32 ppm; 5.10 A increased from 4.30 A): 1 out of 11 assignments used, quality = 0.97: HB2 LEU 69 + QG1 VAL 93 OK 97 100 100 98 4.5-5.1 11407/2.1=81, ~9968=52...(10) HD3 LYS 95 - QG1 VAL 93 far 9 95 10 - 5.4-8.0 HD2 LYS 95 - QG1 VAL 93 far 0 99 0 - 6.0-8.2 HB2 LEU 98 - QG1 VAL 93 far 0 100 0 - 6.5-7.4 HD3 LYS 19 - QG1 VAL 93 far 0 100 0 - 6.7-32.9 HD2 LYS 19 - QG1 VAL 93 far 0 100 0 - 7.6-33.2 QB ALA 88 - QG1 VAL 93 far 0 89 0 - 7.7-8.3 HD2 LYS 24 - QG1 VAL 93 far 0 92 0 - 7.8-24.4 HD3 LYS 24 - QG1 VAL 93 far 0 99 0 - 8.0-23.0 HD2 LYS 86 - QG1 VAL 93 far 0 97 0 - 8.7-9.7 HD3 LYS 86 - QG1 VAL 93 far 0 99 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 11411 from aliabs.peaks (1.94, 0.29, 23.10 ppm; 4.21 A): 0 out of 6 assignments used, quality = 0.00: HB3 ARG 90 - QG2 VAL 93 far 0 99 0 - 4.8-5.6 HB2 LYS 95 - QG2 VAL 93 far 0 99 0 - 6.1-6.5 HB3 LYS 95 - QG2 VAL 93 far 0 100 0 - 7.0-7.7 HB2 MET 11 - QG2 VAL 93 far 0 65 0 - 7.6-33.9 HB3 LYS 86 - QG2 VAL 93 far 0 96 0 - 8.4-9.0 HB ILE 37 - QG2 VAL 93 far 0 73 0 - 9.2-9.8 Violated in 20 structures by 0.66 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 94 95 100 100 3.5-4.1 3.2/9967=80...(24) HG2 ARG 90 + QG2 VAL 93 OK 64 99 65 99 3.9-5.3 3.8/9953=62...(17) HB2 GLU 91 - QG2 VAL 93 far 0 81 0 - 6.6-7.1 HB3 GLU 91 - QG2 VAL 93 far 0 89 0 - 7.1-7.6 QE MET 11 - QG2 VAL 93 far 0 96 0 - 7.3-29.8 HB3 MET 11 - QG2 VAL 93 far 0 100 0 - 8.7-33.6 HG3 ARG 135 - QG2 VAL 93 far 0 89 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 11413 from aliabs.peaks (2.36, 0.29, 23.10 ppm; 4.90 A): 1 out of 3 assignments used, quality = 0.75: HB VAL 77 + QG2 VAL 93 OK 75 76 100 99 4.0-4.4 2.1/9969=88...(15) HG2 GLU 128 - QG2 VAL 93 poor 19 78 30 82 5.2-6.1 10446/9970=54...(7) HG2 GLN 127 - QG2 VAL 93 far 0 83 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 11414 from aliabs.peaks (3.16, 0.75, 21.32 ppm; 4.58 A): 2 out of 7 assignments used, quality = 0.98: HD3 ARG 90 + QG1 VAL 93 OK 89 100 90 99 3.1-5.4 10697=49, 5.2/9962=46...(18) HD2 ARG 90 + QG1 VAL 93 OK 84 100 85 99 3.6-5.9 5.2/9962=46...(19) HB3 TYR 76 - QG1 VAL 93 far 0 63 0 - 6.2-7.9 HB3 HIS 7 - QG1 VAL 93 far 0 81 0 - 9.0-40.1 HB2 HIS 10 - QG1 VAL 93 far 0 97 0 - 9.4-32.5 HD3 ARG 23 - QG1 VAL 93 far 0 100 0 - 9.6-26.6 HD2 ARG 23 - QG1 VAL 93 far 0 100 0 - 9.8-26.4 Violated in 3 structures by 0.05 A. Peak 11415 from aliabs.peaks (3.16, 0.29, 23.10 ppm; 4.48 A): 2 out of 4 assignments used, quality = 0.93: HD2 ARG 90 + QG2 VAL 93 OK 84 100 85 99 3.1-6.1 5.2/9953=45...(21) HD3 ARG 90 + QG2 VAL 93 OK 59 100 60 99 3.5-6.3 5.2/9953=45...(21) HB3 TYR 76 - QG2 VAL 93 far 0 63 0 - 5.2-7.0 HB2 HIS 10 - QG2 VAL 93 far 0 97 0 - 9.2-34.6 Violated in 3 structures by 0.13 A. Peak 11416 from aliabs.peaks (3.46, 0.75, 21.32 ppm; 6.45 A increased from 5.44 A): 3 out of 4 assignments used, quality = 1.00: HA ILE 129 + QG1 VAL 93 OK 100 100 100 100 6.3-6.9 10458/11429=68...(14) HA VAL 77 + QG1 VAL 93 OK 84 99 85 100 6.4-7.1 ~9969=78, 9666/11429=74...(11) HA VAL 126 + QG1 VAL 93 OK 49 76 100 65 5.9-6.4 ~2908=25, 9957/2.1=21...(5) HA LEU 42 - QG1 VAL 93 far 0 97 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 11417 from aliabs.peaks (3.79, 3.25, 66.70 ppm; 5.26 A increased from 4.95 A): 1 out of 7 assignments used, quality = 0.97: HA ARG 90 + HA VAL 93 OK 97 97 100 100 4.7-5.1 2793/3.0=86...(11) HA GLU 97 - HA VAL 93 far 0 65 0 - 6.3-6.7 HB2 SER 99 - HA VAL 93 far 0 63 0 - 7.7-9.0 HB2 SER 9 - HA VAL 93 far 0 73 0 - 8.6-44.3 HA SER 130 - HA VAL 93 far 0 90 0 - 9.0-9.8 HB3 SER 9 - HA VAL 93 far 0 97 0 - 9.3-42.5 HB3 SER 130 - HA VAL 93 far 0 89 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 11418 from aliabs.peaks (4.05, 3.25, 66.70 ppm; 5.05 A): 2 out of 6 assignments used, quality = 1.00: HA LEU 96 + HA VAL 93 OK 99 99 100 100 4.9-5.2 2.9/7311=83...(27) HA ALA 92 + HA VAL 93 OK 99 99 100 100 4.8-4.9 4.9=100 HA LYS 95 - HA VAL 93 far 0 76 0 - 6.2-6.3 HA LEU 122 - HA VAL 93 far 0 99 0 - 6.6-7.1 HB2 SER 74 - HA VAL 93 far 0 99 0 - 7.5-9.5 HB3 SER 74 - HA VAL 93 far 0 96 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 11419 from aliabs.peaks (3.90, 0.29, 23.10 ppm; 4.38 A increased from 4.13 A): 1 out of 8 assignments used, quality = 0.72: HA LEU 70 + QG2 VAL 93 OK 72 73 100 98 4.2-4.4 4.0/9485=55, 9484=46...(16) HB2 SER 94 - QG2 VAL 93 far 0 99 0 - 5.6-5.9 HA LYS 86 - QG2 VAL 93 far 0 87 0 - 6.1-6.7 HA ALA 46 - QG2 VAL 93 far 0 95 0 - 6.7-7.2 HA3 GLY 75 - QG2 VAL 93 far 0 96 0 - 7.7-8.1 HA3 GLY 14 - QG2 VAL 93 far 0 93 0 - 9.2-33.9 HA2 GLY 14 - QG2 VAL 93 far 0 95 0 - 9.5-32.8 HB3 SER 50 - QG2 VAL 93 far 0 68 0 - 9.9-11.7 Violated in 3 structures by 0.00 A. Peak 11420 from aliabs.peaks (3.91, 0.75, 21.32 ppm; 4.04 A increased from 3.80 A): 1 out of 6 assignments used, quality = 0.89: HB2 SER 94 + QG1 VAL 93 OK 89 95 100 94 3.8-4.2 3.0/9963=61, 3.6/7283=59...(7) HA3 GLY 75 - QG1 VAL 93 far 0 85 0 - 7.3-7.8 HA LYS 86 - QG1 VAL 93 far 0 71 0 - 7.4-8.3 HA ALA 46 - QG1 VAL 93 far 0 83 0 - 8.1-8.6 HA3 GLY 14 - QG1 VAL 93 far 0 99 0 - 8.3-32.2 HA2 GLY 14 - QG1 VAL 93 far 0 99 0 - 8.7-31.2 Violated in 2 structures by 0.01 A. Peak 11421 from aliabs.peaks (4.06, 0.75, 21.32 ppm; 5.08 A increased from 4.07 A): 2 out of 6 assignments used, quality = 1.00: HB3 SER 74 + QG1 VAL 93 OK 98 100 100 98 4.0-5.5 3.0/9590=78, 3.9/9575=47...(9) HB2 SER 74 + QG1 VAL 93 OK 96 99 100 98 3.6-5.2 3.0/9590=78, 3.9/9575=47...(9) HA LEU 96 - QG1 VAL 93 far 5 97 5 - 5.7-5.9 HA PHE 89 - QG1 VAL 93 far 0 78 0 - 5.7-6.5 HA ALA 92 - QG1 VAL 93 far 0 98 0 - 6.0-6.1 HA LEU 122 - QG1 VAL 93 far 0 73 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 11422 from aliabs.peaks (4.36, 0.75, 21.32 ppm; 4.59 A): 1 out of 5 assignments used, quality = 0.89: HA CYS 73 + QG1 VAL 93 OK 89 89 100 100 3.9-4.6 9955/2.1=83, 3.0/9961=75...(23) HA LEU 69 - QG1 VAL 93 far 0 96 0 - 5.9-6.6 HA CYS 125 - QG1 VAL 93 far 0 100 0 - 7.1-7.7 HA ASP 78 - QG1 VAL 93 far 0 73 0 - 8.7-9.5 HA SER 9 - QG1 VAL 93 far 0 83 0 - 9.1-34.3 Violated in 2 structures by 0.00 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 4.9-5.1 9930=100, 7258/2.9=100...(19) H GLY 75 - HA VAL 93 far 0 63 0 - 9.1-9.6 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 1.9-3.2 2.2/9924=61...(22) Violated in 0 structures by 0.00 A. Peak 11425 from aliabs.peaks (8.27, 0.29, 23.10 ppm; 5.11 A increased from 4.54 A): 1 out of 7 assignments used, quality = 0.99: H LEU 96 + QG2 VAL 93 OK 99 99 100 100 4.7-4.9 11432/2.1=86...(28) H VAL 126 - QG2 VAL 93 far 0 97 0 - 6.1-6.6 H LEU 69 - QG2 VAL 93 far 0 60 0 - 6.9-7.4 H ASP 131 - QG2 VAL 93 far 0 100 0 - 7.1-7.6 H LEU 43 - QG2 VAL 93 far 0 87 0 - 8.4-8.8 H SER 99 - QG2 VAL 93 far 0 78 0 - 8.4-9.0 H LEU 123 - QG2 VAL 93 far 0 100 0 - 9.6-10.1 Violated in 0 structures by 0.00 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 4.5-4.6 9566=98, 2.9/9955=97...(19) Violated in 0 structures by 0.00 A. Peak 11427 from aliabs.peaks (7.83, 0.75, 21.32 ppm; 5.69 A increased from 5.06 A): 1 out of 3 assignments used, quality = 0.92: H ALA 92 + QG1 VAL 93 OK 92 92 100 100 5.4-5.6 9936/2.1=85, 9939/2.1=83...(17) H GLN 68 - QG1 VAL 93 far 0 60 0 - 8.5-9.1 H ALA 88 - QG1 VAL 93 far 0 76 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 11428 from aliabs.peaks (7.74, 0.75, 21.32 ppm; 5.73 A increased from 5.09 A): 1 out of 1 assignment used, quality = 0.97: H LEU 98 + QG1 VAL 93 OK 97 98 100 99 5.3-5.8 7361/11849=72...(12) Violated in 2 structures by 0.00 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 3.1-4.5 11424/2.1=91, ~9924=59...(15) Violated in 0 structures by 0.00 A. Peak 11430 from aliabs.peaks (7.32, 0.75, 21.32 ppm; 5.38 A increased from 5.06 A): 2 out of 3 assignments used, quality = 0.99: HZ PHE 89 + QG1 VAL 93 OK 97 97 100 100 4.8-5.9 2.2/11429=88, ~11424=76...(10) HE ARG 90 + QG1 VAL 93 OK 65 78 85 98 2.5-6.6 5.6/9962=57...(14) QD PHE 87 - QG1 VAL 93 far 0 100 0 - 9.0-9.6 Violated in 0 structures by 0.00 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 far 0 65 0 - 7.1-7.6 Violated in 20 structures by 1.45 A. Peak 11432 from aliabs.peaks (8.27, 0.75, 21.32 ppm; 4.65 A): 1 out of 5 assignments used, quality = 0.98: H LEU 96 + QG1 VAL 93 OK 98 98 100 100 4.1-4.2 7311/3.2=68...(24) H SER 99 - QG1 VAL 93 far 0 71 0 - 7.0-7.7 H VAL 126 - QG1 VAL 93 far 0 95 0 - 7.1-7.5 H ASP 131 - QG1 VAL 93 far 0 99 0 - 9.6-10.1 H LEU 123 - QG1 VAL 93 far 0 100 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 11433 from aliabs.peaks (8.56, 0.75, 21.32 ppm; 4.63 A): 0 out of 2 assignments used, quality = 0.00: H ARG 90 - QG1 VAL 93 far 0 97 0 - 5.6-5.8 H ALA 46 - QG1 VAL 93 far 0 73 0 - 9.2-9.7 Violated in 20 structures by 1.04 A. Peak 11434 from aliabs.peaks (0.75, 4.24, 61.49 ppm; 5.00 A): 2 out of 7 assignments used, quality = 1.00: QG1 VAL 93 + HA SER 94 OK 100 100 100 100 2.8-3.0 9963=100, 7283/2.9=91...(24) QD2 LEU 96 + HA SER 94 OK 69 100 70 99 4.3-5.8 3098/7334=60...(12) QD1 LEU 96 - HA SER 94 far 0 76 0 - 6.4-7.0 HG12 ILE 129 - HA SER 124 far 0 93 0 - 7.1-8.4 QD1 LEU 96 - HA SER 124 far 0 66 0 - 7.6-8.2 QD2 LEU 96 - HA SER 124 far 0 93 0 - 8.0-9.0 HG12 ILE 129 - HA SER 94 far 0 100 0 - 8.4-9.9 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 8 assignments used, quality = 1.00: QD2 LEU 70 + HA SER 94 OK 93 93 100 100 4.6-5.2 2.1/11088=74...(17) QD2 LEU 98 + HA SER 94 OK 92 97 100 95 3.6-5.2 11470/4.9=67...(6) QD2 LEU 123 + HA SER 124 OK 87 87 100 100 4.4-5.1 7766/2.9=80...(18) QD1 LEU 98 + HA SER 94 OK 39 96 50 82 5.1-7.0 11469/4.9=51, ~11438=46...(4) QG1 VAL 118 - HA SER 124 far 0 68 0 - 9.3-9.9 QD2 LEU 69 - HA SER 124 far 0 92 0 - 9.4-10.2 QG2 VAL 20 - HA SER 94 far 0 78 0 - 9.7-28.7 QG1 VAL 118 - HA SER 94 far 0 78 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 11436 from aliabs.peaks (1.39, 3.90, 63.10 ppm; 5.13 A increased from 4.83 A): 1 out of 15 assignments used, quality = 0.50: QB ALA 34 + HB2 SER 33 OK 50 50 100 100 4.8-5.6 10784/1.8=96...(7) HG2 LYS 95 - HB2 SER 94 poor 20 100 20 - 3.9-7.8 HG3 LYS 95 - HB2 SER 94 far 15 99 15 - 4.6-6.7 QB ALA 15 - HB2 SER 94 far 5 97 5 - 4.1-33.7 HG3 LYS 26 - HB2 SER 33 far 3 67 5 - 5.3-11.7 HG2 LYS 36 - HB2 SER 33 far 3 66 5 - 5.5-6.7 HG3 LYS 31 - HB2 SER 33 lone 2 71 65 5 4.8-8.1 10831/10858=3 QB ALA 16 - HB2 SER 94 far 0 100 0 - 7.1-36.5 QB ALA 29 - HB2 SER 33 far 0 64 0 - 7.1-8.5 HG LEU 96 - HB2 SER 94 far 0 100 0 - 7.4-8.2 HB2 LEU 96 - HB2 SER 94 far 0 96 0 - 8.3-9.0 QB ALA 15 - HB2 SER 33 far 0 67 0 - 8.8-24.1 HG2 LYS 19 - HB2 SER 94 far 0 78 0 - 8.9-38.8 QB ALA 28 - HB2 SER 33 far 0 70 0 - 9.2-11.0 HG2 LYS 86 - HB2 SER 94 far 0 81 0 - 9.7-11.5 Violated in 2 structures by 0.03 A. Peak 11437 from aliabs.peaks (0.79, 3.90, 63.10 ppm; 5.25 A): 2 out of 6 assignments used, quality = 0.66: QD1 ILE 37 + HB2 SER 33 OK 50 56 100 90 3.9-4.3 10863/1.8=78...(8) QD1 LEU 70 + HB2 SER 94 OK 33 71 60 78 5.4-6.7 11088/3.0=50, ~11104=25...(5) QD1 ILE 32 - HB2 SER 33 far 0 56 0 - 6.3-7.0 QD1 LEU 96 - HB2 SER 94 far 0 93 0 - 8.2-8.7 QD1 LEU 122 - HB2 SER 94 far 0 85 0 - 8.5-11.4 QD2 LEU 122 - HB2 SER 94 far 0 100 0 - 8.7-11.3 Violated in 0 structures by 0.00 A. Peak 11438 from aliabs.peaks (0.90, 3.90, 63.10 ppm; 5.59 A increased from 5.26 A): 1 out of 6 assignments used, quality = 0.61: QD2 LEU 98 + HB2 SER 94 OK 61 85 100 71 4.8-5.7 9979/4.4=42...(6) QG2 VAL 20 - HB2 SER 33 far 4 70 5 - 4.7-18.6 QG1 VAL 20 - HB2 SER 33 far 0 71 0 - 6.8-19.6 QD1 LEU 22 - HB2 SER 33 far 0 64 0 - 8.3-18.4 QG1 VAL 20 - HB2 SER 94 far 0 99 0 - 9.0-31.1 QG2 VAL 20 - HB2 SER 94 far 0 99 0 - 10.0-28.7 Violated in 1 structures by 0.01 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 3.9-4.3 7330/3.6=97, 7335/2.9=88...(11) H LEU 100 + HA LYS 95 OK 68 100 70 98 6.3-7.0 7388/4.9=68...(11) Violated in 0 structures by 0.00 A. Peak 11440 from aliabs.peaks (0.87, 4.02, 59.53 ppm; 3.77 A): 1 out of 4 assignments used, quality = 0.92: QD2 LEU 98 + HA LYS 95 OK 92 92 100 100 2.0-3.4 11372=90, 2.1/11468=66...(24) QD1 LEU 98 - HA LYS 95 far 10 99 10 - 4.3-4.8 QD2 LEU 70 - HA LYS 95 far 0 97 0 - 6.4-6.8 QG1 VAL 118 - HA LYS 95 far 0 68 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 11441 from aliabs.peaks (0.76, 4.02, 59.53 ppm; 4.84 A): 0 out of 5 assignments used, quality = 0.00: QD2 LEU 122 - HA LYS 95 poor 16 78 20 - 5.3-8.1 QD2 LEU 96 - HA LYS 95 far 0 92 0 - 5.9-6.7 QG1 VAL 93 - HA LYS 95 far 0 93 0 - 6.0-6.2 QD1 LEU 96 - HA LYS 95 far 0 98 0 - 6.6-7.0 HG12 ILE 129 - HA LYS 95 far 0 87 0 - 8.8-10.1 Violated in 11 structures by 0.08 A. Peak 11442 from aliabs.peaks (0.86, 1.94, 32.11 ppm; 5.55 A increased from 4.44 A): 3 out of 12 assignments used, quality = 0.99: QD2 LEU 98 + HB2 LYS 95 OK 87 87 100 100 4.3-5.8 11440/3.0=95, ~11468=67...(45) QD2 LEU 98 + HB3 LYS 95 OK 86 86 100 100 3.6-5.6 11440/3.0=95, ~11468=67...(37) QG2 VAL 57 + HB2 PRO 58 OK 38 83 45 100 5.9-6.3 9306/3.0=92, ~9309=73...(25) QD1 LEU 98 - HB3 LYS 95 poor 20 99 20 - 5.3-6.9 QG1 VAL 133 - HB3 PRO 81 far 0 31 0 - 6.2-7.1 QD1 LEU 98 - HB2 LYS 95 far 0 100 0 - 6.5-7.2 QD2 LEU 70 - HB2 LYS 95 far 0 99 0 - 6.9-7.2 QD2 LEU 70 - HB3 LYS 95 far 0 98 0 - 7.0-7.8 QG1 VAL 118 - HB3 LYS 95 far 0 59 0 - 7.2-8.2 QG1 VAL 118 - HB2 LYS 95 far 0 60 0 - 8.0-9.2 QG2 VAL 20 - HB3 PRO 81 far 0 25 0 - 8.2-28.1 QG1 VAL 118 - HB2 PRO 58 far 0 45 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 11443 from aliabs.peaks (0.77, 1.94, 32.11 ppm; 6.36 A increased from 5.09 A): 8 out of 20 assignments used, quality = 1.00: QD1 LEU 96 + HB2 LYS 95 OK 93 100 100 93 6.0-6.7 9987/11658=43...(13) QD1 LEU 96 + HB3 LYS 95 OK 84 100 90 93 6.2-7.1 3099/4.6=42...(17) QG1 VAL 93 + HB2 LYS 95 OK 75 81 100 93 5.8-6.3 9980/4.0=67...(7) QD2 LEU 96 + HB2 LYS 95 OK 71 78 100 90 5.5-6.1 5.1/7316=39...(15) QD2 LEU 96 + HB3 LYS 95 OK 62 77 90 90 6.0-7.2 5.1/7316=39...(16) QG1 VAL 93 + HB3 LYS 95 OK 49 80 70 89 6.7-7.2 9980/4.0=67...(6) QD2 LEU 122 + HB3 LYS 95 OK 48 91 90 59 4.7-7.9 10387/11658=17...(8) QD2 LEU 122 + HB2 LYS 95 OK 44 92 80 60 5.2-8.8 10387/11658=19...(9) QD2 LEU 119 - HB2 PRO 58 poor 19 69 95 29 6.0-7.0 10993/9333=16...(3) QD1 LEU 103 - HB2 PRO 58 poor 16 81 20 - 6.6-8.1 HG12 ILE 129 - HB2 LYS 95 poor 12 71 35 49 6.3-8.4 11821/9948=36...(4) HG12 ILE 129 - HB3 LYS 95 far 0 70 0 - 7.4-9.4 QG1 VAL 63 - HB2 PRO 58 far 0 80 0 - 8.0-8.3 QD2 LEU 49 - HB2 LYS 95 far 0 68 0 - 8.4-9.6 QD2 LEU 49 - HB3 LYS 95 far 0 67 0 - 8.6-9.8 QD1 LEU 53 - HB3 LYS 95 far 0 77 0 - 8.8-11.3 QD1 LEU 53 - HB2 PRO 58 far 0 61 0 - 9.0-11.5 QD1 LEU 53 - HB2 LYS 95 far 0 78 0 - 9.0-12.0 QD2 LEU 43 - HB3 PRO 81 far 0 28 0 - 9.6-10.4 QD2 LEU 122 - HB2 PRO 58 far 0 74 0 - 9.9-13.0 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 8 assignments used, quality = 0.00: QD2 LEU 122 - HG2 LYS 95 far 0 73 0 - 6.3-9.5 QD2 LEU 122 - HG3 LYS 95 far 0 72 0 - 6.5-9.5 QD1 LEU 122 - HG2 LYS 95 far 0 100 0 - 6.6-9.8 QD1 LEU 122 - HG3 LYS 95 far 0 99 0 - 6.7-10.1 QG2 ILE 129 - HG3 LYS 95 far 0 92 0 - 6.9-10.1 QD1 LEU 70 - HG3 LYS 95 far 0 100 0 - 7.4-9.3 QG2 ILE 129 - HG2 LYS 95 far 0 93 0 - 7.4-9.9 QD1 LEU 70 - HG2 LYS 95 far 0 100 0 - 7.6-9.7 Violated in 20 structures by 1.68 A. Peak 11447 from aliabs.peaks (3.20, 1.94, 32.11 ppm; 4.90 A): 2 out of 9 assignments used, quality = 1.00: HB3 CYS 125 + HB2 LYS 95 OK 99 100 100 99 3.6-5.5 11658=52, 11658/1.8=40...(18) HB3 CYS 125 + HB3 LYS 95 OK 93 99 95 99 4.4-6.0 11658=47, 11597/1.8=46...(20) HB3 HIS 8 - HB3 LYS 95 far 0 98 0 - 7.4-46.5 HD2 ARG 84 - HB3 PRO 81 far 0 42 0 - 7.5-12.1 HB2 HIS 5 - HB3 LYS 95 far 0 62 0 - 8.3-57.3 HD3 ARG 84 - HB3 PRO 81 far 0 42 0 - 8.6-12.2 HB3 HIS 8 - HB2 LYS 95 far 0 99 0 - 8.6-46.0 HD3 ARG 135 - HB3 PRO 81 far 0 24 0 - 9.0-11.4 HB2 HIS 5 - HB2 LYS 95 far 0 63 0 - 9.5-57.1 Violated in 0 structures by 0.00 A. Peak 11448 from aliabs.peaks (3.19, 1.39, 25.38 ppm; 6.51 A increased from 5.79 A): 2 out of 10 assignments used, quality = 0.97: HB3 CYS 125 + HG2 LYS 95 OK 92 96 100 96 5.8-6.6 11597/3.0=50...(9) HB3 CYS 125 + HG3 LYS 95 OK 65 97 70 96 5.9-7.2 11597/3.0=50...(8) HB2 HIS 10 - HG3 LYS 95 far 4 85 5 - 7.1-41.7 HB2 HIS 10 - HG2 LYS 95 far 4 84 5 - 6.9-42.9 HB3 HIS 8 - HG3 LYS 95 far 4 76 5 - 5.7-46.4 HB3 HIS 8 - HG2 LYS 95 far 0 75 0 - 7.1-47.6 HD3 ARG 90 - HG2 LYS 95 far 0 64 0 - 8.3-13.3 HD2 ARG 90 - HG3 LYS 95 far 0 73 0 - 8.6-13.0 HD3 ARG 90 - HG3 LYS 95 far 0 65 0 - 9.7-12.4 HD2 ARG 90 - HG2 LYS 95 far 0 72 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 11449 from aliabs.peaks (3.18, 1.66, 28.97 ppm; 4.52 A): 0 out of 52 assignments used, quality = 0.00: HB2 HIS 10 - HD3 LYS 95 far 5 99 5 - 5.0-42.3 HD2 ARG 23 - HD3 LYS 31 far 4 89 5 - 4.9-20.0 HD3 ARG 90 - HD2 LYS 19 far 3 56 5 - 4.8-38.3 HD3 ARG 90 - HD3 LYS 19 far 3 52 5 - 4.0-38.1 HB2 HIS 8 - HD3 LYS 19 far 2 33 5 - 4.9-35.8 HB3 CYS 125 - HD2 LYS 95 far 0 73 0 - 5.2-8.5 HD2 ARG 23 - HD3 LYS 24 far 0 70 0 - 5.3-10.8 HB2 HIS 8 - HD2 LYS 19 far 0 36 0 - 5.3-35.4 HD2 ARG 23 - HD2 LYS 24 far 0 74 0 - 5.4-11.3 HD2 ARG 90 - HD3 LYS 19 far 0 55 0 - 5.5-37.2 HB2 HIS 8 - HD3 LYS 95 far 0 65 0 - 5.5-48.3 HD3 ARG 23 - HD2 LYS 24 far 0 69 0 - 5.7-11.5 HD3 ARG 23 - HD3 LYS 24 far 0 65 0 - 5.7-11.4 HB3 CYS 125 - HD3 LYS 95 far 0 76 0 - 5.8-8.2 HD2 ARG 23 - HD2 LYS 31 far 0 87 0 - 5.8-21.4 HD3 ARG 23 - HD3 LYS 26 far 0 82 0 - 5.9-16.2 HB2 HIS 10 - HD2 LYS 95 far 0 97 0 - 6.0-43.6 HB2 HIS 6 - HD3 LYS 95 far 0 81 0 - 6.0-53.4 HD2 ARG 90 - HD2 LYS 19 far 0 59 0 - 6.2-37.4 HD3 ARG 23 - HD2 LYS 26 far 0 84 0 - 6.2-15.5 HB2 HIS 8 - HD2 LYS 95 far 0 63 0 - 6.3-49.7 HD3 ARG 23 - HD3 LYS 31 far 0 83 0 - 6.4-21.1 HB2 HIS 10 - HD3 LYS 31 far 0 98 0 - 6.7-43.1 HD2 ARG 23 - HD3 LYS 26 far 0 88 0 - 6.8-15.7 HD3 ARG 23 - HD2 LYS 36 far 0 68 0 - 6.9-23.2 HB2 HIS 10 - HD3 LYS 19 far 0 60 0 - 7.0-28.2 HD3 ARG 23 - HD2 LYS 31 far 0 82 0 - 7.1-22.0 HB2 HIS 8 - HD2 LYS 31 far 0 62 0 - 7.5-45.8 HD2 ARG 23 - HD2 LYS 26 far 0 89 0 - 7.5-14.9 HD3 ARG 23 - HD3 LYS 36 far 0 69 0 - 7.5-25.0 HB2 HIS 6 - HD2 LYS 95 far 0 78 0 - 7.6-54.4 HB2 HIS 6 - HD2 LYS 19 far 0 47 0 - 7.6-41.2 HB2 HIS 10 - HD2 LYS 31 far 0 97 0 - 7.8-42.9 HB2 HIS 10 - HD2 LYS 19 far 0 64 0 - 7.8-27.8 HD2 ARG 23 - HD3 LYS 19 far 0 50 0 - 7.9-12.7 HB3 HIS 3 - HD2 LYS 19 far 0 53 0 - 7.9-48.5 HD2 ARG 23 - HD2 LYS 36 far 0 74 0 - 7.9-22.5 HD2 ARG 90 - HD3 LYS 95 far 0 96 0 - 8.2-13.0 HD3 ARG 23 - HD3 LYS 19 far 0 46 0 - 8.3-13.7 HD3 ARG 90 - HD3 LYS 24 far 0 72 0 - 8.4-26.0 HB2 HIS 6 - HD3 LYS 19 far 0 43 0 - 8.5-41.8 HD2 ARG 23 - HD2 LYS 19 far 0 54 0 - 8.5-12.8 HD3 ARG 90 - HD2 LYS 95 far 0 89 0 - 8.5-12.2 HD3 ARG 90 - HD3 LYS 95 far 0 92 0 - 8.5-12.9 HD2 ARG 23 - HD3 LYS 36 far 0 74 0 - 8.7-24.3 HD3 ARG 23 - HD2 LYS 19 far 0 50 0 - 8.7-13.4 HD3 ARG 90 - HD2 LYS 24 far 0 76 0 - 9.0-27.6 HB2 HIS 8 - HD3 LYS 31 far 0 64 0 - 9.0-46.2 HD2 ARG 90 - HD2 LYS 95 far 0 93 0 - 9.3-12.5 HB2 HIS 10 - HD3 LYS 24 far 0 81 0 - 9.6-35.3 HB3 HIS 3 - HD3 LYS 19 far 0 49 0 - 9.6-49.1 HD2 ARG 90 - HD3 LYS 24 far 0 76 0 - 9.7-25.3 Violated in 13 structures by 0.42 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 3.6-4.3 11691/2.1=95...(28) Violated in 0 structures by 0.00 A. Peak 11451 from aliabs.peaks (3.77, 0.77, 23.66 ppm; 4.06 A): 2 out of 5 assignments used, quality = 1.00: HA GLU 97 + QD1 LEU 96 OK 100 100 100 100 3.0-3.9 11809/2.1=57, ~3098=38...(36) HB2 SER 99 + QD1 LEU 96 OK 31 99 45 69 4.4-6.3 3208/4.0=25, 4.5/3106=19...(13) HB3 SER 130 - QD1 LEU 96 far 0 100 0 - 8.0-9.4 HA SER 130 - QD1 LEU 96 far 0 99 0 - 8.7-9.6 HA LEU 43 - QD1 LEU 96 far 0 97 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 11452 from aliabs.peaks (3.42, 0.77, 23.66 ppm; 4.68 A): 1 out of 3 assignments used, quality = 0.96: HA VAL 126 + QD1 LEU 96 OK 96 97 100 100 3.5-4.1 11807/2.1=75...(24) HB3 HIS 67 - QD1 LEU 96 far 0 89 0 - 6.3-7.0 HA ILE 129 - QD1 LEU 96 far 0 57 0 - 7.1-8.2 Violated in 0 structures by 0.00 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 3.8-4.3 3.0/11452=57, ~11807=37...(16) HB2 GLU 97 + QD1 LEU 96 OK 60 81 75 100 4.1-6.0 3.0/11451=52...(27) HG3 GLU 91 - QD1 LEU 96 far 0 81 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 11454 from aliabs.peaks (0.65, 2.24, 40.82 ppm; 5.30 A): 1 out of 3 assignments used, quality = 1.00: QD1 ILE 129 + HB3 LEU 96 OK 100 100 100 100 2.4-3.1 10492=100, 9982/3.8=72...(29) QD2 LEU 100 - HB3 LEU 96 far 0 60 0 - 6.7-7.4 QD1 LEU 42 - HB3 LEU 96 far 0 90 0 - 7.4-8.2 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 4 assignments used, quality = 1.00: H LEU 96 + HA GLU 97 OK 99 99 100 100 5.1-5.3 7330/2.8=97...(15) H SER 99 + HA GLU 97 OK 72 73 100 98 4.0-5.0 7375/3.6=55, 3.4/3114=43...(15) H VAL 126 - HA GLU 97 far 0 96 0 - 7.9-8.8 H LEU 123 - HA GLU 97 far 0 100 0 - 8.6-10.3 Violated in 0 structures by 0.00 A. Peak 11456 from aliabs.peaks (4.23, 2.40, 35.20 ppm; 4.68 A): 1 out of 4 assignments used, quality = 0.98: HA SER 94 + HG3 GLU 97 OK 98 98 100 100 2.1-2.7 11457/1.8=93...(12) HB3 SER 38 - HG3 GLU 40 poor 15 73 20 - 3.8-7.9 HA SER 99 - HG3 GLU 97 far 0 100 0 - 7.1-8.6 HA HIS 67 - HG3 GLU 97 far 0 78 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 11457 from aliabs.peaks (4.23, 2.24, 35.20 ppm; 3.86 A): 1 out of 3 assignments used, quality = 0.97: HA SER 94 + HG2 GLU 97 OK 97 100 100 98 2.3-3.7 11456/1.8=52...(15) HA HIS 67 - HG2 GLU 97 far 0 63 0 - 6.9-8.0 HA SER 99 - HG2 GLU 97 far 0 97 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 11458 from aliabs.peaks (4.26, 3.76, 59.92 ppm; 5.94 A increased from 4.75 A): 1 out of 3 assignments used, quality = 0.70: HA SER 94 + HA GLU 97 OK 70 71 100 99 5.8-5.9 7334/2.8=65, 3117/3.0=64...(10) HA SER 74 - HA GLU 97 far 0 71 0 - 9.8-10.8 HA ALA 15 - HA GLU 97 far 0 90 0 - 9.9-42.7 Violated in 0 structures by 0.00 A. Peak 11460 from aliabs.peaks (1.41, 2.22, 28.66 ppm; 4.84 A): 2 out of 16 assignments used, quality = 0.97: HG LEU 96 + HB3 GLU 97 OK 89 89 100 100 4.0-5.1 11363/1.8=75...(32) QB ALA 92 + HB3 GLU 128 OK 73 73 100 100 3.5-4.2 10444/1.8=82...(14) HG2 LYS 86 - HB2 GLN 82 far 0 48 0 - 6.6-9.1 QB ALA 16 - HB3 GLU 97 far 0 76 0 - 6.6-36.2 HG2 LYS 95 - HB3 GLU 128 far 0 51 0 - 8.0-10.0 HG3 LYS 95 - HB3 GLU 97 far 0 60 0 - 8.2-9.6 HG2 LYS 95 - HB3 GLU 97 far 0 68 0 - 8.4-10.2 QB ALA 16 - HB2 GLN 82 far 0 30 0 - 8.8-39.7 QB ALA 109 - HB3 GLU 102 far 0 56 0 - 9.0-10.9 QB ALA 92 - HB3 GLU 97 far 0 92 0 - 9.0-9.5 HG3 LYS 95 - HB3 GLU 128 far 0 45 0 - 9.0-11.1 HG3 LYS 19 - HB2 GLN 82 far 0 30 0 - 9.3-41.5 HG LEU 96 - HB3 GLU 102 far 0 78 0 - 9.4-12.3 HG3 LYS 95 - HB3 GLU 102 far 0 51 0 - 9.5-12.3 HG3 LYS 19 - HB3 GLU 97 far 0 76 0 - 9.7-39.8 QB ALA 16 - HB3 GLU 102 far 0 66 0 - 10.0-42.8 Violated in 0 structures by 0.00 A. Peak 11461 from aliabs.peaks (1.41, 2.13, 28.66 ppm; 5.26 A increased from 4.67 A): 1 out of 7 assignments used, quality = 0.97: HG LEU 96 + HB2 GLU 97 OK 97 97 100 100 3.4-5.1 11114/11109=81...(24) QB ALA 15 - HB2 GLU 97 far 3 65 5 - 4.6-32.9 HB2 LEU 96 - HB2 GLU 97 far 0 63 0 - 6.2-7.3 QB ALA 16 - HB2 GLU 97 far 0 89 0 - 6.7-36.1 HG3 LYS 95 - HB2 GLU 97 far 0 76 0 - 7.4-9.6 HG2 LYS 95 - HB2 GLU 97 far 0 83 0 - 7.8-10.0 QB ALA 92 - HB2 GLU 97 far 0 81 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 11462 from aliabs.peaks (1.81, 2.22, 28.66 ppm; 4.83 A): 2 out of 13 assignments used, quality = 0.99: HB2 LEU 100 + HB3 GLU 97 OK 98 98 100 100 4.0-4.6 3115/3.0=77...(24) HB2 ARG 84 + HB2 GLN 82 OK 47 47 100 99 2.9-4.4 7091/9778=68...(13) HB3 ARG 135 - HB2 GLN 82 poor 13 47 75 38 4.4-6.7 9799/9797=27...(3) HB3 LEU 103 - HB3 GLU 102 far 0 72 0 - 5.5-6.4 HB2 LYS 86 - HB2 GLN 82 far 0 35 0 - 5.7-8.1 HB2 LEU 100 - HB3 GLU 102 far 0 89 0 - 6.2-8.4 HB VAL 93 - HB3 GLU 97 far 0 92 0 - 7.3-8.1 HB3 LEU 122 - HB3 GLU 97 far 0 76 0 - 7.4-10.7 HB3 LYS 24 - HB3 GLU 97 far 0 100 0 - 8.6-32.3 HB3 LEU 122 - HB3 GLU 102 far 0 66 0 - 8.7-11.5 HB3 LEU 103 - HB3 GLU 97 far 0 83 0 - 9.0-9.8 HB VAL 93 - HB3 GLU 128 far 0 73 0 - 9.5-10.4 HB2 CYS 79 - HB2 GLN 82 far 0 37 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 11463 from aliabs.peaks (2.72, 2.22, 28.66 ppm; 4.82 A): 1 out of 5 assignments used, quality = 0.25: HB2 ASN 85 + HB2 GLN 82 OK 25 25 100 100 3.7-5.4 1.8/11464=75...(17) HB2 CYS 73 - HB3 GLU 97 far 0 78 0 - 6.3-8.1 HB2 CYS 125 - HB3 GLU 128 far 0 74 0 - 6.6-7.1 HB2 CYS 125 - HB3 GLU 97 far 0 93 0 - 8.4-9.8 HB2 ASN 85 - HB3 GLU 128 far 0 49 0 - 9.8-12.7 Violated in 3 structures by 0.04 A. Peak 11464 from aliabs.peaks (2.83, 2.22, 28.66 ppm; 5.00 A): 1 out of 6 assignments used, quality = 0.41: HB3 ASN 85 + HB2 GLN 82 OK 41 45 90 100 2.2-5.7 1.8/11463=84...(18) HB2 ASN 13 - HB2 GLN 82 far 2 44 5 - 3.8-46.3 HB2 ASN 121 - HB3 GLU 102 far 0 51 0 - 6.9-8.5 HB2 ASN 116 - HB3 GLU 102 far 0 68 0 - 7.8-10.5 HB3 ASP 71 - HB3 GLU 97 far 0 83 0 - 9.0-10.9 HB2 ASN 121 - HB3 GLU 97 far 0 60 0 - 9.4-11.9 Violated in 3 structures by 0.09 A. Peak 11465 from aliabs.peaks (1.21, 4.11, 57.89 ppm; 6.52 A): 3 out of 4 assignments used, quality = 0.97: QG2 THR 65 + HA LEU 48 OK 85 85 100 100 3.9-4.3 9204/3.7=90...(19) QG2 THR 65 + HA LEU 49 OK 75 75 100 100 2.3-3.1 10966/4.1=96...(17) QG2 THR 54 + HA LEU 49 OK 30 45 100 68 6.1-6.7 9250/6656=40...(5) QG2 THR 54 - HA LEU 48 poor 18 52 35 - 6.3-7.4 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 0 assignments used, quality = 0.00: Peak 11467 from aliabs.peaks (1.22, 1.71, 26.70 ppm; 5.21 A): 1 out of 2 assignments used, quality = 0.96: QG2 THR 65 + HG LEU 48 OK 96 96 100 100 3.7-4.2 9441=90, 10991/3.0=85...(17) QG2 THR 54 - HG LEU 48 far 0 74 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 11468 from aliabs.peaks (4.02, 1.71, 26.70 ppm; 3.87 A): 1 out of 8 assignments used, quality = 0.99: HA LYS 95 + HG LEU 98 OK 99 100 100 99 2.9-3.5 11470/2.1=80...(21) HA GLU 44 - HG LEU 48 far 0 74 0 - 4.7-5.9 HB3 SER 99 - HG LEU 98 far 0 78 0 - 4.7-8.1 HA LEU 122 - HG LEU 98 far 0 83 0 - 7.2-9.5 HA GLU 102 - HG LEU 98 far 0 60 0 - 8.2-9.9 HA GLN 68 - HG LEU 48 far 0 84 0 - 8.9-11.3 HA SER 50 - HG LEU 48 far 0 72 0 - 9.0-9.2 HA LEU 103 - HG LEU 98 far 0 100 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 11469 from aliabs.peaks (4.02, 0.86, 23.69 ppm; 4.92 A increased from 3.94 A): 1 out of 6 assignments used, quality = 0.99: HA LYS 95 + QD1 LEU 98 OK 99 99 100 100 4.3-4.8 11468/2.1=94...(21) HB3 SER 99 - QD1 LEU 98 far 8 85 10 - 4.6-7.4 HA LEU 103 - QD1 LEU 98 far 0 100 0 - 7.5-9.8 HA LEU 122 - QD1 LEU 98 far 0 76 0 - 7.6-9.4 HA LEU 119 - QD1 LEU 98 far 0 98 0 - 9.7-12.5 HB2 SER 124 - QD1 LEU 98 far 0 65 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 11470 from aliabs.peaks (4.02, 0.88, 24.09 ppm; 3.42 A increased from 3.22 A): 1 out of 8 assignments used, quality = 0.98: HA LYS 95 + QD2 LEU 98 OK 98 100 100 98 2.0-3.4 11440=66, 11468/2.1=55...(21) HA GLU 44 - QD2 LEU 48 far 0 57 0 - 4.6-7.0 HB3 SER 99 - QD2 LEU 98 far 0 71 0 - 5.8-7.2 HA LEU 122 - QD2 LEU 98 far 0 89 0 - 7.2-8.7 HA GLU 102 - QD2 LEU 98 far 0 68 0 - 7.6-8.7 HA SER 50 - QD2 LEU 48 far 0 44 0 - 7.7-7.9 HA GLN 68 - QD2 LEU 48 far 0 55 0 - 8.9-10.0 HA LEU 103 - QD2 LEU 98 far 0 99 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 11471 from aliabs.peaks (1.76, 3.76, 63.23 ppm; 4.82 A increased from 4.54 A): 3 out of 4 assignments used, quality = 0.97: HG LEU 100 + HB2 SER 99 OK 89 97 95 97 3.9-5.8 7399/4.5=62...(16) HB3 LEU 98 + HB2 SER 99 OK 59 81 80 91 4.8-6.2 ~11480=48, 7378/3.7=36...(9) HB3 LEU 122 + HB2 SER 99 OK 31 63 50 100 2.5-5.9 ~11702=46, 3.0/10022=45...(26) HG13 ILE 129 - HB2 SER 99 far 0 87 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 11472 from aliabs.peaks (1.77, 4.00, 63.23 ppm; 5.56 A increased from 4.68 A): 4 out of 4 assignments used, quality = 1.00: HG LEU 100 + HB3 SER 99 OK 99 100 100 99 4.2-6.0 7399/7395=83...(12) HB3 LEU 122 + HB3 SER 99 OK 86 90 95 100 3.5-6.2 3.1/11702=75...(21) HB3 LEU 98 + HB3 SER 99 OK 61 98 65 95 5.1-7.2 ~11480=62, 7378/3.7=53...(10) HB3 LEU 103 + HB3 SER 99 OK 50 85 80 74 4.8-6.5 11916/10270=34...(8) Violated in 0 structures by 0.00 A. Peak 11473 from aliabs.peaks (1.61, 4.00, 63.23 ppm; 4.83 A): 2 out of 4 assignments used, quality = 0.99: HG LEU 122 + HB3 SER 99 OK 99 99 100 100 2.5-4.7 2.1/11702=76...(24) HB2 LEU 122 + HB3 SER 99 OK 55 100 55 100 5.1-6.4 3.1/11702=66...(25) HG LEU 119 - HB3 SER 99 far 0 98 0 - 6.9-8.4 HG LEU 70 - HB3 SER 99 far 0 100 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 11474 from aliabs.peaks (2.22, 4.00, 63.23 ppm; 6.80 A increased from 6.50 A): 2 out of 6 assignments used, quality = 0.97: HB3 GLU 102 + HB3 SER 99 OK 96 96 100 100 4.8-6.8 3207/3.0=94, ~3206=85...(13) HB3 LEU 96 + HB3 SER 99 OK 40 68 60 98 7.2-8.0 3.0/3214=49, ~3208=47...(12) HB3 GLU 97 - HB3 SER 99 far 0 100 0 - 7.9-9.4 HB2 GLN 101 - HB3 SER 99 far 0 97 0 - 8.5-9.4 HG2 GLU 97 - HB3 SER 99 far 0 68 0 - 8.7-9.4 HB3 GLN 104 - HB3 SER 99 far 0 99 0 - 9.0-10.8 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 = 0.77: QG1 VAL 118 + HB3 SER 99 OK 77 81 100 95 1.8-3.4 11599/3.0=44...(18) QG2 VAL 63 - HB3 SER 99 far 0 100 0 - 6.3-8.1 QD1 LEU 62 - HB3 SER 99 far 0 100 0 - 6.5-8.3 QD1 LEU 119 - HB3 SER 99 far 0 73 0 - 7.2-8.4 QD1 LEU 49 - HB3 SER 99 far 0 100 0 - 8.3-9.9 QD1 LEU 123 - HB3 SER 99 far 0 97 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 11476 from aliabs.peaks (0.79, 4.00, 63.23 ppm; 3.62 A): 2 out of 9 assignments used, quality = 1.00: QD2 LEU 122 + HB3 SER 99 OK 99 99 100 99 1.8-3.9 2.1/11702=54, 11724=41...(25) QD1 LEU 122 + HB3 SER 99 OK 65 93 70 99 2.0-5.7 11702=71, 11479/1.8=32...(24) QD1 LEU 103 - HB3 SER 99 far 0 97 0 - 4.6-6.4 QD1 LEU 96 - HB3 SER 99 far 0 85 0 - 4.9-6.2 QD2 LEU 49 - HB3 SER 99 far 0 100 0 - 6.0-7.6 QD1 LEU 53 - HB3 SER 99 far 0 100 0 - 6.6-8.4 QG1 VAL 63 - HB3 SER 99 far 0 97 0 - 6.9-8.6 QD2 LEU 119 - HB3 SER 99 far 0 100 0 - 7.2-8.6 QD1 LEU 70 - HB3 SER 99 far 0 83 0 - 8.5-9.4 Violated in 1 structures by 0.01 A. Peak 11477 from aliabs.peaks (1.37, 3.76, 63.23 ppm; 5.96 A increased from 5.30 A): 3 out of 5 assignments used, quality = 0.99: HB2 LEU 96 + HB2 SER 99 OK 94 96 100 98 5.1-6.1 3.0/3208=50...(15) HB3 LEU 100 + HB2 SER 99 OK 79 100 80 100 5.8-7.4 7398/4.5=84, 1.8/3231=47...(16) HG LEU 96 + HB2 SER 99 OK 53 60 95 94 5.6-6.8 3.7/3208=47...(13) HG3 LYS 95 - HB2 SER 99 far 13 89 15 - 6.4-8.4 HG2 LYS 95 - HB2 SER 99 far 8 83 10 - 6.4-8.2 Violated in 0 structures by 0.00 A. Peak 11478 from aliabs.peaks (0.89, 3.76, 63.23 ppm; 4.44 A): 1 out of 7 assignments used, quality = 0.98: QG1 VAL 118 + HB2 SER 99 OK 98 100 100 98 2.2-3.7 11599/3.0=70, ~10271=43...(13) QD2 LEU 98 - HB2 SER 99 far 10 99 10 - 4.8-6.6 QG2 VAL 63 - HB2 SER 99 far 0 81 0 - 6.5-8.4 QD1 LEU 62 - HB2 SER 99 far 0 73 0 - 7.0-9.0 QD1 LEU 49 - HB2 SER 99 far 0 76 0 - 8.0-9.8 QD2 LEU 123 - HB2 SER 99 far 0 99 0 - 8.7-9.8 QD2 LEU 69 - HB2 SER 99 far 0 76 0 - 9.6-10.8 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 10 assignments used, quality = 0.98: QD2 LEU 122 + HB2 SER 99 OK 89 90 100 99 1.8-3.7 11476/1.8=42, ~11702=35...(36) QD1 LEU 122 + HB2 SER 99 OK 79 100 80 99 1.8-5.1 11702/1.8=58, 11091=37...(36) QD1 LEU 96 - HB2 SER 99 far 0 60 0 - 4.4-6.3 QD1 LEU 103 - HB2 SER 99 far 0 81 0 - 5.2-7.5 QD2 LEU 49 - HB2 SER 99 far 0 100 0 - 5.8-7.5 QD1 LEU 53 - HB2 SER 99 far 0 98 0 - 6.3-8.8 QG1 VAL 63 - HB2 SER 99 far 0 83 0 - 6.8-8.5 QD2 LEU 119 - HB2 SER 99 far 0 95 0 - 7.4-9.1 QD1 LEU 70 - HB2 SER 99 far 0 97 0 - 7.5-8.7 QG2 ILE 129 - HB2 SER 99 far 0 78 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 11480 from aliabs.peaks (1.64, 4.22, 62.42 ppm; 4.76 A): 1 out of 7 assignments used, quality = 0.93: HB2 LEU 98 + HA SER 99 OK 93 98 95 100 4.4-5.4 3166/2.9=72, ~7378=36...(27) HB2 LEU 122 - HA SER 99 far 0 63 0 - 6.5-8.2 HG LEU 119 - HA SER 99 far 0 92 0 - 8.0-9.2 HD2 LYS 95 - HA SER 99 far 0 89 0 - 8.9-10.8 HD3 LYS 95 - HA SER 99 far 0 78 0 - 9.2-10.3 HG LEU 70 - HA SER 99 far 0 71 0 - 9.4-10.0 HB2 LEU 123 - HA SER 99 far 0 96 0 - 9.6-11.1 Violated in 2 structures by 0.06 A. Peak 11481 from aliabs.peaks (0.78, 4.22, 62.42 ppm; 4.51 A): 1 out of 9 assignments used, quality = 1.00: QD2 LEU 122 + HA SER 99 OK 100 100 100 100 3.7-4.7 11378/3.0=46...(39) QD1 LEU 122 - HA SER 99 far 11 76 15 - 3.8-6.9 QD1 LEU 103 - HA SER 99 far 0 100 0 - 5.3-7.2 QD1 LEU 96 - HA SER 99 far 0 97 0 - 6.5-7.2 QG1 VAL 63 - HA SER 99 far 0 100 0 - 7.5-8.5 QD2 LEU 49 - HA SER 99 far 0 93 0 - 8.1-8.6 QD2 LEU 119 - HA SER 99 far 0 99 0 - 8.3-9.3 QD1 LEU 70 - HA SER 99 far 0 60 0 - 8.6-9.0 QD1 LEU 53 - HA SER 99 far 0 97 0 - 8.7-10.2 Violated in 2 structures by 0.01 A. Peak 11482 from aliabs.peaks (0.90, 4.22, 62.42 ppm; 4.36 A): 1 out of 4 assignments used, quality = 1.00: QG1 VAL 118 + HA SER 99 OK 100 100 100 100 2.3-3.3 11599=89, 11478/3.0=58...(16) QD2 LEU 98 - HA SER 99 far 9 90 10 - 4.6-5.8 QG2 VAL 63 - HA SER 99 far 0 96 0 - 7.1-8.3 QD1 LEU 62 - HA SER 99 far 0 92 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 11483 from aliabs.peaks (8.28, 0.68, 23.45 ppm; 5.38 A increased from 4.53 A): 4 out of 10 assignments used, quality = 0.96: H LEU 69 + QD2 LEU 100 OK 78 85 100 92 5.3-5.8 11034/11014=54...(8) H LEU 49 + QD2 LEU 62 OK 54 60 100 89 5.0-5.5 9247/9232=69...(5) H LEU 123 + QD2 LEU 62 OK 50 75 75 89 4.9-6.4 11818/10338=64...(7) H SER 99 + QD2 LEU 100 OK 29 96 30 100 5.9-6.4 3.4/3257=85...(19) H LEU 123 - QD2 LEU 100 far 0 96 0 - 6.3-7.8 H VAL 126 - QD2 LEU 100 far 0 100 0 - 6.9-8.2 H LEU 49 - QD2 LEU 100 far 0 81 0 - 7.3-8.0 H LEU 96 - QD2 LEU 100 far 0 100 0 - 7.4-8.0 H VAL 126 - QD2 LEU 62 far 0 83 0 - 7.6-8.4 H LEU 69 - QD2 LEU 62 far 0 64 0 - 8.3-8.8 Violated in 0 structures by 0.00 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 - 9.6-10.1 H ALA 46 - QD2 LEU 100 far 0 57 0 - 10.0-10.5 Violated in 20 structures by 4.25 A. Peak 11485 from aliabs.peaks (7.16, 0.68, 23.45 ppm; 4.21 A): 1 out of 3 assignments used, quality = 0.97: HD2 HIS 67 + QD2 LEU 100 OK 97 100 100 97 2.0-3.2 10044/2.1=71...(8) QD TYR 72 - QD2 LEU 100 far 0 71 0 - 8.6-9.3 HD2 HIS 67 - QD2 LEU 62 far 0 83 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 11488 from aliabs.peaks (4.07, 0.60, 25.59 ppm; 4.98 A increased from 4.42 A): 2 out of 8 assignments used, quality = 0.97: HA LEU 96 + QD1 LEU 100 OK 94 95 100 99 4.5-4.8 3.7/11918=62...(15) HA LEU 122 + QD1 LEU 100 OK 54 65 85 97 5.1-5.8 3.8/9487=82...(18) HB THR 65 - QD1 LEU 100 far 0 100 0 - 5.7-6.2 HA GLN 104 - QD1 LEU 100 far 0 78 0 - 7.6-8.2 HB2 SER 74 - QD1 LEU 100 far 0 97 0 - 7.6-9.2 HB3 SER 74 - QD1 LEU 100 far 0 99 0 - 7.9-9.6 HA GLU 102 - QD1 LEU 100 far 0 87 0 - 8.3-8.5 HA ALA 92 - QD1 LEU 100 far 0 96 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 11489 from aliabs.peaks (0.79, 3.96, 57.71 ppm; 3.63 A increased from 3.42 A): 3 out of 9 assignments used, quality = 1.00: QD2 LEU 122 + HA LEU 100 OK 92 99 100 93 2.0-3.8 10026/2.9=25...(24) QD1 LEU 122 + HA LEU 100 OK 81 95 95 90 2.3-5.0 9487/3266=29...(23) QG1 VAL 63 + HA LEU 100 OK 74 97 80 96 3.5-4.5 10974/3258=54...(19) QD1 LEU 103 - HA LEU 100 far 0 96 0 - 4.5-5.1 QD1 LEU 96 - HA LEU 100 far 0 83 0 - 4.6-5.5 QD2 LEU 49 - HA LEU 100 far 0 100 0 - 5.5-6.2 QD2 LEU 119 - HA LEU 100 far 0 100 0 - 6.4-8.0 QD1 LEU 53 - HA LEU 100 far 0 100 0 - 7.0-8.7 QD1 LEU 70 - HA LEU 100 far 0 85 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 11490 from aliabs.peaks (0.78, 1.77, 26.16 ppm; 3.87 A): 3 out of 9 assignments used, quality = 1.00: QD2 LEU 122 + HG LEU 100 OK 100 100 100 100 1.9-3.1 ~9487=50, ~9487=35...(34) QD1 LEU 96 + HG LEU 100 OK 93 97 100 96 2.3-3.3 ~11918=33, 11388/2.1=33...(22) QD1 LEU 122 + HG LEU 100 OK 77 78 100 98 1.7-3.5 9487/2.1=29, 2.1/3887=29...(33) QD2 LEU 49 - HG LEU 100 poor 20 95 95 22 4.0-4.5 11492/2.1=8, 11491/2.1=7...(4) QG1 VAL 63 - HG LEU 100 far 5 100 5 - 4.3-5.3 QD1 LEU 70 - HG LEU 100 far 0 63 0 - 5.7-6.7 QD1 LEU 103 - HG LEU 100 far 0 100 0 - 5.7-6.8 QD1 LEU 53 - HG LEU 100 far 0 98 0 - 6.2-7.6 QD2 LEU 119 - HG LEU 100 far 0 100 0 - 7.1-8.6 Violated in 0 structures by 0.00 A. Peak 11491 from aliabs.peaks (0.77, 0.68, 23.45 ppm; 2.93 A): 5 out of 18 assignments used, quality = 1.00: QG1 VAL 63 + QD2 LEU 100 OK 96 97 100 98 2.0-2.8 10974=56, 3.2/9397=34...(26) QD1 LEU 96 + QD2 LEU 100 OK 56 100 70 80 3.1-3.8 11388/2.1=22, ~11918=17...(17) QD1 LEU 53 + QD2 LEU 62 OK 44 60 85 86 1.7-3.6 2.1/10338=50...(13) QD2 LEU 122 + QD2 LEU 100 OK 43 93 50 92 2.2-4.3 ~9487=27, ~9487=19...(28) QD2 LEU 49 + QD2 LEU 100 OK 21 71 85 35 3.0-3.7 9460/9461=8, 9434/9435=6...(10) QD2 LEU 49 - QD2 LEU 62 far 0 52 0 - 3.6-3.9 QD2 LEU 119 - QD2 LEU 62 far 0 68 0 - 3.7-3.9 QD1 LEU 103 - QD2 LEU 100 far 0 98 0 - 4.6-5.2 QD2 LEU 122 - QD2 LEU 62 far 0 72 0 - 4.6-6.8 QD1 LEU 53 - QD2 LEU 100 far 0 81 0 - 4.9-6.8 QD1 LEU 103 - QD2 LEU 62 far 0 79 0 - 5.0-5.7 QD2 LEU 96 - QD2 LEU 100 far 0 76 0 - 5.1-5.8 QD2 LEU 119 - QD2 LEU 100 far 0 89 0 - 5.6-7.2 QD1 LEU 96 - QD2 LEU 62 far 0 83 0 - 6.1-6.8 QG1 VAL 63 - QD2 LEU 62 far 0 78 0 - 6.5-6.7 QG1 VAL 93 - QD2 LEU 100 far 0 78 0 - 7.1-7.6 QD2 LEU 96 - QD2 LEU 62 far 0 56 0 - 7.7-8.8 HG12 ILE 129 - QD2 LEU 100 far 0 68 0 - 8.7-11.2 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 9 assignments used, quality = 0.98: QD1 LEU 96 + QD1 LEU 100 OK 80 99 100 81 1.8-1.9 2.1/3268=23...(22) QD2 LEU 122 + QD1 LEU 100 OK 71 100 75 95 2.8-4.2 2.1/9487=54, 3903/2.1=19...(34) QD1 LEU 122 + QD1 LEU 100 OK 60 71 95 89 1.9-3.6 11387/2.1=19, 9487=18...(34) QD2 LEU 49 + QD1 LEU 100 OK 21 90 55 42 3.2-3.8 9460/11037=9...(10) QG1 VAL 63 - QD1 LEU 100 far 0 100 0 - 3.9-4.2 QD1 LEU 53 - QD1 LEU 100 far 0 96 0 - 6.0-7.3 QD1 LEU 103 - QD1 LEU 100 far 0 100 0 - 6.4-6.9 QD2 LEU 119 - QD1 LEU 100 far 0 99 0 - 7.4-8.6 QD1 ILE 37 - QD1 LEU 100 far 0 95 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 11493 from aliabs.peaks (1.65, 0.60, 25.59 ppm; 4.61 A increased from 4.09 A): 1 out of 7 assignments used, quality = 0.82: HB2 LEU 69 + QD1 LEU 100 OK 82 100 100 83 4.3-4.6 6941/11094=59...(8) HB2 LEU 98 - QD1 LEU 100 far 0 100 0 - 6.4-7.0 HB2 LEU 123 - QD1 LEU 100 far 0 100 0 - 8.4-9.8 HG LEU 119 - QD1 LEU 100 far 0 71 0 - 8.6-9.8 HG LEU 62 - QD1 LEU 100 far 0 100 0 - 8.6-9.6 HD3 LYS 95 - QD1 LEU 100 far 0 96 0 - 8.8-10.7 HD2 LYS 95 - QD1 LEU 100 far 0 99 0 - 9.0-10.7 Violated in 2 structures by 0.00 A. Peak 11494 from aliabs.peaks (2.07, 0.60, 25.62 ppm; 5.00 A): 0 out of 4 assignments used, quality = 0.00: HB2 LEU 62 - QD1 LEU 100 far 0 96 0 - 6.7-7.5 HB2 GLU 102 - QD1 LEU 100 far 0 94 0 - 7.6-8.9 HB VAL 118 - QD1 LEU 100 far 0 100 0 - 8.2-9.0 HB2 GLU 128 - QD1 LEU 100 far 0 95 0 - 9.9-10.7 Violated in 20 structures by 1.45 A. Peak 11495 from aliabs.peaks (3.77, 1.77, 26.16 ppm; 5.41 A): 2 out of 2 assignments used, quality = 1.00: HA GLU 97 + HG LEU 100 OK 99 99 100 100 3.5-4.2 10036/2.1=96...(21) HB2 SER 99 + HG LEU 100 OK 97 98 100 99 3.9-5.8 4.5/7399=77, 11471=46...(17) Violated in 0 structures by 0.00 A. Peak 11496 from aliabs.peaks (8.47, 2.55, 33.53 ppm; 5.49 A): 1 out of 2 assignments used, quality = 0.83: H LEU 100 + HG3 GLN 101 OK 83 83 100 100 4.0-4.8 3.1/3314=96, ~3305=67...(18) H GLU 97 - HG3 GLN 101 far 0 60 0 - 6.6-8.1 Violated in 0 structures by 0.00 A. Peak 11497 from aliabs.peaks (3.96, 2.55, 33.53 ppm; 5.78 A increased from 5.44 A): 1 out of 5 assignments used, quality = 0.99: HA LEU 100 + HG3 GLN 101 OK 99 99 100 100 5.3-5.8 3.6/3314=95...(11) HB2 SER 106 - HG3 GLN 101 far 0 98 0 - 7.8-9.9 HB3 SER 106 - HG3 GLN 101 far 0 78 0 - 8.5-9.9 HB3 SER 107 - HG3 GLN 101 far 0 100 0 - 9.1-11.8 HB3 SER 94 - HG3 GLN 101 far 0 92 0 - 9.8-11.7 Violated in 1 structures by 0.00 A. Peak 11498 from aliabs.peaks (3.98, 2.21, 27.78 ppm; 3.74 A): 2 out of 11 assignments used, quality = 0.64: HA GLN 127 + HB3 GLN 127 OK 54 54 100 100 2.5-2.9 3.0=100 HA SER 50 + HB3 GLN 127 OK 23 62 40 91 3.5-5.5 ~4037=16, 10349/11500=15...(24) HB3 SER 124 - HB3 GLN 127 far 0 37 0 - 5.5-6.3 HB2 SER 124 - HB3 GLN 127 far 0 67 0 - 5.5-6.7 HA LEU 100 - HB2 GLN 101 far 0 81 0 - 6.3-6.6 HB3 SER 51 - HB3 GLN 127 far 0 67 0 - 7.7-11.1 HA LEU 103 - HB2 GLN 101 far 0 60 0 - 8.0-8.6 HB3 SER 99 - HB2 GLN 101 far 0 96 0 - 8.5-9.4 HB2 SER 106 - HB2 GLN 101 far 0 85 0 - 8.9-10.7 HB3 SER 106 - HB2 GLN 101 far 0 99 0 - 9.4-10.8 HB3 SER 107 - HB2 GLN 101 far 0 68 0 - 9.4-12.0 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 6 assignments used, quality = 0.90: QG2 VAL 105 + HB2 GLN 101 OK 71 71 100 100 4.3-5.1 10054/2.9=68...(13) QG2 VAL 126 + HB3 GLN 127 OK 48 48 100 100 5.5-5.7 2.1/11620=85, ~10394=63...(11) QG1 VAL 126 + HB3 GLN 127 OK 36 37 100 96 4.0-4.7 4.3/7814=60, 11620=52...(8) QD2 LEU 53 - HB3 GLN 127 far 0 54 0 - 6.7-7.6 QG2 VAL 118 - HB2 GLN 101 far 0 83 0 - 7.1-8.5 QD1 LEU 69 - HB3 GLN 127 far 0 41 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 11500 from aliabs.peaks (0.87, 2.21, 27.78 ppm; 5.02 A increased from 4.23 A): 2 out of 8 assignments used, quality = 0.80: QD2 LEU 123 + HB3 GLN 127 OK 62 62 100 100 4.4-5.0 ~10436=69, 11581/3.0=64...(22) QD1 LEU 98 + HB2 GLN 101 OK 48 96 50 100 5.4-5.9 10059/7436=67...(13) QD2 LEU 98 - HB2 GLN 101 far 10 97 10 - 5.5-8.0 QG1 VAL 118 - HB2 GLN 101 far 0 78 0 - 6.8-7.8 QD2 LEU 69 - HB3 GLN 127 far 0 67 0 - 7.1-8.3 QD2 LEU 70 - HB2 GLN 101 far 0 93 0 - 7.3-8.7 QD2 LEU 48 - HB3 GLN 127 far 0 42 0 - 9.3-11.4 QD2 LEU 70 - HB3 GLN 127 far 0 58 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 11501 from aliabs.peaks (0.99, 2.30, 27.78 ppm; 5.79 A): 1 out of 3 assignments used, quality = 0.78: QG2 VAL 105 + HB3 GLN 101 OK 78 78 100 100 4.0-5.8 10054/2.9=84...(13) QG2 VAL 118 - HB3 GLN 101 far 0 89 0 - 7.3-8.3 QG2 VAL 126 - HB3 GLN 101 far 0 73 0 - 9.6-11.5 Violated in 1 structures by 0.00 A. Peak 11502 from aliabs.peaks (1.63, 2.43, 33.53 ppm; 4.52 A increased from 4.25 A): 4 out of 11 assignments used, quality = 0.98: HG3 ARG 84 + HG2 GLN 82 OK 80 92 95 91 3.0-5.6 3.0/11407=49...(14) HG2 ARG 84 + HG2 GLN 82 OK 69 95 80 91 2.7-6.7 3.0/11407=49...(14) HG2 ARG 84 + HG3 GLN 82 OK 50 90 60 92 3.5-7.4 ~11407=44, ~11315=35...(14) HG3 ARG 84 + HG3 GLN 82 OK 24 87 30 92 3.4-6.5 ~11407=44, ~11315=35...(14) HB2 LEU 98 - HG2 GLN 101 far 8 85 10 - 5.0-7.3 HG LEU 70 - HG2 GLN 101 far 0 92 0 - 5.8-10.4 HD3 LYS 86 - HG3 GLN 82 far 0 60 0 - 8.3-10.0 HG LEU 122 - HG2 GLN 101 far 0 78 0 - 8.4-11.2 HD2 LYS 86 - HG3 GLN 82 far 0 53 0 - 8.5-11.2 HD3 LYS 86 - HG2 GLN 82 far 0 66 0 - 8.6-10.2 HD2 LYS 86 - HG2 GLN 82 far 0 58 0 - 9.3-11.6 Violated in 1 structures by 0.02 A. Peak 11503 from aliabs.peaks (0.97, 2.43, 33.53 ppm; 4.63 A increased from 4.35 A): 1 out of 2 assignments used, quality = 0.78: QG1 VAL 105 + HG2 GLN 101 OK 78 93 85 98 4.1-5.8 ~10054=51, ~10054=50...(14) QG2 VAL 126 - HG2 GLN 101 far 0 100 0 - 9.4-11.9 Violated in 3 structures by 0.15 A. Peak 11504 from aliabs.peaks (0.78, 2.55, 33.53 ppm; 4.85 A): 0 out of 6 assignments used, quality = 0.00: QD2 LEU 122 - HG3 GLN 101 far 0 99 0 - 6.0-6.7 QD1 LEU 122 - HG3 GLN 101 far 0 68 0 - 6.0-9.0 QG1 VAL 63 - HG3 GLN 101 far 0 100 0 - 6.9-7.8 QD1 LEU 96 - HG3 GLN 101 far 0 99 0 - 7.2-8.4 QD1 LEU 103 - HG3 GLN 101 far 0 100 0 - 7.7-8.0 QD2 LEU 49 - HG3 GLN 101 far 0 89 0 - 9.6-10.4 Violated in 20 structures by 0.55 A. Peak 11505 from aliabs.peaks (4.21, 2.51, 34.64 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.97: HA SER 99 + HG3 GLU 102 OK 97 97 100 99 2.5-3.9 3207/3.0=67, 3206/3.0=66...(8) Violated in 0 structures by 0.00 A. Peak 11506 from aliabs.peaks (1.00, 2.51, 34.64 ppm; 3.93 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 118 + HG3 GLU 102 OK 100 100 100 100 1.9-4.5 10267=95, 10266/1.8=84...(13) QG2 VAL 105 + HG3 GLU 102 OK 96 98 100 98 3.8-4.4 10086/3.7=59...(8) Violated in 0 structures by 0.00 A. Peak 11507 from aliabs.peaks (1.00, 2.23, 28.62 ppm; 4.35 A): 2 out of 7 assignments used, quality = 1.00: QG2 VAL 118 + HB3 GLU 102 OK 100 100 100 100 2.5-3.9 11545=93, 10266/3.0=75...(16) QG2 VAL 105 + HB3 GLU 102 OK 98 98 100 100 3.3-4.1 10086/3.0=81...(17) QD1 LEU 69 - HB2 GLN 68 far 0 50 0 - 5.8-6.5 QD1 LEU 69 - HB3 GLU 97 far 0 89 0 - 8.2-9.3 QD1 LEU 69 - HB3 GLU 128 far 0 97 0 - 8.6-9.2 QG2 VAL 105 - HB3 GLU 97 far 0 89 0 - 9.0-10.2 QG2 VAL 118 - HB3 GLU 97 far 0 93 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 11508 from aliabs.peaks (0.99, 4.05, 58.39 ppm; 3.44 A): 1 out of 8 assignments used, quality = 0.91: QG2 VAL 105 + HA GLU 102 OK 91 92 100 100 1.7-1.9 10086=87, 10065/2.9=43...(12) QG2 VAL 118 - HA GLU 102 far 5 97 5 - 4.0-5.2 QD2 LEU 53 - HA LEU 122 far 0 54 0 - 5.0-6.7 QG2 VAL 118 - HA LEU 122 far 0 86 0 - 6.9-7.5 QD2 LEU 53 - HA LEU 96 far 0 46 0 - 7.1-8.9 QG2 VAL 118 - HA LEU 96 far 0 76 0 - 7.1-7.9 QD1 LEU 69 - HA LEU 122 far 0 79 0 - 7.5-8.3 QD1 LEU 69 - HA LEU 96 far 0 70 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 11509 from aliabs.peaks (3.36, 1.58, 42.10 ppm; 5.76 A increased from 5.42 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 63 + HB2 LEU 103 OK 100 100 100 100 5.3-5.8 11832/3.1=94...(34) HB2 HIS 67 - HB2 LEU 103 far 0 85 0 - 9.7-11.5 Violated in 1 structures by 0.00 A. Peak 11510 from aliabs.peaks (1.24, 0.88, 25.15 ppm; 3.57 A increased from 3.36 A): 1 out of 2 assignments used, quality = 0.90: QG2 THR 54 + QD2 LEU 123 OK 90 100 100 90 2.1-3.5 9275=46, 11640/2.1=42...(8) QG2 THR 65 - QD2 LEU 123 far 0 87 0 - 7.4-8.0 Violated in 0 structures by 0.00 A. Peak 11513 from aliabs.peaks (3.87, 1.56, 26.82 ppm; 4.80 A): 1 out of 11 assignments used, quality = 0.87: HA LEU 123 + HG LEU 123 OK 87 87 100 100 3.6-3.7 3.7=100 HB3 SER 50 - HG LEU 123 poor 17 87 20 - 4.6-7.1 HA ALA 46 - HG LEU 49 far 5 48 10 - 5.2-5.9 HB3 SER 33 - HG2 ARG 23 far 3 52 5 - 5.0-19.8 HA LEU 123 - HG LEU 49 far 0 73 0 - 5.7-6.6 HB3 SER 50 - HG LEU 49 far 0 73 0 - 6.7-8.0 HA2 GLY 114 - HG LEU 123 far 0 82 0 - 9.0-10.6 HA3 GLY 75 - HG2 ARG 23 far 0 54 0 - 9.1-21.8 HA LEU 70 - HG LEU 49 far 0 70 0 - 9.8-10.3 HA ALA 46 - HG LEU 123 far 0 59 0 - 9.9-10.8 HD2 PRO 117 - HG LEU 103 far 0 98 0 - 9.9-11.1 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 7 assignments used, quality = 0.93: HB2 LEU 48 + HA LEU 48 OK 74 74 100 100 2.5-2.7 3.0=100 HB3 LEU 103 + HA GLN 104 OK 51 63 85 95 4.2-4.5 7488/3.0=36, ~3378=24...(18) HB3 LEU 98 + HA LEU 98 OK 41 41 100 100 2.2-2.7 3.0=100 HG LEU 100 - HA LEU 98 far 0 51 0 - 6.7-7.2 HB3 LEU 122 - HA LEU 98 far 0 32 0 - 7.2-10.8 HB3 LEU 103 - HA LEU 98 far 0 27 0 - 7.9-8.8 HG LEU 100 - HA GLN 104 far 0 99 0 - 8.0-8.7 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 12 assignments used, quality = 0.99: QD2 LEU 48 + HA LEU 48 OK 83 83 100 99 1.9-2.6 3.8=75, 10961/1615=29...(22) QG2 VAL 63 + HA GLN 104 OK 82 83 100 99 2.0-2.8 2.1/11433=61...(21) QD1 LEU 48 + HA LEU 48 OK 65 66 100 99 3.8-3.8 4.0=63, 2.1/1521=43...(21) QD2 LEU 98 + HA LEU 98 OK 46 51 90 100 2.0-4.1 4.0=66, 2.1/3185=62...(20) QD1 LEU 49 - HA LEU 48 far 0 60 0 - 4.7-5.4 QD2 LEU 69 - HA LEU 48 far 0 55 0 - 5.7-6.1 QG1 VAL 118 - HA GLN 104 far 0 100 0 - 6.1-6.3 QG1 VAL 118 - HA LEU 98 far 0 54 0 - 6.2-7.0 QD1 LEU 62 - HA GLN 104 far 0 76 0 - 7.4-8.1 QD2 LEU 123 - HA LEU 48 far 0 81 0 - 8.2-9.0 QD1 LEU 62 - HA LEU 48 far 0 58 0 - 8.5-9.1 QG2 VAL 63 - HA LEU 98 far 0 38 0 - 9.0-9.8 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 2 assignments used, quality = 0.70: QG1 VAL 105 + HB2 GLN 104 OK 70 71 100 99 3.5-4.0 3.9/7523=68...(9) QG2 VAL 118 - HB2 GLN 104 far 0 71 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 11517 from aliabs.peaks (0.89, 2.19, 29.39 ppm; 5.07 A): 1 out of 3 assignments used, quality = 0.83: QG2 VAL 63 + HB2 GLN 104 OK 83 83 100 100 3.4-3.8 2.1/11435=77...(25) QG1 VAL 118 - HB2 GLN 104 far 0 100 0 - 7.3-7.7 QD1 LEU 62 - HB2 GLN 104 far 0 76 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 11518 from aliabs.peaks (0.77, 2.19, 29.39 ppm; 5.38 A): 1 out of 6 assignments used, quality = 0.99: QG1 VAL 63 + HB2 GLN 104 OK 99 99 100 100 3.0-3.3 11436/1.8=94...(28) QD1 LEU 103 - HB2 GLN 104 far 5 99 5 - 6.0-6.9 QD2 LEU 122 - HB2 GLN 104 far 0 96 0 - 7.6-9.6 QD2 LEU 119 - HB2 GLN 104 far 0 92 0 - 8.8-10.0 QD2 LEU 49 - HB2 GLN 104 far 0 76 0 - 9.6-10.2 QD1 LEU 96 - HB2 GLN 104 far 0 100 0 - 9.7-10.6 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 9 assignments used, quality = 1.00: QG1 VAL 63 + HB3 GLN 104 OK 100 100 100 100 1.7-1.9 11522/3.0=92...(30) QD1 LEU 103 + HB3 GLN 104 OK 94 100 95 100 5.2-6.0 2.1/11717=89, ~11828=51...(17) QD1 LEU 122 - HB3 GLN 104 far 0 83 0 - 6.1-8.6 QD2 LEU 122 - HB3 GLN 104 far 0 100 0 - 6.3-8.5 QD2 LEU 119 - HB3 GLN 104 far 0 100 0 - 7.7-8.9 QD2 LEU 49 - HB3 GLN 104 far 0 97 0 - 8.1-8.8 QD1 LEU 96 - HB3 GLN 104 far 0 95 0 - 8.3-9.3 QD1 LEU 70 - HB3 GLN 104 far 0 68 0 - 9.2-10.6 QD1 LEU 53 - HB3 GLN 104 far 0 99 0 - 9.9-11.6 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 4 assignments used, quality = 0.98: QG1 VAL 105 + HB3 GLN 104 OK 98 98 100 100 4.6-4.9 11434/1.8=82...(9) QD2 LEU 53 - HB3 GLN 104 far 0 100 0 - 8.8-11.1 QD1 LEU 119 - HB3 GLN 104 far 0 73 0 - 9.3-10.3 QG2 VAL 126 - HB3 GLN 104 far 0 100 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 11521 from aliabs.peaks (0.92, 2.38, 34.44 ppm; 3.80 A increased from 3.57 A): 1 out of 5 assignments used, quality = 1.00: QG2 VAL 63 + HG2 GLN 104 OK 100 100 100 100 2.8-4.0 10960=93, 2.1/11522=74...(25) QG1 VAL 118 - HG2 GLN 104 far 0 78 0 - 5.3-6.1 QD1 LEU 62 - HG2 GLN 104 far 0 100 0 - 8.3-9.4 QD1 LEU 119 - HG2 GLN 104 far 0 76 0 - 9.2-10.4 QD1 LEU 49 - HG2 GLN 104 far 0 100 0 - 9.5-11.5 Violated in 2 structures by 0.01 A. Peak 11522 from aliabs.peaks (0.78, 2.38, 34.44 ppm; 3.62 A): 1 out of 8 assignments used, quality = 1.00: QG1 VAL 63 + HG2 GLN 104 OK 100 100 100 100 1.8-3.8 9400=85, 2.1/11440=64...(21) QD1 LEU 103 - HG2 GLN 104 far 0 100 0 - 5.3-5.9 QD1 LEU 122 - HG2 GLN 104 far 0 68 0 - 5.4-8.0 QD2 LEU 122 - HG2 GLN 104 far 0 99 0 - 5.9-7.7 QD1 LEU 96 - HG2 GLN 104 far 0 99 0 - 7.7-8.9 QD2 LEU 49 - HG2 GLN 104 far 0 89 0 - 7.8-9.4 QD2 LEU 119 - HG2 GLN 104 far 0 98 0 - 7.9-9.5 QD1 LEU 53 - HG2 GLN 104 far 0 95 0 - 10.0-11.8 Violated in 4 structures by 0.02 A. Peak 11523 from aliabs.peaks (0.90, 2.47, 34.44 ppm; 3.53 A): 0 out of 7 assignments used, quality = 0.00: QG2 VAL 63 - HG3 GLN 104 far 5 97 5 - 3.8-4.7 QD1 LEU 48 - HG3 GLU 44 far 0 73 0 - 6.2-7.4 QD2 LEU 48 - HG3 GLU 44 far 0 78 0 - 6.3-8.5 QG1 VAL 118 - HG3 GLN 104 far 0 99 0 - 6.3-7.5 QD1 LEU 49 - HG3 GLU 44 far 0 69 0 - 8.6-9.3 QD2 LEU 98 - HG3 GLN 104 far 0 89 0 - 9.4-11.7 QD1 LEU 62 - HG3 GLN 104 far 0 93 0 - 9.5-10.5 Violated in 20 structures by 0.74 A. Peak 11524 from aliabs.peaks (0.76, 2.47, 34.44 ppm; 3.96 A): 1 out of 8 assignments used, quality = 0.81: QG1 VAL 63 + HG3 GLN 104 OK 81 81 100 100 2.2-3.9 11441/1.8=72, 9401=65...(20) QD2 LEU 103 - HG3 GLN 104 far 0 63 0 - 5.5-6.4 QD2 LEU 43 - HG3 GLU 44 far 0 63 0 - 5.6-6.9 QD1 LEU 103 - HG3 GLN 104 far 0 83 0 - 6.4-7.2 QD2 LEU 122 - HG3 GLN 104 far 0 71 0 - 7.2-9.0 QD1 ILE 37 - HG3 GLU 44 far 0 76 0 - 7.7-10.6 QD1 LEU 96 - HG3 GLN 104 far 0 96 0 - 8.5-9.8 QD2 LEU 119 - HG3 GLN 104 far 0 63 0 - 9.0-10.7 Violated in 0 structures by 0.00 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 4 assignments used, quality = 0.00: HB2 LEU 119 - HB3 PRO 113 far 0 91 0 - 6.9-9.6 HG LEU 103 - HB VAL 105 far 0 100 0 - 8.2-8.8 HB2 LEU 103 - HB VAL 105 far 0 76 0 - 8.4-8.8 HB3 LEU 42 - HB VAL 132 far 0 55 0 - 9.4-10.4 Violated in 20 structures by 2.15 A. Peak 11528 from aliabs.peaks (1.68, 2.27, 31.70 ppm; 4.63 A increased from 4.36 A): 2 out of 6 assignments used, quality = 0.65: QB ALA 88 + HB VAL 132 OK 48 49 100 99 3.9-4.5 10533/2.1=59...(12) HG2 ARG 135 + HB VAL 132 OK 33 36 90 100 4.4-6.0 10527/3.0=55, ~11783=51...(33) HD2 LYS 39 - HB VAL 132 far 0 59 0 - 9.7-10.9 HD2 LYS 86 - HB VAL 132 far 0 39 0 - 9.8-10.4 HD3 LYS 86 - HB VAL 132 far 0 35 0 - 9.9-10.4 HD2 LYS 95 - HB VAL 132 far 0 36 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 11529 from aliabs.peaks (2.39, 1.01, 20.08 ppm; 4.48 A increased from 4.22 A): 1 out of 1 assignment used, quality = 0.93: HG2 GLN 104 + QG2 VAL 105 OK 93 93 100 100 3.4-4.5 11439=89, 7495/10070=56...(13) Violated in 1 structures by 0.00 A. Peak 11530 from aliabs.peaks (4.46, 1.01, 20.08 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: HA SER 106 + QG2 VAL 105 OK 100 100 100 100 3.3-3.6 11466=100, 2.9/7539=68...(13) Violated in 0 structures by 0.00 A. Peak 11531 from aliabs.peaks (3.95, 1.01, 20.08 ppm; 4.05 A): 2 out of 5 assignments used, quality = 0.95: HB2 SER 106 + QG2 VAL 105 OK 89 90 100 98 3.4-4.0 3.0/11466=61...(16) HB3 SER 106 + QG2 VAL 105 OK 59 60 100 98 3.4-4.1 3.0/11466=61...(14) HB3 SER 107 - QG2 VAL 105 far 0 98 0 - 5.1-6.6 HA LEU 100 - QG2 VAL 105 far 0 93 0 - 5.7-6.1 HD3 PRO 117 - QG2 VAL 105 far 0 100 0 - 7.3-9.0 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 3 assignments used, quality = 0.96: QB ALA 108 + HA SER 106 OK 96 99 100 98 3.3-3.9 11883=78, 10101/3.6=52...(8) QB ALA 109 - HA SER 106 far 0 100 0 - 5.5-7.5 QB ALA 110 - HA SER 106 far 0 100 0 - 8.3-10.8 Violated in 0 structures by 0.00 A. Peak 11533 from aliabs.peaks (1.00, 4.46, 58.66 ppm; 4.05 A): 1 out of 2 assignments used, quality = 0.97: QG2 VAL 105 + HA SER 106 OK 97 97 100 100 3.3-3.6 11530=94, 7539/2.9=66...(14) QG2 VAL 118 - HA SER 106 far 0 99 0 - 5.8-6.8 Violated in 0 structures by 0.00 A. Peak 11534 from aliabs.peaks (0.94, 4.46, 58.66 ppm; 4.27 A): 0 out of 5 assignments used, quality = 0.00: QG1 VAL 105 - HA SER 106 far 0 97 0 - 5.4-5.5 QG2 VAL 112 - HA SER 106 far 0 83 0 - 8.1-10.0 QD1 LEU 119 - HA SER 106 far 0 100 0 - 8.3-9.6 QG1 VAL 112 - HA SER 106 far 0 78 0 - 9.7-11.6 QD1 LEU 62 - HA SER 106 far 0 57 0 - 9.9-11.3 Violated in 20 structures by 1.03 A. Peak 11535 from aliabs.peaks (0.77, 4.46, 58.66 ppm; 5.18 A): 0 out of 4 assignments used, quality = 0.00: QD1 LEU 103 - HA SER 106 far 10 97 10 - 5.8-6.6 QG1 VAL 63 - HA SER 106 far 0 96 0 - 8.4-9.4 QD2 LEU 119 - HA SER 106 far 0 85 0 - 8.5-10.1 QD2 LEU 122 - HA SER 106 far 0 90 0 - 9.2-11.4 Violated in 20 structures by 0.79 A. Peak 11536 from aliabs.peaks (1.59, 3.98, 63.90 ppm; 5.75 A): 1 out of 6 assignments used, quality = 0.47: HB2 LEU 103 + HB2 SER 106 OK 47 67 80 87 5.2-7.7 3.2/10096=53...(9) HB2 LEU 103 - HB3 SER 106 poor 17 87 20 - 5.5-7.6 HG LEU 119 - HB3 SER 106 far 0 68 0 - 6.8-9.9 HG LEU 119 - HB2 SER 106 far 0 50 0 - 7.1-8.6 HG LEU 122 - HB3 SER 106 far 0 98 0 - 9.1-12.6 HG LEU 122 - HB2 SER 106 far 0 80 0 - 9.2-12.9 Violated in 6 structures by 0.35 A. Peak 11537 from aliabs.peaks (1.13, 4.28, 52.75 ppm; 5.33 A increased from 4.49 A): 1 out of 7 assignments used, quality = 0.58: QG2 THR 115 + HA ALA 109 OK 58 58 100 100 3.6-5.6 10196/2.1=99, ~10191=79...(5) QG2 THR 115 - HA ALA 108 far 0 100 0 - 6.6-8.4 QG2 THR 115 - HA ALA 110 far 0 96 0 - 6.6-8.4 QG2 VAL 132 - HA ALA 12 far 0 80 0 - 7.3-35.9 QG1 VAL 132 - HA ALA 12 far 0 81 0 - 7.6-35.4 HB3 LEU 62 - HA ALA 110 far 0 92 0 - 7.7-12.1 HB3 LEU 62 - HA ALA 108 far 0 97 0 - 9.9-12.8 Violated in 3 structures by 0.03 A. Peak 11540 from aliabs.peaks (0.92, 1.38, 19.17 ppm; 3.70 A): 3 out of 28 assignments used, quality = 0.99: QG2 VAL 112 + QB ALA 109 OK 94 94 100 100 1.7-2.0 11496=99, 11553/10196=60...(19) QG2 VAL 112 + QB ALA 110 OK 63 100 75 85 3.5-4.4 11548/4.7=39...(9) QD1 LEU 119 + QB ALA 109 OK 35 81 55 79 3.6-4.7 10296/10191=32...(14) QG1 VAL 20 - QB ALA 15 far 4 88 5 - 3.6-8.4 QG1 VAL 20 - QB ALA 16 far 4 76 5 - 3.1-7.1 QG2 VAL 20 - QB ALA 15 far 0 55 0 - 4.5-10.1 QG2 VAL 20 - QB ALA 16 far 0 45 0 - 4.8-8.9 QG2 VAL 112 - QB ALA 108 far 0 100 0 - 5.4-6.2 QD1 LEU 62 - QB ALA 109 far 0 90 0 - 5.5-6.3 QG2 VAL 63 - QB ALA 109 far 0 87 0 - 5.9-6.8 QG2 VAL 63 - QB ALA 108 far 0 96 0 - 6.3-7.2 QG1 VAL 118 - QB ALA 109 far 0 52 0 - 6.4-7.5 QG2 VAL 20 - QB ALA 28 far 0 53 0 - 6.6-15.9 QG2 VAL 63 - QB ALA 110 far 0 95 0 - 7.0-8.7 QD1 LEU 119 - QB ALA 108 far 0 90 0 - 7.4-8.1 QD1 LEU 119 - QB ALA 110 far 0 89 0 - 7.4-8.9 QG2 ILE 37 - QB ALA 15 far 0 91 0 - 7.5-25.6 QG1 VAL 57 - QB ALA 109 far 0 74 0 - 7.5-8.8 QG1 VAL 118 - QB ALA 108 far 0 60 0 - 7.5-8.8 QD1 LEU 62 - QB ALA 110 far 0 97 0 - 7.5-9.4 QG1 VAL 57 - QB ALA 110 far 0 82 0 - 7.8-9.0 QD1 LEU 49 - QB ALA 15 far 0 93 0 - 8.3-31.2 QG1 VAL 20 - QB ALA 28 far 0 86 0 - 8.4-16.3 QG2 VAL 20 - QB ALA 29 far 0 53 0 - 8.6-16.6 QD1 LEU 62 - QB ALA 108 far 0 98 0 - 8.7-9.4 QG2 ILE 37 - QB ALA 29 far 0 88 0 - 9.0-11.0 QG1 VAL 20 - QB ALA 29 far 0 85 0 - 9.2-17.1 QG1 VAL 118 - QB ALA 110 far 0 59 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 11541 from aliabs.peaks (0.79, 1.38, 19.17 ppm; 4.86 A): 4 out of 32 assignments used, quality = 1.00: QD1 LEU 103 + QB ALA 109 OK 85 90 100 95 4.0-4.9 10219/10217=44...(15) QD2 LEU 119 + QB ALA 109 OK 84 94 100 89 3.6-4.6 10193/10191=44...(16) QD1 ILE 32 + QB ALA 29 OK 67 67 100 100 2.9-3.3 3.2/10790=82, ~10738=61...(25) QD1 ILE 32 + QB ALA 28 OK 56 68 100 83 3.8-4.9 10776/2.1=37, ~10772=34...(11) QD1 LEU 70 - QB ALA 15 far 4 75 5 - 2.0-26.0 QG2 ILE 80 - QB ALA 15 far 3 68 5 - 5.0-28.9 QD1 LEU 70 - QB ALA 16 far 3 63 5 - 4.6-28.7 QD1 LEU 103 - QB ALA 108 far 0 97 0 - 5.8-6.3 QD1 ILE 37 - QB ALA 15 far 0 70 0 - 5.9-23.6 QD2 LEU 119 - QB ALA 110 far 0 100 0 - 6.6-8.1 QD1 LEU 96 - QB ALA 15 far 0 81 0 - 6.7-30.2 QD1 LEU 103 - QB ALA 110 far 0 97 0 - 7.1-8.4 QD1 ILE 37 - QB ALA 29 far 0 67 0 - 7.2-9.2 QD2 LEU 119 - QB ALA 108 far 0 100 0 - 7.4-8.0 QG1 VAL 63 - QB ALA 108 far 0 98 0 - 7.6-8.5 QD2 LEU 122 - QB ALA 109 far 0 93 0 - 7.9-10.4 QG1 VAL 63 - QB ALA 109 far 0 90 0 - 7.9-8.8 QD1 LEU 122 - QB ALA 109 far 0 83 0 - 8.2-10.7 QG2 ILE 80 - QB ALA 16 far 0 57 0 - 8.3-30.3 QD1 LEU 122 - QB ALA 15 far 0 87 0 - 8.3-31.7 QD2 LEU 122 - QB ALA 15 far 0 96 0 - 8.4-31.9 QD1 LEU 53 - QB ALA 109 far 0 94 0 - 8.4-10.4 HG13 ILE 80 - QB ALA 15 far 0 75 0 - 8.5-33.7 QG1 VAL 63 - QB ALA 110 far 0 97 0 - 8.5-10.4 QD2 LEU 49 - QB ALA 15 far 0 96 0 - 8.5-31.8 QG1 VAL 63 - QB ALA 15 far 0 94 0 - 8.7-29.2 QD1 ILE 32 - QB ALA 15 far 0 70 0 - 8.7-20.8 QD1 ILE 37 - QB ALA 16 far 0 59 0 - 9.2-25.7 QD2 LEU 122 - QB ALA 108 far 0 100 0 - 9.3-11.7 QD1 LEU 96 - QB ALA 16 far 0 69 0 - 9.4-33.0 QD1 LEU 122 - QB ALA 108 far 0 92 0 - 9.4-11.8 QD2 LEU 49 - QB ALA 109 far 0 93 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 11543 from aliabs.peaks (4.28, 0.92, 20.13 ppm; 4.02 A): 2 out of 5 assignments used, quality = 1.00: HA ALA 109 + QG2 VAL 112 OK 100 100 100 100 2.6-3.4 2.1/11548=89, 11771=66...(13) HB THR 115 + QG2 VAL 112 OK 85 100 85 100 3.3-4.8 2.1/11553=89...(19) HA ALA 110 - QG2 VAL 112 poor 18 99 25 74 4.4-5.5 3.6/10121=33...(8) HA ALA 108 - QG2 VAL 112 far 0 100 0 - 6.3-7.2 HA GLN 61 - QG2 VAL 112 far 0 100 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 11544 from aliabs.peaks (4.27, 0.96, 20.76 ppm; 3.65 A): 1 out of 8 assignments used, quality = 1.00: HB THR 115 + QG1 VAL 112 OK 100 100 100 100 1.7-2.2 2.1/11552=81...(16) HA ALA 109 - QG1 VAL 112 far 0 99 0 - 4.8-5.8 HA ALA 108 - QG1 VAL 105 far 0 68 0 - 6.6-8.4 HA ALA 110 - QG1 VAL 112 far 0 92 0 - 7.0-8.0 HA ALA 15 - QG1 VAL 105 far 0 66 0 - 7.6-36.3 HA ALA 108 - QG1 VAL 112 far 0 99 0 - 8.3-9.7 HA ALA 12 - QG1 VAL 105 far 0 59 0 - 8.4-32.2 HA ALA 16 - QG1 VAL 105 far 0 69 0 - 9.7-37.9 Violated in 0 structures by 0.00 A. Peak 11545 from aliabs.peaks (1.92, 4.42, 59.83 ppm; 4.51 A increased from 3.80 A): 2 out of 3 assignments used, quality = 1.00: HG2 PRO 113 + HA VAL 112 OK 99 99 100 100 4.4-4.4 11568=99, 2.3/3569=98...(37) HB2 PRO 113 + HA VAL 112 OK 92 92 100 100 4.8-4.8 3.0/3569=90, 3.0/3567=89...(39) HB2 PRO 58 - HA VAL 112 far 0 73 0 - 7.8-9.2 Violated in 0 structures by 0.00 A. Peak 11546 from aliabs.peaks (1.94, 2.12, 32.13 ppm; 4.09 A): 1 out of 5 assignments used, quality = 0.71: HB3 PRO 81 + HB2 PRO 81 OK 71 71 100 100 1.8-1.8 1.8=100 HG2 PRO 113 - HB VAL 112 far 0 98 0 - 6.1-6.3 HB2 PRO 58 - HB VAL 112 far 0 99 0 - 7.3-9.5 HB3 LYS 86 - HB2 PRO 81 far 0 64 0 - 8.9-10.5 HB ILE 37 - HB2 PRO 81 far 0 41 0 - 10.0-11.4 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 = 0.97: HB2 PRO 113 + QG1 VAL 112 OK 90 100 90 100 4.6-4.7 3.0/10125=75...(40) HG2 PRO 113 + QG1 VAL 112 OK 71 71 100 100 3.7-3.8 2.3/10125=86...(37) HB2 MET 11 - QG1 VAL 105 far 0 65 0 - 9.3-30.9 Violated in 0 structures by 0.00 A. Peak 11548 from aliabs.peaks (1.39, 0.92, 20.13 ppm; 3.15 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 109 + QG2 VAL 112 OK 100 100 100 100 1.7-2.0 10732=94, 10135/2.1=44...(20) QB ALA 110 - QG2 VAL 112 far 15 99 15 - 3.5-4.4 QB ALA 108 - QG2 VAL 112 far 0 97 0 - 5.4-6.2 Violated in 0 structures by 0.00 A. Peak 11549 from aliabs.peaks (1.13, 2.12, 32.13 ppm; 3.68 A): 1 out of 5 assignments used, quality = 1.00: QG2 THR 115 + HB VAL 112 OK 100 100 100 100 1.8-2.9 11552/2.1=82, 10185=79...(21) HG2 LYS 39 - HB2 PRO 81 far 0 77 0 - 6.0-9.5 HG3 LYS 39 - HB2 PRO 81 far 0 39 0 - 7.3-9.0 QG1 VAL 132 - HB2 PRO 81 far 0 76 0 - 7.8-9.6 HB3 LEU 62 - HB VAL 112 far 0 97 0 - 8.9-11.5 Violated in 0 structures by 0.00 A. Peak 11550 from aliabs.peaks (1.13, 4.42, 59.83 ppm; 5.60 A): 1 out of 1 assignment used, quality = 1.00: QG2 THR 115 + HA VAL 112 OK 100 100 100 100 4.1-4.7 11552/3550=99...(20) 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 3 assignments used, quality = 0.96: QB ALA 109 + HA VAL 112 OK 89 89 100 100 4.1-4.9 10135/3550=99...(17) QB ALA 110 + HA VAL 112 OK 61 78 100 78 5.8-6.9 ~11478=51, 11540/3557=19...(8) QB ALA 108 - HA VAL 112 far 0 71 0 - 9.1-10.0 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 3 assignments used, quality = 0.99: QG2 THR 115 + QG1 VAL 112 OK 99 100 100 100 1.6-2.9 10194=67, 11553/2.1=59...(20) QG2 THR 115 - QG1 VAL 105 far 0 70 0 - 9.4-11.1 HB3 LEU 62 - QG1 VAL 112 far 0 97 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 11553 from aliabs.peaks (1.13, 0.92, 20.13 ppm; 3.17 A): 1 out of 2 assignments used, quality = 0.99: QG2 THR 115 + QG2 VAL 112 OK 99 100 100 99 2.4-3.3 11499/2.1=66...(18) HB3 LEU 62 - QG2 VAL 112 far 0 87 0 - 8.0-10.6 Violated in 3 structures by 0.02 A. Peak 11554 from aliabs.peaks (2.26, 4.42, 59.83 ppm; 5.74 A increased from 5.10 A): 1 out of 1 assignment used, quality = 0.98: HB3 PRO 113 + HA VAL 112 OK 98 98 100 100 5.5-5.5 3.0/3569=100...(40) 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 6 assignments used, quality = 1.00: QG1 VAL 112 + HD3 PRO 113 OK 100 100 100 100 2.9-3.0 10124=99, 10125/1.8=90...(33) QG1 VAL 112 - HD3 PRO 117 far 0 72 0 - 7.2-8.4 QG1 VAL 57 - HD3 PRO 113 far 0 63 0 - 7.9-9.4 QD2 LEU 53 - HD3 PRO 117 far 0 72 0 - 8.3-9.4 QD2 LEU 53 - HD3 PRO 113 far 0 100 0 - 9.0-11.0 QG1 VAL 105 - HD3 PRO 117 far 0 59 0 - 9.8-11.3 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 2 assignments used, quality = 0.99: QG1 VAL 112 + HD2 PRO 113 OK 99 99 100 100 1.6-1.7 10125=98, 10124/1.8=77...(31) QD2 LEU 53 - HD2 PRO 113 far 0 99 0 - 9.2-11.1 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 1 assignment used, quality = 1.00: QG2 THR 115 + HD2 PRO 113 OK 100 100 100 100 3.5-5.1 11499/10125=99...(18) Violated in 0 structures by 0.00 A. Peak 11559 from aliabs.peaks (1.38, 3.70, 50.81 ppm; 6.24 A increased from 5.87 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 109 + HD2 PRO 113 OK 100 100 100 100 5.1-6.0 11496/10131=99...(7) QB ALA 110 - HD2 PRO 113 far 0 100 0 - 7.5-8.6 QB ALA 108 - HD2 PRO 113 far 0 100 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 11560 from aliabs.peaks (1.13, 3.94, 50.81 ppm; 5.62 A): 2 out of 2 assignments used, quality = 1.00: QG2 THR 115 + HD3 PRO 113 OK 100 100 100 100 5.0-6.0 11499/10124=98...(17) QG2 THR 115 + HD3 PRO 117 OK 68 73 100 94 4.7-5.1 10179/3.8=71...(6) Violated in 0 structures by 0.00 A. Peak 11561 from aliabs.peaks (1.39, 3.94, 50.81 ppm; 6.65 A increased from 5.91 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 109 + HD3 PRO 113 OK 100 100 100 100 5.9-6.7 11548/4.4=98...(7) QB ALA 109 + HD3 PRO 117 OK 61 73 85 99 6.5-7.4 10229/4.8=77...(9) QB ALA 110 - HD3 PRO 113 far 0 99 0 - 7.5-8.7 QB ALA 108 - HD3 PRO 117 far 0 67 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 11562 from aliabs.peaks (2.04, 4.42, 59.83 ppm; 4.59 A increased from 4.32 A): 1 out of 4 assignments used, quality = 0.93: HG3 PRO 113 + HA VAL 112 OK 93 93 100 100 4.3-4.4 2.3/3569=98, 2.3/3567=98...(33) HG3 PRO 58 - HA VAL 112 far 0 83 0 - 8.6-10.0 HG2 PRO 58 - HA VAL 112 far 0 89 0 - 8.9-10.3 HB2 LEU 62 - HA VAL 112 far 0 93 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 11563 from aliabs.peaks (0.96, 4.36, 63.99 ppm; 4.41 A increased from 3.92 A): 1 out of 7 assignments used, quality = 1.00: QG1 VAL 112 + HA PRO 113 OK 100 100 100 100 4.1-4.3 10125/3.6=73...(14) QD1 LEU 119 - HA PRO 113 poor 17 68 25 - 3.1-5.2 QG2 ILE 37 - HA CYS 73 poor 11 25 45 - 4.6-5.7 QD2 LEU 53 - HA PRO 113 far 0 100 0 - 6.3-8.4 QG1 VAL 57 - HA PRO 113 far 0 78 0 - 6.3-8.5 QG2 VAL 126 - HA CYS 73 far 0 54 0 - 7.0-8.2 QG1 VAL 126 - HA CYS 73 far 0 52 0 - 7.3-8.1 Violated in 0 structures by 0.00 A. Peak 11564 from aliabs.peaks (0.90, 4.36, 63.99 ppm; 5.82 A): 1 out of 7 assignments used, quality = 0.85: QG2 VAL 112 + HA PRO 113 OK 85 85 100 100 5.8-5.8 10131/3.6=72, ~10140=72...(14) QD1 LEU 62 - HA PRO 113 lone 1 98 25 3 4.7-7.2 QD1 LEU 49 - HA CYS 73 far 0 52 0 - 8.0-8.7 QD2 LEU 123 - HA PRO 113 far 0 78 0 - 8.0-9.4 QG1 VAL 118 - HA PRO 113 far 0 97 0 - 8.9-11.1 QG2 VAL 63 - HA PRO 113 far 0 99 0 - 9.5-11.8 QG2 VAL 20 - HA CYS 73 far 0 49 0 - 9.9-25.5 Violated in 0 structures by 0.00 A. Peak 11565 from aliabs.peaks (1.53, 4.36, 63.99 ppm; 5.47 A increased from 4.86 A): 1 out of 5 assignments used, quality = 0.44: HB3 LEU 42 + HA CYS 73 OK 44 45 100 98 5.0-5.5 3.2/9570=48, ~9565=47...(10) HB2 LEU 119 - HA PRO 113 far 14 90 15 - 5.0-7.5 HG13 ILE 37 - HA CYS 73 far 0 32 0 - 6.3-8.2 HG LEU 69 - HA CYS 73 far 0 46 0 - 6.7-7.6 HB2 LEU 53 - HA PRO 113 far 0 99 0 - 7.3-10.3 Violated in 1 structures by 0.00 A. Peak 11566 from aliabs.peaks (4.44, 1.91, 31.65 ppm; 4.97 A increased from 4.42 A): 1 out of 4 assignments used, quality = 0.73: HA VAL 112 + HB2 PRO 113 OK 73 73 100 100 4.8-4.8 3566/3.0=69, 3568/3.0=68...(39) HA THR 54 - HB2 PRO 113 far 0 85 0 - 7.3-9.9 HA PRO 58 - HB2 PRO 113 far 0 97 0 - 8.1-9.9 HB THR 54 - HB2 PRO 113 far 0 81 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 11567 from aliabs.peaks (4.43, 2.27, 31.65 ppm; 4.48 A increased from 4.22 A): 1 out of 6 assignments used, quality = 0.55: HA SER 106 + HB VAL 105 OK 55 55 100 100 4.2-4.6 2.9/7537=78...(15) HA VAL 112 - HB3 PRO 113 far 0 97 0 - 5.5-5.5 HA THR 54 - HB3 PRO 113 far 0 100 0 - 7.6-10.3 HA PRO 58 - HB3 PRO 113 far 0 71 0 - 8.8-11.0 HA HIS 5 - HB VAL 105 far 0 79 0 - 9.0-51.1 HA ASN 120 - HB3 PRO 113 far 0 99 0 - 9.4-12.0 Violated in 3 structures by 0.01 A. Peak 11568 from aliabs.peaks (4.42, 1.93, 27.50 ppm; 4.44 A): 1 out of 3 assignments used, quality = 1.00: HA VAL 112 + HG2 PRO 113 OK 100 100 100 100 4.4-4.4 3569/2.3=97, 3567/2.3=96...(37) HA THR 115 - HG2 PRO 113 far 0 85 0 - 5.6-7.3 HA THR 54 - HG2 PRO 113 far 0 99 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 11569 from aliabs.peaks (4.43, 2.06, 27.50 ppm; 4.36 A): 2 out of 14 assignments used, quality = 0.97: HA VAL 112 + HG3 PRO 113 OK 95 95 100 100 4.3-4.4 3569/2.3=88, 3567/2.3=87...(33) HA PRO 58 + HG3 PRO 58 OK 52 52 100 100 4.0-4.0 3.8=100 HA HIS 5 - HB2 GLN 127 far 0 59 0 - 6.1-62.2 HA HIS 5 - HG3 PRO 117 far 0 64 0 - 6.9-60.1 HA HIS 5 - HG2 PRO 117 far 0 64 0 - 6.9-58.5 HA VAL 112 - HG3 PRO 58 far 0 67 0 - 8.6-10.0 HA ASN 120 - HG2 PRO 117 far 0 83 0 - 8.7-8.9 HA PRO 58 - HG3 PRO 113 far 0 78 0 - 8.7-10.6 HA SER 106 - HG2 PRO 117 far 0 56 0 - 9.0-10.3 HA ASN 120 - HB2 GLN 127 far 0 77 0 - 9.0-9.4 HA ASN 120 - HG3 PRO 117 far 0 83 0 - 9.6-9.8 HA SER 106 - HG3 PRO 117 far 0 56 0 - 9.7-11.1 HA THR 54 - HB2 GLN 127 far 0 78 0 - 9.8-11.7 HA THR 54 - HG3 PRO 113 far 0 99 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 11570 from aliabs.peaks (2.12, 3.70, 50.81 ppm; 3.90 A increased from 3.47 A): 1 out of 3 assignments used, quality = 1.00: HB VAL 112 + HD2 PRO 113 OK 100 100 100 100 3.6-3.8 10130=100, 2.1/10125=84...(39) HB2 PRO 56 - HD2 PRO 113 far 0 93 0 - 7.0-8.7 HB VAL 57 - HD2 PRO 113 far 0 60 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 11571 from aliabs.peaks (2.13, 3.94, 50.81 ppm; 4.80 A increased from 3.84 A): 1 out of 3 assignments used, quality = 0.92: HB VAL 112 + HD3 PRO 113 OK 92 92 100 100 4.7-4.8 2.1/10124=98, 4.8=98...(38) HB2 PRO 56 - HD3 PRO 113 far 5 100 5 - 5.3-7.1 HB VAL 112 - HD3 PRO 117 far 0 62 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 11572 from aliabs.peaks (4.37, 4.12, 45.18 ppm; 4.92 A): 1 out of 3 assignments used, quality = 1.00: HA PRO 113 + HA3 GLY 114 OK 100 100 100 100 4.3-4.4 10150=99, 7591/2.9=98...(8) HA PRO 117 - HA3 GLY 114 far 5 100 5 - 5.1-7.2 HA SER 107 - HA3 GLY 114 far 0 81 0 - 8.9-12.1 Violated in 0 structures by 0.00 A. Peak 11573 from aliabs.peaks (4.37, 3.88, 45.18 ppm; 4.60 A increased from 3.68 A): 2 out of 8 assignments used, quality = 0.99: HA PRO 113 + HA2 GLY 114 OK 97 97 100 100 4.4-4.8 7591/2.9=93...(8) HA THR 115 + HA2 GLY 114 OK 73 73 100 100 4.4-4.6 3.0/7603=84, 5.0=78...(13) HA PRO 117 - HA2 GLY 114 far 0 97 0 - 5.8-6.4 HA CYS 73 - HA3 GLY 75 far 0 73 0 - 5.8-6.2 HA SER 33 - HA3 GLY 75 far 0 59 0 - 6.8-8.0 HA ASP 78 - HA3 GLY 75 far 0 69 0 - 7.6-7.9 HA LEU 69 - HA3 GLY 75 far 0 40 0 - 8.6-9.1 HA SER 107 - HA2 GLY 114 far 0 93 0 - 9.1-11.1 Violated in 0 structures by 0.00 A. Peak 11574 from aliabs.peaks (4.11, 1.13, 21.32 ppm; 5.70 A increased from 4.56 A): 1 out of 2 assignments used, quality = 0.98: HA3 GLY 114 + QG2 THR 115 OK 98 98 100 100 4.5-5.5 3.6/7607=97, 10164=97...(10) HA GLN 104 - QG2 THR 115 far 0 68 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 11575 from aliabs.peaks (3.95, 1.13, 21.32 ppm; 3.95 A): 0 out of 8 assignments used, quality = 0.00: HD3 PRO 117 - QG2 THR 115 far 0 100 0 - 4.7-5.1 HD3 PRO 113 - QG2 THR 115 far 0 89 0 - 5.0-6.0 HA2 GLY 111 - QG2 THR 115 far 0 78 0 - 5.1-7.4 HB3 SER 106 - QG2 THR 115 far 0 68 0 - 5.5-8.6 HB3 SER 107 - QG2 THR 115 far 0 99 0 - 5.5-7.5 HA3 GLY 111 - QG2 THR 115 far 0 99 0 - 5.7-7.8 HB2 SER 106 - QG2 THR 115 far 0 95 0 - 5.7-8.2 HA LEU 100 - QG2 THR 115 far 0 97 0 - 9.8-11.3 Violated in 20 structures by 0.27 A. Peak 11576 from aliabs.peaks (1.37, 4.40, 61.45 ppm; 4.71 A): 0 out of 3 assignments used, quality = 0.00: QB ALA 109 - HA THR 115 far 0 92 0 - 5.6-7.2 QB ALA 108 - HA THR 115 far 0 99 0 - 9.1-11.5 QB ALA 110 - HA THR 115 far 0 97 0 - 9.6-12.1 Violated in 20 structures by 1.38 A. Peak 11577 from aliabs.peaks (0.97, 4.40, 61.45 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 112 + HA THR 115 OK 100 100 100 100 3.4-4.3 11499/3645=82...(23) QD2 LEU 53 - HA THR 115 far 0 100 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 11578 from aliabs.peaks (0.79, 4.40, 61.45 ppm; 6.60 A increased from 5.28 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 119 + HA THR 115 OK 100 100 100 100 6.1-6.9 10193/3636=86, ~10296=81...(17) QD1 LEU 103 - HA THR 115 far 0 95 0 - 7.6-8.8 Violated in 2 structures by 0.01 A. Peak 11579 from aliabs.peaks (1.87, 4.97, 51.55 ppm; 6.11 A increased from 5.75 A): 1 out of 1 assignment used, quality = 1.00: HB3 LEU 119 + HA ASN 116 OK 100 100 100 100 5.9-6.1 3.0/11583=91...(28) Violated in 1 structures by 0.00 A. Peak 11580 from aliabs.peaks (2.35, 4.97, 51.55 ppm; 5.59 A): 1 out of 2 assignments used, quality = 1.00: HB2 PRO 117 + HA ASN 116 OK 100 100 100 100 4.8-4.8 10248=100, 3.0/3667=98...(18) HG2 GLU 102 - HA ASN 116 far 0 63 0 - 8.2-10.7 Violated in 0 structures by 0.00 A. Peak 11581 from aliabs.peaks (1.59, 4.97, 51.55 ppm; 5.71 A increased from 5.38 A): 1 out of 3 assignments used, quality = 0.63: HG LEU 119 + HA ASN 116 OK 63 63 100 100 5.1-5.7 2.1/11583=94, ~10295=71...(34) HB2 LEU 103 - HA ASN 116 far 0 90 0 - 7.8-8.9 HG LEU 122 - HA ASN 116 far 0 97 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 11582 from aliabs.peaks (1.40, 4.97, 51.55 ppm; 6.15 A): 1 out of 2 assignments used, quality = 0.92: QB ALA 109 + HA ASN 116 OK 92 92 100 100 5.3-6.2 10229/2.9=84...(10) QB ALA 108 - HA ASN 116 far 0 76 0 - 8.0-9.4 Violated in 3 structures by 0.01 A. Peak 11583 from aliabs.peaks (0.94, 4.97, 51.55 ppm; 4.75 A): 1 out of 5 assignments used, quality = 1.00: QD1 LEU 119 + HA ASN 116 OK 100 100 100 100 3.3-3.5 10295/3.0=80...(34) QG1 VAL 112 - HA ASN 116 far 0 73 0 - 5.5-6.5 QG2 VAL 112 - HA ASN 116 far 0 87 0 - 6.6-7.2 QD1 LEU 62 - HA ASN 116 far 0 63 0 - 7.5-7.9 QD2 LEU 53 - HA ASN 116 far 0 71 0 - 7.8-9.1 Violated in 0 structures by 0.00 A. Peak 11584 from aliabs.peaks (1.61, 2.93, 38.65 ppm; 5.06 A): 1 out of 3 assignments used, quality = 0.98: HG LEU 119 + HB3 ASN 116 OK 98 98 100 100 2.3-4.5 2.1/10295=96...(28) HG LEU 122 - HB3 ASN 116 far 0 99 0 - 7.3-10.7 HB2 LEU 122 - HB3 ASN 116 far 0 100 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 11585 from aliabs.peaks (1.86, 2.93, 38.65 ppm; 5.69 A): 1 out of 2 assignments used, quality = 0.98: HB3 LEU 119 + HB3 ASN 116 OK 98 98 100 100 4.2-6.2 3.0/10295=95...(23) HB3 LEU 123 - HB3 ASN 116 far 0 90 0 - 9.7-11.7 Violated in 1 structures by 0.03 A. Peak 11586 from aliabs.peaks (2.06, 2.93, 38.65 ppm; 5.68 A): 3 out of 6 assignments used, quality = 1.00: HG2 PRO 117 + HB3 ASN 116 OK 99 99 100 100 4.1-5.1 2.3/10239=94...(28) HG3 PRO 117 + HB3 ASN 116 OK 99 99 100 100 4.9-6.0 2.3/10239=94...(25) HB VAL 118 + HB3 ASN 116 OK 99 99 100 100 2.8-4.0 10201/1.8=91...(18) HB2 GLU 102 - HB3 ASN 116 far 4 73 5 - 6.3-10.2 HB2 LEU 62 - HB3 ASN 116 far 0 100 0 - 7.5-8.9 HG3 PRO 113 - HB3 ASN 116 far 0 100 0 - 8.3-11.0 Violated in 0 structures by 0.00 A. Peak 11587 from aliabs.peaks (4.29, 4.97, 51.55 ppm; 5.73 A increased from 5.09 A): 1 out of 2 assignments used, quality = 0.92: HB THR 115 + HA ASN 116 OK 92 92 100 100 5.5-5.7 2.1/10179=91...(12) HA ALA 109 - HA ASN 116 far 0 97 0 - 7.6-9.5 Violated in 0 structures by 0.00 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 4.4-4.4 4.8=95, 3.6/3667=79...(11) HA PRO 113 - HA ASN 116 far 0 98 0 - 8.0-9.4 HA ASN 59 - HA ASN 116 far 0 78 0 - 8.3-9.5 Violated in 0 structures by 0.00 A. Peak 11589 from aliabs.peaks (2.80, 2.01, 31.74 ppm; 4.50 A): 3 out of 4 assignments used, quality = 0.98: HB3 ASN 120 + HB3 PRO 117 OK 94 100 95 99 4.8-5.2 11561/2.3=90...(6) HB2 ASN 121 + HB3 PRO 117 OK 49 100 55 90 4.4-6.6 11604/11590=49...(11) HB3 ASP 64 + HB VAL 63 OK 49 49 100 100 4.0-4.5 10969/2.1=62...(16) HB2 ASN 120 - HB3 PRO 117 far 0 100 0 - 5.9-6.8 Violated in 0 structures by 0.00 A. Peak 11590 from aliabs.peaks (1.00, 2.01, 31.74 ppm; 4.24 A increased from 3.99 A): 1 out of 4 assignments used, quality = 0.98: QG2 VAL 118 + HB3 PRO 117 OK 98 100 100 98 4.0-4.2 3748/4.3=59, 3750/2.3=36...(17) QG2 VAL 105 - HB VAL 63 far 0 49 0 - 7.9-8.7 QG2 VAL 118 - HB VAL 63 far 0 49 0 - 8.6-9.5 QG2 VAL 105 - HB3 PRO 117 far 0 100 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 11591 from aliabs.peaks (1.14, 2.05, 27.30 ppm; 4.30 A): 2 out of 11 assignments used, quality = 0.84: QG2 VAL 132 + HG3 ARG 135 OK 61 61 100 100 4.0-4.7 3.2/10526=49...(42) QG1 VAL 132 + HG3 ARG 135 OK 58 58 100 100 2.2-3.2 10534=61, 11875/4.0=58...(42) QG2 THR 115 - HG3 PRO 113 poor 17 84 20 - 3.8-6.0 HG2 LYS 39 - HG3 PRO 81 poor 7 100 30 22 3.7-9.0 11778/10574=14, 1174=3...(4) HG3 LYS 39 - HG3 PRO 81 far 0 70 0 - 5.0-7.8 QG1 VAL 132 - HG3 PRO 81 far 0 98 0 - 5.9-8.3 QG2 THR 115 - HG2 PRO 117 far 0 99 0 - 6.6-7.0 QG2 THR 115 - HG3 PRO 117 far 0 99 0 - 6.6-7.1 QG2 VAL 132 - HG3 PRO 81 far 0 100 0 - 8.0-10.0 HG2 LYS 39 - HG3 ARG 135 far 0 61 0 - 8.2-10.8 HG3 LYS 39 - HG3 ARG 135 far 0 36 0 - 8.6-9.7 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 10 assignments used, quality = 0.99: QG2 VAL 118 + HG2 PRO 117 OK 85 89 100 96 2.6-2.9 11528/2.3=62...(14) QG2 VAL 118 + HG3 PRO 117 OK 84 89 100 95 4.2-4.5 11528/2.3=62...(11) QG1 VAL 112 + HG3 PRO 113 OK 64 64 100 100 2.9-3.0 11504/2.3=80...(38) QG2 VAL 105 - HG2 PRO 117 far 0 78 0 - 7.6-8.9 QD2 LEU 53 - HG2 PRO 117 far 0 83 0 - 8.6-9.5 QG2 VAL 105 - HG3 PRO 117 far 0 78 0 - 8.7-10.1 QD2 LEU 53 - HG3 PRO 113 far 0 66 0 - 8.9-11.3 QG1 VAL 112 - HG2 PRO 117 far 0 81 0 - 9.1-10.2 QG1 VAL 112 - HG3 PRO 117 far 0 81 0 - 9.2-10.2 QD2 LEU 53 - HG3 PRO 117 far 0 83 0 - 9.4-10.5 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; 5.65 A increased from 5.32 A): 1 out of 1 assignment used, quality = 0.97: HB3 ASN 121 + HB VAL 118 OK 97 97 100 100 4.7-5.7 11601/2.1=97...(27) Violated in 1 structures by 0.00 A. Peak 11595 from aliabs.peaks (2.79, 2.06, 31.39 ppm; 6.10 A increased from 5.74 A): 1 out of 3 assignments used, quality = 0.98: HB2 ASN 121 + HB VAL 118 OK 98 98 100 100 4.8-6.0 11539/2.1=97...(30) HB3 ASN 120 - HB VAL 118 far 5 96 5 - 6.7-6.9 HB2 ASN 120 - HB VAL 118 far 0 93 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 11596 from aliabs.peaks (4.27, 2.06, 31.39 ppm; 4.79 A): 0 out of 3 assignments used, quality = 0.00: HA ALA 109 - HB VAL 118 far 0 99 0 - 9.1-11.0 HB THR 115 - HB VAL 118 far 0 100 0 - 9.3-9.6 HA ALA 108 - HB VAL 118 far 0 99 0 - 9.3-11.3 Violated in 20 structures by 3.42 A. Peak 11597 from aliabs.peaks (4.38, 2.06, 31.39 ppm; 6.04 A increased from 5.08 A): 2 out of 4 assignments used, quality = 0.99: HA PRO 117 + HB VAL 118 OK 90 90 100 100 5.6-5.8 3.6/3736=97, ~11590=81...(10) HA SER 107 + HB VAL 118 OK 90 98 100 92 4.5-6.5 10272/2.1=60...(11) HA THR 115 - HB VAL 118 far 0 85 0 - 9.1-9.3 HA PRO 113 - HB VAL 118 far 0 92 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 11598 from aliabs.peaks (4.01, 0.89, 21.66 ppm; 3.28 A): 3 out of 9 assignments used, quality = 1.00: HA LEU 103 + QG1 VAL 118 OK 99 100 100 99 2.7-3.3 11836=70, 3.0/11705=31...(17) HB3 SER 99 + QG1 VAL 118 OK 87 93 100 93 1.8-3.4 3.0/11599=40...(17) HA LEU 119 + QG1 VAL 118 OK 79 93 100 84 3.3-3.7 ~7648=23, ~3753=23...(13) HA LEU 122 - QG1 VAL 118 far 0 63 0 - 4.7-5.4 HA SER 60 - QG1 VAL 118 far 0 100 0 - 6.9-8.3 HA LYS 95 - QG1 VAL 118 far 0 95 0 - 7.5-8.2 HB3 SER 124 - QG1 VAL 118 far 0 100 0 - 8.1-8.7 HB2 SER 124 - QG1 VAL 118 far 0 78 0 - 8.2-9.0 HA SER 50 - QG1 VAL 118 far 0 92 0 - 9.4-10.4 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 3 assignments used, quality = 0.93: HA SER 99 + QG1 VAL 118 OK 93 93 100 100 2.3-3.3 11482=68, 10271/2.1=66...(16) HA SER 124 - QG1 VAL 118 far 0 100 0 - 9.3-9.9 HA SER 94 - QG1 VAL 118 far 0 100 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 11600 from aliabs.peaks (4.35, 0.89, 21.66 ppm; 6.18 A increased from 5.20 A): 2 out of 4 assignments used, quality = 0.99: HA PRO 117 + QG1 VAL 118 OK 97 97 100 100 6.0-6.1 3.6/7641=96, ~11590=84...(8) HA ASN 59 + QG1 VAL 118 OK 46 83 95 59 5.6-7.0 9362/11822=24, ~10932=23...(4) HA CYS 125 - QG1 VAL 118 far 0 100 0 - 8.9-9.5 HA PRO 113 - QG1 VAL 118 far 0 97 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 11601 from aliabs.peaks (2.96, 0.89, 21.66 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.95: HB3 ASN 121 + QG1 VAL 118 OK 95 95 100 100 2.8-3.3 1.8/11602=79...(27) 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 3.1-3.6 1.8/11601=76...(34) HB3 ASN 120 - QG1 VAL 118 far 0 100 0 - 6.1-6.4 HB2 ASN 120 - QG1 VAL 118 far 0 100 0 - 6.9-7.4 HB3 ASP 64 - QG1 VAL 118 far 0 100 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 11603 from aliabs.peaks (2.96, 1.00, 22.19 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.96: HB3 ASN 121 + QG2 VAL 118 OK 89 89 100 100 3.7-4.7 11601/2.1=63...(28) HB3 ASN 116 + QG2 VAL 118 OK 62 65 100 95 3.3-3.9 3.5/10278=53...(13) Violated in 0 structures by 0.00 A. Peak 11604 from aliabs.peaks (2.80, 1.00, 22.19 ppm; 4.59 A increased from 4.08 A): 1 out of 3 assignments used, quality = 1.00: HB2 ASN 121 + QG2 VAL 118 OK 100 100 100 100 3.9-4.6 11602/2.1=79...(30) HB3 ASN 120 - QG2 VAL 118 far 0 100 0 - 6.3-6.6 HB2 ASN 120 - QG2 VAL 118 far 0 100 0 - 7.4-7.9 Violated in 2 structures by 0.00 A. Peak 11605 from aliabs.peaks (4.48, 3.81, 64.89 ppm; 5.34 A): 1 out of 2 assignments used, quality = 1.00: HA ASN 121 + HA VAL 118 OK 100 100 100 100 4.6-4.8 3.0/3735=91, 3.0/3734=91...(32) HA SER 106 - HA VAL 118 far 0 76 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 11606 from aliabs.peaks (2.22, 0.89, 21.66 ppm; 4.69 A increased from 3.95 A): 1 out of 7 assignments used, quality = 0.97: HB3 GLU 102 + QG1 VAL 118 OK 97 97 100 100 4.0-4.7 11545/2.1=88...(23) HB3 GLN 104 - QG1 VAL 118 far 0 99 0 - 6.4-6.9 HB2 GLN 101 - QG1 VAL 118 far 0 96 0 - 6.8-7.8 HB2 GLN 104 - QG1 VAL 118 far 0 60 0 - 7.3-7.7 HB3 LEU 96 - QG1 VAL 118 far 0 71 0 - 7.7-8.3 HB3 GLU 97 - QG1 VAL 118 far 0 100 0 - 7.8-8.9 HG2 GLU 97 - QG1 VAL 118 far 0 71 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 11607 from aliabs.peaks (2.20, 1.00, 22.19 ppm; 3.81 A): 0 out of 4 assignments used, quality = 0.00: HB2 GLN 101 - QG2 VAL 118 far 0 98 0 - 7.1-8.5 HB3 GLN 104 - QG2 VAL 118 far 0 65 0 - 7.7-8.2 HB2 GLN 104 - QG2 VAL 118 far 0 99 0 - 8.2-8.7 HB3 GLU 97 - QG2 VAL 118 far 0 76 0 - 9.3-10.5 Violated in 20 structures by 2.88 A. Peak 11608 from aliabs.peaks (2.34, 2.06, 31.39 ppm; 4.30 A): 0 out of 2 assignments used, quality = 0.00: HG2 GLU 102 - HB VAL 118 far 0 96 0 - 5.3-6.5 HB2 PRO 117 - HB VAL 118 far 0 87 0 - 6.7-6.9 Violated in 20 structures by 1.20 A. Peak 11609 from aliabs.peaks (1.79, 1.00, 22.19 ppm; 4.93 A increased from 4.38 A): 1 out of 4 assignments used, quality = 1.00: HB3 LEU 103 + QG2 VAL 118 OK 100 100 100 100 4.4-4.9 1.8/10263=99...(29) HB3 LEU 122 - QG2 VAL 118 far 0 100 0 - 6.0-7.1 HB3 LEU 98 - QG2 VAL 118 far 0 100 0 - 6.3-7.8 HG LEU 100 - QG2 VAL 118 far 0 92 0 - 6.6-7.2 Violated in 0 structures by 0.00 A. Peak 11610 from aliabs.peaks (0.78, 3.81, 64.89 ppm; 4.93 A increased from 4.38 A): 2 out of 8 assignments used, quality = 1.00: QD1 LEU 103 + HA VAL 118 OK 100 100 100 100 4.2-5.3 10265/3749=89...(28) QD2 LEU 122 + HA VAL 118 OK 97 99 100 98 3.5-5.4 10307/3734=41...(22) QD1 LEU 122 - HA VAL 118 poor 13 65 20 - 4.3-6.5 QD2 LEU 119 - HA VAL 118 far 0 97 0 - 6.2-6.5 QD1 LEU 53 - HA VAL 118 far 0 93 0 - 6.8-8.2 QD1 LEU 96 - HA VAL 118 far 0 99 0 - 7.4-8.2 QD2 LEU 49 - HA VAL 118 far 0 87 0 - 7.8-8.7 QG1 VAL 63 - HA VAL 118 far 0 100 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 11611 from aliabs.peaks (0.77, 2.06, 31.39 ppm; 3.32 A): 1 out of 7 assignments used, quality = 0.96: QD1 LEU 103 + HB VAL 118 OK 96 97 100 99 1.9-2.7 10265/2.1=59, 10069=48...(31) QD2 LEU 122 - HB VAL 118 far 5 90 5 - 3.7-6.3 QD2 LEU 119 - HB VAL 118 far 0 85 0 - 4.5-4.9 QD1 LEU 53 - HB VAL 118 far 0 76 0 - 7.1-8.4 QG1 VAL 63 - HB VAL 118 far 0 96 0 - 7.5-8.2 QD2 LEU 49 - HB VAL 118 far 0 65 0 - 7.8-8.6 QD1 LEU 96 - HB VAL 118 far 0 100 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 11612 from aliabs.peaks (0.79, 0.89, 21.66 ppm; 2.76 A): 3 out of 9 assignments used, quality = 0.99: QD1 LEU 103 + QG1 VAL 118 OK 97 100 100 97 1.8-3.0 10265/2.1=41...(25) QD2 LEU 122 + QG1 VAL 118 OK 64 100 90 72 1.7-3.6 11481/11482=16...(19) QD1 LEU 122 + QG1 VAL 118 OK 26 83 50 64 2.8-4.6 4.3/11748=16...(17) QD2 LEU 119 - QG1 VAL 118 far 0 100 0 - 4.4-4.8 QD1 LEU 96 - QG1 VAL 118 far 0 95 0 - 5.2-5.8 QG1 VAL 63 - QG1 VAL 118 far 0 100 0 - 5.3-5.9 QD1 LEU 53 - QG1 VAL 118 far 0 99 0 - 5.4-6.4 QD2 LEU 49 - QG1 VAL 118 far 0 97 0 - 5.4-6.2 QD1 LEU 70 - QG1 VAL 118 far 0 68 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 11614 from aliabs.peaks (2.81, 4.03, 57.80 ppm; 5.79 A increased from 5.45 A): 2 out of 3 assignments used, quality = 1.00: HB3 ASN 120 + HA LEU 119 OK 98 98 100 100 5.6-5.7 10303/2.9=90...(15) HB2 ASN 121 + HA LEU 119 OK 95 96 100 99 5.2-6.3 3839/4.9=69...(12) HB2 ASN 120 - HA LEU 119 far 5 99 5 - 6.3-6.6 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 5.8-6.7 3.8/7664=97, ~10303=97...(13) HB3 ASN 120 + HB2 LEU 119 OK 83 83 100 100 5.2-5.7 3.8/7664=97...(12) HB2 ASN 116 + HB2 LEU 119 OK 63 63 100 100 5.6-6.8 10294/3.0=100, ~10295=92...(24) HB2 ASN 121 + HB2 LEU 119 OK 31 76 55 75 6.9-8.2 11614/2.9=41...(6) Violated in 0 structures by 0.00 A. Peak 11616 from aliabs.peaks (2.95, 1.87, 40.68 ppm; 5.78 A): 1 out of 2 assignments used, quality = 0.83: HB3 ASN 116 + HB3 LEU 119 OK 83 83 100 100 4.2-6.2 1.8/10224=87, ~10294=77...(23) HB3 ASN 121 - HB3 LEU 119 poor 15 73 20 - 6.3-7.5 Violated in 1 structures by 0.02 A. Peak 11617 from aliabs.peaks (2.95, 1.54, 40.68 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.87: HB3 ASN 116 + HB2 LEU 119 OK 83 83 100 100 5.1-7.2 11616/1.8=98, ~10294=92...(23) HB3 ASN 121 + HB2 LEU 119 OK 26 73 45 80 6.9-7.9 10299/7664=40, ~11614=36...(8) Violated in 0 structures by 0.00 A. Peak 11618 from aliabs.peaks (2.94, 1.62, 27.00 ppm; 5.10 A): 2 out of 24 assignments used, quality = 0.97: HB3 ASN 116 + HG LEU 119 OK 96 96 100 100 2.3-4.5 11584=90, 10295/2.1=85...(28) HE3 LYS 24 + HG LEU 22 OK 25 95 60 44 2.4-10.4 4.0/11105=10, 7.4/460=9...(8) HE2 LYS 24 - HG LEU 22 poor 16 92 40 42 2.6-11.7 4.0/11105=10, 7.4/460=9...(8) HE2 LYS 24 - HG3 ARG 23 far 15 98 15 - 4.9-10.6 HE3 LYS 26 - HG3 ARG 23 far 9 88 10 - 3.3-12.6 HD2 ARG 135 - HG2 ARG 84 far 7 48 15 - 4.7-11.7 HD2 ARG 135 - HG3 ARG 84 far 6 39 15 - 5.1-10.7 HE3 LYS 24 - HG3 ARG 23 far 5 100 5 - 4.3-9.9 HE2 LYS 26 - HG3 ARG 23 far 5 93 5 - 3.7-14.0 HE2 LYS 31 - HG3 ARG 23 far 5 93 5 - 5.6-22.2 HE3 LYS 31 - HG3 ARG 23 far 0 98 0 - 6.2-22.3 HE3 LYS 86 - HG2 ARG 84 far 0 59 0 - 7.2-10.3 HB3 ASN 116 - HG LEU 122 far 0 62 0 - 7.3-10.7 HE3 LYS 86 - HG3 ARG 23 far 0 97 0 - 7.5-26.1 HE3 LYS 86 - HG3 ARG 84 far 0 49 0 - 8.2-11.5 HE3 LYS 26 - HG LEU 22 far 0 80 0 - 8.6-15.6 HE2 LYS 26 - HG LEU 22 far 0 85 0 - 8.7-16.5 HE3 LYS 19 - HG3 ARG 23 far 0 96 0 - 8.8-14.2 HE2 LYS 19 - HG LEU 22 far 0 89 0 - 9.1-13.9 HE3 LYS 36 - HG3 ARG 23 far 0 91 0 - 9.1-23.6 HE3 LYS 31 - HG LEU 22 far 0 92 0 - 9.1-26.2 HE3 LYS 19 - HG2 ARG 84 far 0 58 0 - 9.2-45.2 HE3 LYS 19 - HG LEU 22 far 0 89 0 - 9.3-14.2 HE2 LYS 19 - HG2 ARG 84 far 0 58 0 - 9.6-45.4 Violated in 0 structures by 0.00 A. Peak 11619 from aliabs.peaks (2.77, 0.94, 25.07 ppm; 5.24 A): 0 out of 1 assignment used, quality = 0.00: HB2 ASN 121 - QD1 LEU 119 far 0 65 0 - 6.1-8.0 Violated in 20 structures by 1.73 A. Peak 11621 from aliabs.peaks (4.17, 0.79, 23.00 ppm; 4.60 A increased from 4.09 A): 1 out of 2 assignments used, quality = 0.67: HA LEU 53 + QD2 LEU 119 OK 67 97 100 69 3.9-4.6 1641=40, 1679/1683=24...(5) HA VAL 105 - QD2 LEU 119 far 0 98 0 - 9.9-11.0 Violated in 1 structures by 0.00 A. Peak 11622 from aliabs.peaks (4.29, 0.79, 23.00 ppm; 4.08 A): 0 out of 5 assignments used, quality = 0.00: HB THR 115 - QD2 LEU 119 far 0 90 0 - 5.4-5.8 HA ALA 109 - QD2 LEU 119 far 0 97 0 - 6.4-7.6 HA ALA 110 - QD2 LEU 119 far 0 100 0 - 6.7-8.1 HA GLN 61 - QD2 LEU 119 far 0 98 0 - 7.2-8.0 HA ALA 108 - QD2 LEU 119 far 0 97 0 - 7.7-8.8 Violated in 20 structures by 1.04 A. Peak 11623 from aliabs.peaks (4.40, 0.94, 25.07 ppm; 4.69 A increased from 4.17 A): 2 out of 6 assignments used, quality = 1.00: HA THR 115 + QD1 LEU 119 OK 99 99 100 100 4.3-4.7 3636/10296=70...(16) HA SER 107 + QD1 LEU 119 OK 32 90 45 79 4.7-5.8 3.0/10110=42, ~10111=32...(8) HA VAL 112 - QD1 LEU 119 far 5 93 5 - 5.2-6.3 HA ASN 120 - QD1 LEU 119 far 0 87 0 - 5.4-5.6 HA THR 54 - QD1 LEU 119 far 0 85 0 - 7.3-9.0 HA HIS 5 - QD1 LEU 119 far 0 99 0 - 9.8-49.9 Violated in 0 structures by 0.00 A. Peak 11624 from aliabs.peaks (2.06, 0.94, 25.07 ppm; 4.37 A increased from 4.11 A): 1 out of 9 assignments used, quality = 1.00: HB VAL 118 + QD1 LEU 119 OK 100 100 100 100 3.6-4.4 10258/2.1=70...(15) HG3 PRO 113 - QD1 LEU 119 far 0 99 0 - 5.1-7.0 HG2 PRO 117 - QD1 LEU 119 far 0 96 0 - 5.4-5.9 HB2 LEU 62 - QD1 LEU 119 far 0 99 0 - 5.7-6.3 HG3 PRO 117 - QD1 LEU 119 far 0 96 0 - 6.1-6.4 HB VAL 57 - QD1 LEU 119 far 0 68 0 - 7.3-8.0 HB2 GLU 102 - QD1 LEU 119 far 0 87 0 - 7.7-10.7 HG3 PRO 58 - QD1 LEU 119 far 0 100 0 - 9.4-10.3 HB3 GLU 55 - QD1 LEU 119 far 0 78 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 11625 from aliabs.peaks (4.37, 2.80, 37.41 ppm; 3.64 A): 1 out of 9 assignments used, quality = 0.96: HA PRO 117 + HB3 ASN 120 OK 96 97 100 99 3.2-3.5 11561=94, 11735/3.5=37...(8) HA PRO 117 - HB2 ASN 120 far 0 96 0 - 4.8-5.1 HA GLN 134 - HB3 ASN 85 far 0 44 0 - 7.8-8.5 HA THR 115 - HB3 ASN 120 far 0 73 0 - 8.0-9.4 HA ASP 78 - HB3 ASN 85 far 0 61 0 - 8.7-10.0 HA PRO 113 - HB3 ASN 120 far 0 97 0 - 8.9-10.8 HA CYS 125 - HB2 ASN 120 far 0 84 0 - 9.0-9.8 HA THR 115 - HB2 ASN 120 far 0 73 0 - 9.5-11.0 HA CYS 73 - HB3 ASN 85 far 0 65 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 11626 from aliabs.peaks (4.49, 2.80, 37.41 ppm; 4.32 A increased from 3.64 A): 2 out of 4 assignments used, quality = 0.99: HA ASN 121 + HB2 ASN 120 OK 91 100 95 97 4.1-5.4 3831=47, 3974/10355=43...(12) HA ASN 121 + HB3 ASN 120 OK 86 100 95 90 4.6-5.2 3831/1.8=42, 2.9/7695=26...(11) HB THR 54 - HB2 ASN 120 far 0 70 0 - 8.9-11.9 HB THR 54 - HB3 ASN 120 far 0 71 0 - 9.6-12.3 Violated in 1 structures by 0.02 A. Peak 11628 from aliabs.peaks (0.90, 4.42, 55.85 ppm; 3.80 A): 1 out of 6 assignments used, quality = 0.84: QD2 LEU 123 + HA ASN 120 OK 84 85 100 99 2.7-3.3 3.2/3813=51, 11632=48...(16) QD1 LEU 123 - HA ASN 120 far 0 73 0 - 4.7-5.0 QD1 LEU 62 - HA ASN 120 far 0 96 0 - 4.9-5.8 QG1 VAL 118 - HA ASN 120 far 0 99 0 - 6.2-6.5 QD1 LEU 49 - HA ASN 120 far 0 97 0 - 8.9-9.4 QG2 VAL 63 - HA ASN 120 far 0 98 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 11629 from aliabs.peaks (0.80, 4.42, 55.85 ppm; 4.65 A): 1 out of 7 assignments used, quality = 0.97: QD1 LEU 53 + HA ASN 120 OK 97 100 100 97 4.0-5.2 11422/11565=68...(10) QD1 LEU 122 - HA ASN 120 far 5 98 5 - 4.9-7.4 QD2 LEU 122 - HA ASN 120 far 0 97 0 - 5.6-7.0 QD2 LEU 119 - HA ASN 120 far 0 99 0 - 5.8-6.0 QD2 LEU 49 - HA ASN 120 far 0 100 0 - 6.9-7.3 QD1 LEU 103 - HA ASN 120 far 0 90 0 - 6.9-7.7 QD1 LEU 96 - HA ASN 120 far 0 73 0 - 8.1-8.8 Violated in 1 structures by 0.03 A. Peak 11630 from aliabs.peaks (4.42, 1.57, 26.88 ppm; 4.88 A): 2 out of 7 assignments used, quality = 1.00: HA ASN 120 + HG LEU 123 OK 99 99 100 100 3.7-4.3 11628/2.1=93...(14) HA SER 107 + HG LEU 103 OK 50 59 90 95 4.1-5.9 ~10106=41, ~10106=31...(19) HA SER 33 - HG2 ARG 23 far 0 70 0 - 5.9-18.9 HA THR 54 - HG LEU 123 far 0 99 0 - 6.6-8.4 HA HIS 5 - HG LEU 123 far 0 100 0 - 8.1-60.0 HA ASP 71 - HG2 ARG 23 far 0 98 0 - 8.9-23.8 HA ASN 120 - HG LEU 49 far 0 96 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 11631 from aliabs.peaks (4.43, 0.93, 23.87 ppm; 3.92 A): 0 out of 4 assignments used, quality = 0.00: HA ASN 120 - QD1 LEU 123 far 0 100 0 - 4.7-5.0 HA THR 54 - QD1 LEU 123 far 0 100 0 - 5.6-6.4 HA HIS 5 - QD1 LEU 123 far 0 90 0 - 6.7-50.3 HA ASP 64 - QD1 LEU 48 far 0 33 0 - 7.5-8.1 Violated in 20 structures by 0.74 A. Peak 11632 from aliabs.peaks (4.41, 0.88, 25.15 ppm; 3.75 A): 2 out of 4 assignments used, quality = 0.99: HA ASN 120 + QD2 LEU 123 OK 98 99 100 100 2.7-3.3 11565=81, 3813/3.2=49...(16) HA THR 54 + QD2 LEU 123 OK 57 98 65 90 3.6-5.0 1698/11583=60, 9277=38...(8) HA HIS 5 - QD2 LEU 123 far 0 100 0 - 7.7-50.2 HA THR 115 - QD2 LEU 123 far 0 90 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 11633 from aliabs.peaks (2.10, 1.65, 41.13 ppm; 6.78 A): 1 out of 2 assignments used, quality = 0.99: HB VAL 126 + HB2 LEU 123 OK 99 99 100 100 5.5-5.8 3917/3.0=98, ~10393=50...(10) HB2 GLU 128 - HB2 LEU 123 far 0 83 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 11634 from aliabs.peaks (4.43, 3.85, 58.17 ppm; 6.09 A): 1 out of 6 assignments used, quality = 0.98: HA ASN 120 + HA LEU 123 OK 98 98 100 100 5.0-5.5 7738/2.9=96, 3813/3.0=94...(12) HA ASP 64 - HA LEU 62 far 0 45 0 - 6.8-7.0 HA PRO 58 - HA LEU 62 far 0 39 0 - 7.8-8.3 HA THR 54 - HA LEU 123 far 0 99 0 - 7.9-9.6 HA ASN 120 - HA LEU 62 far 0 55 0 - 9.5-10.2 HA THR 54 - HA LEU 62 far 0 56 0 - 9.9-11.4 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 4 assignments used, quality = 0.89: HA SER 124 + HA LEU 123 OK 89 89 100 100 4.8-4.8 4.9=100 HA SER 51 - HA LEU 123 far 0 98 0 - 7.5-8.8 HA HIS 67 - HA LEU 62 far 0 44 0 - 9.1-9.6 HA SER 51 - HA LEU 62 far 0 55 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 11636 from aliabs.peaks (4.00, 0.88, 25.15 ppm; 3.54 A): 1 out of 6 assignments used, quality = 0.97: HA SER 50 + QD2 LEU 123 OK 97 99 100 98 2.8-3.5 11874/2.1=61...(20) HB3 SER 124 - QD2 LEU 123 far 0 97 0 - 4.4-5.3 HA LEU 119 - QD2 LEU 123 far 0 76 0 - 5.5-6.5 HB2 SER 124 - QD2 LEU 123 far 0 95 0 - 5.7-6.5 HB3 SER 51 - QD2 LEU 123 far 0 81 0 - 6.8-7.7 HB3 SER 99 - QD2 LEU 123 far 0 100 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 11637 from aliabs.peaks (2.47, 0.93, 23.87 ppm; 3.77 A): 1 out of 4 assignments used, quality = 0.96: HG3 GLN 127 + QD1 LEU 123 OK 96 96 100 100 1.8-2.1 10437=92, 1.8/11579=75...(19) HG3 GLU 44 - QD1 LEU 48 far 0 41 0 - 6.2-7.4 HG2 GLU 55 - QD1 LEU 123 far 0 85 0 - 7.8-9.4 HG2 GLU 55 - QD1 LEU 48 far 0 38 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 11638 from aliabs.peaks (2.34, 0.93, 23.87 ppm; 3.90 A): 1 out of 5 assignments used, quality = 1.00: HG2 GLN 127 + QD1 LEU 123 OK 100 100 100 100 3.1-3.5 10727=99, 1.8/10437=82...(19) HG3 GLN 68 - QD1 LEU 48 far 5 33 15 - 4.3-5.3 HG2 GLU 44 - QD1 LEU 48 far 0 29 0 - 5.4-7.3 HG2 GLU 128 - QD1 LEU 123 far 0 100 0 - 7.7-8.5 HG2 GLN 127 - QD1 LEU 48 far 0 52 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 11639 from aliabs.peaks (0.78, 0.88, 25.15 ppm; 3.40 A): 1 out of 7 assignments used, quality = 0.90: QD1 LEU 53 + QD2 LEU 123 OK 90 96 100 94 2.3-3.4 11571/3.2=43...(17) QD1 LEU 122 - QD2 LEU 123 far 0 71 0 - 4.4-7.2 QD2 LEU 119 - QD2 LEU 123 far 0 99 0 - 5.6-6.4 QD2 LEU 49 - QD2 LEU 123 far 0 90 0 - 5.7-6.4 QD2 LEU 122 - QD2 LEU 123 far 0 100 0 - 5.9-7.4 QD1 LEU 96 - QD2 LEU 123 far 0 99 0 - 7.3-8.0 QD1 LEU 103 - QD2 LEU 123 far 0 100 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 11640 from aliabs.peaks (1.24, 0.93, 23.87 ppm; 3.80 A): 2 out of 4 assignments used, quality = 0.96: QG2 THR 54 + QD1 LEU 123 OK 94 100 100 94 3.1-4.3 11583/2.1=76, 9275=31...(10) QG2 THR 65 + QD1 LEU 48 OK 44 45 100 97 1.9-2.6 9441/2.1=57...(16) QG2 THR 65 - QD1 LEU 123 far 0 95 0 - 6.5-7.1 QG2 THR 54 - QD1 LEU 48 far 0 52 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 11641 from aliabs.peaks (0.76, 4.24, 61.34 ppm; 4.90 A): 2 out of 9 assignments used, quality = 0.91: QG1 VAL 93 + HA SER 94 OK 85 85 100 100 2.8-3.0 9963=91, 7283/2.9=84...(24) QD2 LEU 96 + HA SER 94 OK 41 83 50 98 4.3-5.8 3098/7334=51...(12) QD1 LEU 96 - HA SER 94 far 0 89 0 - 6.4-7.0 QD2 LEU 122 - HA SER 94 far 0 66 0 - 7.1-9.6 HG12 ILE 129 - HA SER 124 far 0 89 0 - 7.1-8.4 QD2 LEU 122 - HA SER 124 far 0 76 0 - 7.4-8.4 QD1 LEU 96 - HA SER 124 far 0 97 0 - 7.6-8.2 QD2 LEU 96 - HA SER 124 far 0 93 0 - 8.0-9.0 HG12 ILE 129 - HA SER 94 far 0 78 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 11642 from aliabs.peaks (0.87, 4.24, 61.34 ppm; 5.16 A increased from 4.58 A): 4 out of 8 assignments used, quality = 1.00: QD2 LEU 123 + HA SER 124 OK 92 92 100 100 4.4-5.1 7766/2.9=73, ~7765=58...(18) QD2 LEU 70 + HA SER 94 OK 89 89 100 100 4.6-5.2 11109/3117=63...(17) QD2 LEU 98 + HA SER 94 OK 76 82 100 93 3.6-5.2 11440/4.9=64...(6) QD1 LEU 98 + HA SER 94 OK 36 90 50 81 5.1-7.0 11469/4.9=51, ~11438=44...(4) QG1 VAL 118 - HA SER 124 far 0 68 0 - 9.3-9.9 QD2 LEU 69 - HA SER 124 far 0 100 0 - 9.4-10.2 QG2 VAL 20 - HA SER 94 far 0 59 0 - 9.7-28.7 QG1 VAL 118 - HA SER 94 far 0 59 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 11643 from aliabs.peaks (4.04, 4.36, 62.46 ppm; 4.98 A increased from 4.43 A): 4 out of 5 assignments used, quality = 1.00: HA LEU 122 + HA CYS 125 OK 93 100 95 98 5.1-5.6 3994/3.0=44, 3988/3.0=43...(16) HA ALA 92 + HA CYS 125 OK 87 87 100 100 3.9-5.0 2.1/10376=88, ~11396=47...(13) HB3 SER 124 + HA CYS 125 OK 63 73 90 96 5.4-5.7 ~7780=58, 3979/2.9=51...(8) HA LEU 96 + HA CYS 125 OK 40 89 45 99 5.1-5.8 3994/3.0=42, 3988/3.0=42...(21) HA LYS 95 - HA CYS 125 far 0 96 0 - 7.0-7.9 Violated in 0 structures by 0.00 A. Peak 11644 from aliabs.peaks (4.19, 4.36, 62.46 ppm; 5.81 A increased from 4.89 A): 1 out of 2 assignments used, quality = 1.00: HA GLU 128 + HA CYS 125 OK 100 100 100 100 5.3-5.7 3.0/3986=97, 2.9/7839=95...(15) HA ALA 88 - HA CYS 125 far 0 90 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 11645 from aliabs.peaks (3.43, 3.20, 26.80 ppm; 5.65 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 126 + HB3 CYS 125 OK 100 100 100 100 3.7-4.9 3.2/10386=89...(19) HA ILE 129 - HB3 CYS 125 far 0 73 0 - 6.6-8.4 Violated in 0 structures by 0.00 A. Peak 11646 from aliabs.peaks (3.43, 2.73, 26.80 ppm; 6.46 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 126 + HB2 CYS 125 OK 100 100 100 100 3.8-5.1 3.2/10381=97...(23) HA ILE 129 - HB2 CYS 125 poor 18 73 25 - 6.7-8.4 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 = 0.91: HG2 GLU 128 + HA CYS 125 OK 89 99 90 100 3.2-5.2 3.0/3986=73...(15) HG2 GLN 127 + HA CYS 125 OK 24 99 40 61 4.3-8.3 7846/7839=26, ~10359=15...(9) Violated in 2 structures by 0.08 A. Peak 11648 from aliabs.peaks (2.42, 4.36, 62.46 ppm; 4.88 A increased from 4.59 A): 1 out of 3 assignments used, quality = 1.00: HG3 GLU 128 + HA CYS 125 OK 100 100 100 100 3.7-4.9 11698=99, 3.0/3986=84...(15) HG2 MET 11 - HA CYS 125 far 0 63 0 - 7.8-46.3 HG3 GLU 97 - HA CYS 125 far 0 90 0 - 8.7-9.5 Violated in 1 structures by 0.00 A. Peak 11649 from aliabs.peaks (1.65, 4.36, 62.46 ppm; 5.12 A): 0 out of 6 assignments used, quality = 0.00: HD2 LYS 95 - HA CYS 125 poor 20 100 20 - 4.6-8.5 HD3 LYS 95 - HA CYS 125 poor 20 99 20 - 5.1-8.3 HB2 LEU 123 - HA CYS 125 far 0 100 0 - 7.2-7.6 QB ALA 88 - HA CYS 125 far 0 97 0 - 7.5-8.5 HB2 LEU 69 - HA CYS 125 far 0 100 0 - 8.8-9.3 HB2 LEU 98 - HA CYS 125 far 0 99 0 - 8.8-10.2 Violated in 16 structures by 0.57 A. Peak 11650 from aliabs.peaks (1.95, 4.36, 62.46 ppm; 5.20 A increased from 4.89 A): 2 out of 3 assignments used, quality = 0.97: HB2 LYS 95 + HA CYS 125 OK 90 92 100 97 4.1-5.2 9948/10376=61...(13) HB3 LYS 95 + HA CYS 125 OK 72 96 80 94 4.7-6.5 11658/3.0=34, ~11597=31...(12) HG LEU 53 - HA CYS 125 far 0 90 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 11651 from aliabs.peaks (1.64, 2.73, 26.80 ppm; 4.55 A): 0 out of 6 assignments used, quality = 0.00: HD2 LYS 95 - HB2 CYS 125 far 5 96 5 - 5.0-8.3 HD3 LYS 95 - HB2 CYS 125 far 0 89 0 - 5.4-8.0 HB2 LEU 123 - HB2 CYS 125 far 0 99 0 - 6.1-7.8 HB2 LEU 69 - HB2 CYS 125 far 0 99 0 - 6.7-8.3 HB2 LEU 98 - HB2 CYS 125 far 0 100 0 - 6.9-8.6 QB ALA 88 - HB2 CYS 125 far 0 81 0 - 9.0-10.7 Violated in 19 structures by 0.79 A. Peak 11652 from aliabs.peaks (1.94, 2.73, 26.80 ppm; 5.04 A increased from 4.48 A): 2 out of 4 assignments used, quality = 1.00: HB2 LYS 95 + HB2 CYS 125 OK 98 100 100 98 3.2-5.0 11658/1.8=47...(16) HB3 LYS 95 + HB2 CYS 125 OK 97 100 100 97 3.9-5.4 11658/1.8=42, ~11597=37...(17) HB3 LEU 49 - HB2 CYS 125 far 0 76 0 - 6.9-7.9 HG LEU 53 - HB2 CYS 125 far 0 100 0 - 7.4-10.3 Violated in 0 structures by 0.00 A. Peak 11653 from aliabs.peaks (1.79, 2.73, 26.80 ppm; 6.29 A increased from 5.30 A): 1 out of 3 assignments used, quality = 1.00: HB3 LEU 122 + HB2 CYS 125 OK 100 100 100 100 4.6-6.5 1.8/11595=65, ~9498=63...(22) HG LEU 100 - HB2 CYS 125 far 9 89 10 - 6.4-7.6 HB3 LEU 98 - HB2 CYS 125 far 0 99 0 - 8.5-10.0 Violated in 3 structures by 0.02 A. Peak 11654 from aliabs.peaks (2.08, 2.73, 26.80 ppm; 5.34 A increased from 5.02 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 128 + HB2 CYS 125 OK 100 100 100 100 4.9-5.5 3986/3.0=92...(19) HB VAL 126 + HB2 CYS 125 OK 65 65 100 100 4.6-5.4 2.1/10381=94, ~10386=75...(17) HG3 GLU 91 - HB2 CYS 125 far 0 97 0 - 8.2-11.9 HB VAL 118 - HB2 CYS 125 far 0 90 0 - 9.8-11.7 HB2 LEU 62 - HB2 CYS 125 far 0 73 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 11655 from aliabs.peaks (2.24, 2.73, 26.80 ppm; 4.62 A): 1 out of 6 assignments used, quality = 1.00: HB3 LEU 96 + HB2 CYS 125 OK 100 100 100 100 2.4-4.4 11659/1.8=70...(31) HB3 GLN 127 - HB2 CYS 125 far 0 90 0 - 6.3-7.6 HG2 GLU 97 - HB2 CYS 125 far 0 100 0 - 6.5-8.4 HB3 GLU 128 - HB2 CYS 125 far 0 99 0 - 6.6-7.1 HB3 GLU 97 - HB2 CYS 125 far 0 85 0 - 8.4-9.8 HG2 GLU 91 - HB2 CYS 125 far 0 63 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 11656 from aliabs.peaks (1.64, 3.20, 26.80 ppm; 4.35 A): 0 out of 8 assignments used, quality = 0.00: HB2 LEU 122 - HB3 CYS 125 poor 17 57 30 - 4.2-5.8 HD2 LYS 95 - HB3 CYS 125 far 0 92 0 - 5.2-8.5 HD3 LYS 95 - HB3 CYS 125 far 0 83 0 - 5.8-8.2 HB2 LEU 123 - HB3 CYS 125 far 0 97 0 - 6.2-7.8 HB2 LEU 69 - HB3 CYS 125 far 0 97 0 - 6.8-7.9 HB2 LEU 98 - HB3 CYS 125 far 0 99 0 - 7.3-8.3 QB ALA 88 - HB3 CYS 125 far 0 73 0 - 8.6-10.5 HG LEU 70 - HB3 CYS 125 far 0 65 0 - 8.8-9.9 Violated in 14 structures by 0.25 A. Peak 11657 from aliabs.peaks (1.77, 3.20, 26.80 ppm; 5.96 A increased from 5.02 A): 2 out of 5 assignments used, quality = 0.91: HB3 LEU 122 + HB3 CYS 125 OK 73 81 90 100 4.9-6.6 ~11828=67, 3.1/9498=64...(21) HG13 ILE 129 + HB3 CYS 125 OK 67 71 95 100 3.9-6.7 2.1/10388=98, ~10383=84...(14) HG LEU 100 - HB3 CYS 125 far 0 100 0 - 6.6-8.1 HB3 LEU 98 - HB3 CYS 125 far 0 93 0 - 8.6-9.8 HB3 LEU 103 - HB3 CYS 125 far 0 73 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 11658 from aliabs.peaks (1.94, 3.20, 26.80 ppm; 4.63 A): 2 out of 6 assignments used, quality = 0.99: HB2 LYS 95 + HB3 CYS 125 OK 93 100 95 98 3.6-5.5 11447=43, 1.8/11447=35...(18) HB3 LYS 95 + HB3 CYS 125 OK 83 100 85 98 4.4-6.0 11447=41, 1.8/11447=37...(20) HB3 LEU 49 - HB3 CYS 125 far 0 68 0 - 6.9-8.7 HG LEU 53 - HB3 CYS 125 far 0 100 0 - 7.7-10.3 HB2 MET 11 - HB3 CYS 125 far 0 76 0 - 9.3-45.4 HB3 ARG 90 - HB3 CYS 125 far 0 97 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 11659 from aliabs.peaks (2.24, 3.20, 26.80 ppm; 4.98 A): 1 out of 5 assignments used, quality = 1.00: HB3 LEU 96 + HB3 CYS 125 OK 100 100 100 100 1.9-3.9 11655/1.8=87...(33) HB3 GLN 127 - HB3 CYS 125 far 0 85 0 - 6.4-7.7 HB3 GLU 128 - HB3 CYS 125 far 0 97 0 - 6.5-7.5 HG2 GLU 97 - HB3 CYS 125 far 0 100 0 - 6.6-8.1 HB3 GLU 97 - HB3 CYS 125 far 0 78 0 - 8.5-9.4 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 3.8-4.2 4.2/4006=75, 7839/5.0=65...(20) H GLN 68 - HA VAL 126 far 0 100 0 - 9.9-10.5 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 0 assignments used, quality = 0.00: Peak 11664 from aliabs.peaks (8.01, 0.96, 22.63 ppm; 4.56 A): 3 out of 6 assignments used, quality = 1.00: H ILE 129 + QG1 VAL 126 OK 97 97 100 100 4.2-5.0 3.8/11691=61...(11) H SER 130 + QG1 VAL 126 OK 77 78 100 99 3.9-4.2 10497=59, 4.6/11691=51...(12) H SER 51 + QG1 VAL 126 OK 43 65 70 94 4.9-5.7 3.1/11785=74...(8) H CYS 125 - QG1 VAL 126 far 0 63 0 - 5.6-5.7 H ALA 52 - QG1 VAL 126 far 0 95 0 - 6.1-6.8 H SER 94 - QG1 VAL 126 far 0 83 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 11665 from aliabs.peaks (8.48, 0.96, 22.63 ppm; 5.17 A): 1 out of 6 assignments used, quality = 0.65: H ASP 47 + QG1 VAL 126 OK 65 65 100 100 4.2-4.4 3.7/10409=91...(12) H LEU 70 - QG1 VAL 126 far 0 83 0 - 6.2-6.8 H VAL 132 - QG1 VAL 126 far 0 96 0 - 7.7-8.0 H GLU 97 - QG1 VAL 126 far 0 96 0 - 7.9-8.5 H LEU 100 - QG1 VAL 126 far 0 100 0 - 8.6-9.2 H HIS 4 - QG1 VAL 126 far 0 63 0 - 10.0-52.2 Violated in 0 structures by 0.00 A. Peak 11666 from aliabs.peaks (8.65, 0.96, 22.63 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.92: H SER 50 + QG1 VAL 126 OK 92 92 100 100 2.5-3.1 11785=87, ~11668=48...(16) Violated in 0 structures by 0.00 A. Peak 11667 from aliabs.peaks (8.02, 0.96, 24.06 ppm; 4.87 A): 2 out of 6 assignments used, quality = 0.98: H CYS 125 + QG2 VAL 126 OK 85 85 100 100 4.3-4.6 3.6/4021=82...(20) H ILE 129 + QG2 VAL 126 OK 84 85 100 98 4.9-5.3 4006/3.2=57...(10) H SER 130 - QG2 VAL 126 far 0 95 0 - 5.6-6.1 H LEU 48 - QG2 VAL 126 far 0 68 0 - 6.6-6.8 H ALA 52 - QG2 VAL 126 far 0 100 0 - 7.2-7.9 H SER 94 - QG2 VAL 126 far 0 60 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 11668 from aliabs.peaks (4.00, 2.11, 31.38 ppm; 5.11 A increased from 4.55 A): 1 out of 6 assignments used, quality = 0.98: HA SER 50 + HB VAL 126 OK 98 98 100 99 4.6-5.1 ~11785=60, ~11601=58...(15) HB2 SER 124 - HB VAL 126 far 0 90 0 - 7.2-7.6 HB3 SER 124 - HB VAL 126 far 0 99 0 - 7.3-7.6 HA LEU 119 - HB VAL 126 far 0 83 0 - 8.2-8.7 HB3 SER 99 - HB VAL 126 far 0 99 0 - 8.6-9.7 HB3 SER 51 - HB VAL 126 far 0 73 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 11669 from aliabs.peaks (3.83, 3.43, 67.09 ppm; 5.94 A increased from 5.00 A): 3 out of 3 assignments used, quality = 0.95: HA LEU 123 + HA VAL 126 OK 83 85 100 98 5.4-5.7 3917/3.0=72, 3916/2.9=69...(9) HB2 SER 50 + HA VAL 126 OK 53 99 55 97 6.0-8.0 ~11668=52, 4037/4.8=51...(9) HB2 SER 130 + HA VAL 126 OK 32 95 35 98 4.6-8.0 11718/9187=67, ~11745=45...(10) Violated in 0 structures by 0.00 A. Peak 11670 from aliabs.peaks (4.23, 3.97, 58.71 ppm; 4.11 A): 0 out of 4 assignments used, quality = 0.00: HA ALA 88 - HA GLU 91 far 0 56 0 - 5.0-5.3 HA SER 124 - HA GLN 127 far 0 95 0 - 5.7-6.0 HA SER 94 - HA GLU 91 far 0 84 0 - 6.1-6.4 HA SER 51 - HA GLN 127 far 0 95 0 - 8.2-9.6 Violated in 20 structures by 0.55 A. Peak 11671 from aliabs.peaks (4.24, 2.34, 33.53 ppm; 3.77 A): 3 out of 19 assignments used, quality = 1.00: HA GLN 27 + HG2 GLN 27 OK 96 96 100 100 2.1-3.7 3.7=100 HA GLN 27 + HG3 GLN 27 OK 95 95 100 100 2.8-4.2 3.7=100 HA SER 124 + HG2 GLN 127 OK 38 100 40 94 2.7-6.0 4049/4062=51...(11) HA LYS 26 - HG2 GLN 27 poor 16 62 25 - 3.2-6.5 HA LYS 26 - HG3 GLN 27 poor 12 62 20 - 4.0-7.5 HA ALA 29 - HG2 GLN 27 poor 11 86 25 53 3.9-7.3 ~10788=22...(8) HA ALA 29 - HG3 GLN 27 far 9 85 10 - 4.1-8.4 HA ALA 28 - HG2 GLN 27 far 5 97 5 - 4.3-6.6 HA LEU 22 - HG3 GLN 27 far 0 69 0 - 4.5-17.6 HA ALA 28 - HG3 GLN 27 far 0 96 0 - 4.6-7.1 HA LYS 31 - HG3 GLN 27 far 0 57 0 - 4.9-11.8 HA GLU 30 - HG3 GLN 27 far 0 59 0 - 5.1-11.3 HA LEU 22 - HG2 GLN 27 far 0 70 0 - 5.3-16.1 HA GLU 30 - HG2 GLN 27 far 0 60 0 - 6.0-10.2 HA LYS 31 - HG2 GLN 27 far 0 57 0 - 6.2-10.7 HA SER 51 - HG2 GLN 127 far 0 71 0 - 7.0-10.4 HA LYS 19 - HG3 GLN 27 far 0 54 0 - 7.1-19.2 HA LYS 19 - HG2 GLN 27 far 0 55 0 - 7.8-20.1 HA ALA 34 - HG2 GLN 27 far 0 57 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 11672 from aliabs.peaks (4.23, 2.48, 33.53 ppm; 5.02 A increased from 4.22 A): 1 out of 2 assignments used, quality = 0.98: HA SER 124 + HG3 GLN 127 OK 98 98 100 99 1.8-4.9 4049/3.0=78, 3966/3.0=67...(9) HA SER 51 - HG3 GLN 127 far 0 89 0 - 6.7-9.4 Violated in 0 structures by 0.00 A. Peak 11673 from aliabs.peaks (3.84, 2.48, 33.53 ppm; 4.65 A): 2 out of 3 assignments used, quality = 0.99: HA LEU 123 + HG3 GLN 127 OK 95 98 100 97 3.9-4.5 4.0/10437=67...(9) HB2 SER 50 + HG3 GLN 127 OK 82 87 100 95 1.9-4.6 3953/10437=38...(14) HB2 SER 130 - HG3 GLN 127 far 0 76 0 - 6.3-9.4 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 8 assignments used, quality = 1.00: QD1 LEU 123 + HB3 GLN 127 OK 100 100 100 100 1.8-2.4 10436/1.8=89...(15) QG1 VAL 105 + HB2 GLN 101 OK 33 34 100 97 3.3-4.4 ~11501=45, ~10054=45...(11) QD1 LEU 49 - HB3 GLN 127 far 0 96 0 - 6.2-7.4 QG2 VAL 63 - HB2 GLN 101 far 0 58 0 - 7.5-8.1 QD1 LEU 62 - HB3 GLN 127 far 0 97 0 - 8.5-9.8 QD2 LEU 48 - HB3 GLN 127 far 0 60 0 - 9.3-11.4 QG1 VAL 20 - HB2 GLN 101 far 0 56 0 - 9.8-32.3 QD1 LEU 48 - HB3 GLN 127 far 0 92 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 11675 from aliabs.peaks (0.95, 3.97, 58.71 ppm; 4.29 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 126 + HA GLN 127 OK 99 99 100 100 3.2-3.5 10394=81, 4020/2.9=65...(20) QD1 LEU 123 + HA GLN 127 OK 74 76 100 97 3.9-4.1 11579/4060=40...(15) QG2 VAL 126 - HA GLN 127 far 0 93 0 - 5.4-5.4 QD2 LEU 53 - HA GLN 127 far 0 87 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 11676 from aliabs.peaks (0.81, 0.96, 22.63 ppm; 3.12 A increased from 2.93 A): 1 out of 10 assignments used, quality = 0.87: QD2 LEU 49 + QG1 VAL 126 OK 87 96 100 91 2.7-3.1 11681/2.1=53...(13) QD1 LEU 53 - QG1 VAL 126 poor 18 90 50 40 3.5-5.1 6621/11785=13...(9) QD1 LEU 122 - QG1 VAL 126 far 0 100 0 - 4.0-5.7 QG2 ILE 129 - QG1 VAL 126 far 0 92 0 - 4.5-5.0 QD2 LEU 122 - QG1 VAL 126 far 0 76 0 - 5.3-6.6 QG1 VAL 133 - QG1 VAL 126 far 0 57 0 - 7.2-8.1 QD1 LEU 70 - QG1 VAL 126 far 0 100 0 - 7.5-8.0 QG1 VAL 63 - QG1 VAL 126 far 0 65 0 - 8.5-9.0 QD2 LEU 119 - QG1 VAL 126 far 0 83 0 - 8.6-9.1 QD1 LEU 103 - QG1 VAL 126 far 0 63 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 11677 from aliabs.peaks (1.59, 0.96, 24.06 ppm; 3.53 A): 2 out of 6 assignments used, quality = 0.97: HG LEU 49 + QG2 VAL 126 OK 86 89 100 97 3.8-4.1 2.1/11681=62...(10) HB2 LEU 122 + QG2 VAL 126 OK 78 85 100 92 2.0-2.8 3.0/10397=46...(14) HG LEU 122 - QG2 VAL 126 far 14 92 15 - 3.8-5.2 HG LEU 70 - QG2 VAL 126 far 0 78 0 - 6.4-7.2 HG LEU 123 - QG2 VAL 126 far 0 76 0 - 6.5-7.1 HB2 LEU 103 - QG2 VAL 126 far 0 96 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 11678 from aliabs.peaks (1.77, 0.96, 24.06 ppm; 3.93 A): 2 out of 6 assignments used, quality = 0.89: HB3 LEU 122 + QG2 VAL 126 OK 75 81 100 93 3.2-4.3 3.0/10397=57...(14) HG13 ILE 129 + QG2 VAL 126 OK 57 71 80 100 3.1-5.9 2.1/11692=72, ~10410=37...(31) HG LEU 100 - QG2 VAL 126 far 0 100 0 - 4.6-5.3 HB2 LEU 48 - QG2 VAL 126 far 0 97 0 - 6.7-7.3 HB3 LEU 103 - QG2 VAL 126 far 0 73 0 - 8.0-8.7 HB3 LEU 98 - QG2 VAL 126 far 0 93 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 11679 from aliabs.peaks (1.94, 0.96, 24.06 ppm; 3.99 A): 1 out of 4 assignments used, quality = 0.63: HB3 LEU 49 + QG2 VAL 126 OK 63 65 100 97 2.9-3.6 3.2/11681=57...(14) HG LEU 53 - QG2 VAL 126 far 0 99 0 - 5.4-6.9 HB2 LYS 95 - QG2 VAL 126 far 0 100 0 - 6.5-7.2 HB3 LYS 95 - QG2 VAL 126 far 0 100 0 - 6.6-8.1 Violated in 0 structures by 0.00 A. Peak 11680 from aliabs.peaks (1.33, 0.96, 24.06 ppm; 4.32 A increased from 3.84 A): 1 out of 1 assignment used, quality = 0.99: QB ALA 46 + QG2 VAL 126 OK 99 99 100 100 4.1-4.3 9175/2.1=97, 9187/3.2=55...(11) Violated in 2 structures by 0.00 A. Peak 11681 from aliabs.peaks (0.80, 0.96, 24.06 ppm; 2.68 A): 2 out of 9 assignments used, quality = 0.88: QD2 LEU 49 + QG2 VAL 126 OK 82 99 100 83 1.8-1.9 11676/2.1=39...(12) QD1 LEU 122 + QG2 VAL 126 OK 32 100 60 53 2.4-3.7 3.8/10397=20...(9) QD2 LEU 122 - QG2 VAL 126 far 9 87 10 - 3.1-4.8 QD1 LEU 53 - QG2 VAL 126 far 0 97 0 - 3.4-5.1 QG2 ILE 129 - QG2 VAL 126 far 0 83 0 - 4.7-5.1 QD1 LEU 70 - QG2 VAL 126 far 0 99 0 - 5.9-6.4 QG1 VAL 63 - QG2 VAL 126 far 0 78 0 - 7.0-7.5 QD1 LEU 103 - QG2 VAL 126 far 0 76 0 - 7.5-8.0 QD2 LEU 119 - QG2 VAL 126 far 0 92 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 11682 from aliabs.peaks (1.56, 0.96, 22.63 ppm; 4.10 A increased from 3.86 A): 1 out of 4 assignments used, quality = 0.94: HG LEU 49 + QG1 VAL 126 OK 94 96 100 99 3.9-4.2 2.1/11676=76, ~11681=44...(12) HG LEU 123 - QG1 VAL 126 far 0 99 0 - 6.5-6.8 HB3 LEU 42 - QG1 VAL 126 far 0 90 0 - 7.8-8.4 HB2 LEU 119 - QG1 VAL 126 far 0 92 0 - 9.1-9.7 Violated in 1 structures by 0.00 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 3.2-3.9 1.8/10381=77, 10386=75...(20) Violated in 0 structures by 0.00 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 3.4-4.2 10381=100, 1.8/11683=81...(21) HB2 CYS 73 - QG2 VAL 126 far 0 97 0 - 6.2-6.9 HB2 ASP 47 - QG2 VAL 126 far 0 97 0 - 8.1-8.5 HB2 ASP 64 - QG2 VAL 126 far 0 73 0 - 9.1-10.4 Violated in 0 structures by 0.00 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: HB2 HIS 6 - QG1 VAL 126 far 0 100 0 - 7.6-48.1 HB3 TYR 76 - QG1 VAL 126 far 0 83 0 - 9.4-10.0 Violated in 20 structures by 3.43 A. Peak 11686 from aliabs.peaks (2.84, 0.96, 22.63 ppm; 6.14 A increased from 5.46 A): 1 out of 2 assignments used, quality = 0.99: HB3 ASP 47 + QG1 VAL 126 OK 99 99 100 100 5.7-6.0 10954/10409=88...(5) HB3 ASP 131 - QG1 VAL 126 far 0 81 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 11687 from aliabs.peaks (2.70, 0.96, 22.63 ppm; 6.26 A increased from 5.56 A): 1 out of 1 assignment used, quality = 0.80: HB2 ASP 47 + QG1 VAL 126 OK 80 81 100 100 5.7-6.2 1.8/11686=86...(5) Violated in 0 structures by 0.00 A. Peak 11688 from aliabs.peaks (4.34, 0.96, 24.06 ppm; 5.22 A increased from 4.91 A): 2 out of 4 assignments used, quality = 0.98: HA CYS 125 + QG2 VAL 126 OK 97 97 100 100 5.0-5.3 3.6/4021=90...(19) HA LEU 69 + QG2 VAL 126 OK 49 100 100 49 4.8-5.4 10395/2.1=15...(5) HA ASP 47 - QG2 VAL 126 far 0 99 0 - 6.5-6.8 HA ASN 59 - QG2 VAL 126 far 0 97 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 11689 from aliabs.peaks (4.07, 0.96, 24.06 ppm; 4.33 A increased from 3.84 A): 1 out of 8 assignments used, quality = 0.72: HA LEU 96 + QG2 VAL 126 OK 72 87 100 83 3.9-4.3 3988/10381=23...(14) HB THR 65 - QG2 VAL 126 far 0 99 0 - 5.2-5.7 HA ALA 92 - QG2 VAL 126 far 0 89 0 - 7.0-8.0 HA LEU 48 - QG2 VAL 126 far 0 60 0 - 7.6-7.9 HA PHE 89 - QG2 VAL 126 far 0 93 0 - 8.4-8.8 HA GLU 44 - QG2 VAL 126 far 0 57 0 - 9.2-9.6 HB3 SER 74 - QG2 VAL 126 far 0 96 0 - 9.4-11.4 HB2 SER 74 - QG2 VAL 126 far 0 90 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 11690 from aliabs.peaks (1.36, 2.11, 31.38 ppm; 5.12 A): 2 out of 2 assignments used, quality = 0.97: HB2 LEU 96 + HB VAL 126 OK 88 89 100 99 4.5-5.1 ~11689=54, ~10397=54...(15) QB ALA 46 + HB VAL 126 OK 73 73 100 100 4.8-5.1 10409/2.1=78...(13) Violated in 0 structures by 0.00 A. Peak 11691 from aliabs.peaks (1.98, 0.96, 22.63 ppm; 4.16 A increased from 3.91 A): 1 out of 2 assignments used, quality = 0.73: HB ILE 129 + QG1 VAL 126 OK 73 73 100 100 3.6-4.2 3.2/10410=52...(30) HB3 LEU 53 - QG1 VAL 126 far 0 92 0 - 5.9-8.3 Violated in 2 structures by 0.00 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 3.1-3.7 10489=74, 11639/3.2=58...(33) QD1 LEU 42 - QG2 VAL 126 far 0 95 0 - 5.9-6.6 Violated in 0 structures by 0.00 A. Peak 11693 from aliabs.peaks (1.43, 4.19, 59.09 ppm; 5.34 A increased from 4.74 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 92 + HA GLU 128 OK 100 100 100 100 4.7-5.1 10444/3.0=88...(12) Violated in 0 structures by 0.00 A. Peak 11694 from aliabs.peaks (1.14, 2.08, 28.58 ppm; 5.10 A increased from 4.54 A): 1 out of 10 assignments used, quality = 1.00: QG2 VAL 132 + HB2 GLU 128 OK 100 100 100 100 4.5-5.2 11627/3.0=90...(11) QG1 VAL 132 - HB3 GLN 82 poor 16 66 25 - 5.6-7.4 HB3 LEU 62 - HB2 GLN 61 far 0 66 0 - 6.2-7.4 QG1 VAL 132 - HB2 GLU 128 far 0 99 0 - 6.9-7.6 HG2 LYS 39 - HB3 GLN 82 far 0 68 0 - 7.6-13.2 HG2 LYS 39 - HB3 GLU 44 far 0 74 0 - 7.7-10.6 QG2 VAL 132 - HB3 GLN 82 far 0 67 0 - 7.9-9.9 HG3 LYS 39 - HB3 GLU 44 far 0 43 0 - 8.3-9.8 HG3 LYS 39 - HB3 GLN 82 far 0 39 0 - 8.5-12.5 QG2 THR 115 - HB2 GLU 102 far 0 99 0 - 8.9-11.7 Violated in 2 structures by 0.00 A. Peak 11695 from aliabs.peaks (0.99, 2.08, 28.58 ppm; 4.05 A): 2 out of 10 assignments used, quality = 0.97: QG2 VAL 105 + HB2 GLU 102 OK 86 86 100 100 3.4-4.2 11508/3.0=70, 11456=62...(14) QG2 VAL 118 + HB2 GLU 102 OK 80 94 85 100 1.9-4.7 11545/1.8=70...(13) QG2 VAL 126 - HB2 GLU 128 far 0 63 0 - 6.1-6.6 QD1 LEU 69 - HB3 GLU 44 far 0 58 0 - 6.4-7.7 QD1 LEU 69 - HB2 GLU 128 far 0 87 0 - 7.5-8.2 QD2 LEU 53 - HB2 GLN 61 far 0 44 0 - 7.7-9.3 QD2 LEU 53 - HB2 GLU 102 far 0 73 0 - 8.6-12.2 QD2 LEU 53 - HB2 GLU 128 far 0 73 0 - 9.6-10.8 QG2 VAL 126 - HB3 GLU 44 far 0 39 0 - 9.7-10.9 QG2 VAL 126 - HB2 GLU 102 far 0 62 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 11696 from aliabs.peaks (0.77, 2.08, 28.58 ppm; 4.33 A): 1 out of 21 assignments used, quality = 0.72: HG12 ILE 129 + HB2 GLU 128 OK 72 83 95 91 3.6-5.5 4.8/7864=44...(11) QD2 LEU 122 - HB2 GLU 102 far 4 82 5 - 4.8-7.5 QD1 LEU 103 - HB2 GLU 102 far 0 91 0 - 5.3-7.0 QD2 LEU 96 - HB2 GLU 128 far 0 89 0 - 6.1-7.0 QD2 LEU 43 - HB3 GLU 44 far 0 51 0 - 6.3-6.7 QD2 LEU 119 - HB2 GLN 61 far 0 45 0 - 6.9-8.0 QD1 LEU 96 - HB2 GLU 128 far 0 99 0 - 7.1-7.9 QG1 VAL 63 - HB2 GLU 102 far 0 90 0 - 7.5-9.0 QG1 VAL 63 - HB2 GLN 61 far 0 57 0 - 7.5-8.0 QD1 LEU 53 - HB2 GLN 61 far 0 38 0 - 7.6-10.0 QD1 LEU 53 - HB2 GLU 128 far 0 65 0 - 7.8-10.4 QD1 LEU 103 - HB2 GLN 61 far 0 58 0 - 7.8-9.4 QD2 LEU 122 - HB2 GLU 128 far 0 83 0 - 7.9-10.0 QG1 VAL 93 - HB2 GLU 128 far 0 90 0 - 8.0-8.9 QD2 LEU 119 - HB2 GLU 102 far 0 75 0 - 8.1-10.9 QD1 LEU 96 - HB2 GLU 102 far 0 99 0 - 8.2-10.3 QD2 LEU 43 - HB2 GLU 128 far 0 78 0 - 8.3-8.9 QD1 ILE 37 - HB3 GLU 44 far 0 74 0 - 8.3-9.8 QD2 LEU 43 - HB3 GLN 82 far 0 46 0 - 9.0-11.8 QD2 LEU 122 - HB2 GLN 61 far 0 51 0 - 9.3-12.4 QD1 LEU 53 - HB2 GLU 102 far 0 65 0 - 9.6-13.3 Violated in 3 structures by 0.07 A. Peak 11697 from aliabs.peaks (1.14, 2.42, 34.22 ppm; 3.60 A): 1 out of 2 assignments used, quality = 0.97: QG2 VAL 132 + HG3 GLU 128 OK 97 100 100 97 2.4-3.7 9947/10447=44...(14) QG1 VAL 132 - HG3 GLU 128 far 0 95 0 - 4.6-6.2 Violated in 2 structures by 0.01 A. Peak 11698 from aliabs.peaks (4.36, 2.42, 34.22 ppm; 4.80 A increased from 4.27 A): 1 out of 3 assignments used, quality = 1.00: HA CYS 125 + HG3 GLU 128 OK 100 100 100 100 3.7-4.9 11648=95, 3986/3.0=83...(15) HA SER 9 - HG3 GLU 128 far 0 81 0 - 6.6-49.6 HA CYS 73 - HG3 GLU 128 far 0 87 0 - 8.8-10.7 Violated in 3 structures by 0.01 A. Peak 11699 from aliabs.peaks (8.22, 2.42, 34.22 ppm; 6.79 A increased from 5.72 A): 1 out of 1 assignment used, quality = 0.60: H GLN 127 + HG3 GLU 128 OK 60 60 100 100 5.3-6.6 3.2/7854=99...(10) Violated in 0 structures by 0.00 A. Peak 11700 from aliabs.peaks (8.50, 2.42, 34.22 ppm; 5.42 A): 0 out of 1 assignment used, quality = 0.00: H GLU 97 - HG3 GLU 128 far 0 99 0 - 8.8-11.4 Violated in 20 structures by 4.76 A. Peak 11701 from aliabs.peaks (8.29, 2.34, 34.22 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.99: H ASP 131 + HG2 GLU 128 OK 90 90 100 100 4.4-6.7 3.3/11702=87...(10) H VAL 126 + HG2 GLU 128 OK 85 98 90 97 6.0-7.6 3.6/11629=75...(6) H LEU 96 + HG2 GLU 128 OK 36 95 45 84 6.9-9.1 3.1/9976=74...(4) H LEU 123 - HG2 GLU 128 far 0 81 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 11702 from aliabs.peaks (8.48, 2.34, 34.22 ppm; 5.76 A increased from 5.42 A): 1 out of 2 assignments used, quality = 0.95: H VAL 132 + HG2 GLU 128 OK 95 97 100 99 3.7-6.0 11630/1.8=70...(9) H GLU 97 - HG2 GLU 128 far 0 95 0 - 9.3-11.4 Violated in 2 structures by 0.01 A. Peak 11703 from aliabs.peaks (3.44, 0.82, 16.85 ppm; 3.65 A): 3 out of 5 assignments used, quality = 0.99: HA ILE 129 + QG2 ILE 129 OK 87 87 100 100 2.0-2.4 3.2=100 HA VAL 126 + QG2 ILE 129 OK 70 100 70 100 4.0-4.4 10402/4163=55...(29) HA VAL 77 + QG2 ILE 80 OK 69 77 90 100 3.9-4.4 9725/3.1=60, 9728/3.2=30...(42) HA VAL 77 - QG2 ILE 129 far 0 93 0 - 5.6-5.9 HA ILE 129 - QG2 ILE 80 far 0 70 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 11704 from aliabs.peaks (4.04, 0.82, 16.85 ppm; 4.73 A): 1 out of 15 assignments used, quality = 0.85: HD3 PRO 81 + QG2 ILE 80 OK 85 85 100 100 3.3-4.1 4.0=100 HA ALA 92 - QG2 ILE 129 far 0 97 0 - 5.5-6.5 HA ILE 37 - QG2 ILE 32 far 0 35 0 - 7.2-7.9 HA LEU 96 - QG2 ILE 129 far 0 97 0 - 7.3-7.8 HB2 SER 74 - QG2 ILE 129 far 0 96 0 - 7.3-8.2 HB3 SER 74 - QG2 ILE 129 far 0 90 0 - 7.3-8.4 HA ARG 135 - QG2 ILE 80 far 0 53 0 - 7.7-8.9 HA LEU 122 - QG2 ILE 129 far 0 100 0 - 7.8-8.4 HD3 PRO 81 - QG2 ILE 129 far 0 99 0 - 8.3-9.3 HB3 SER 74 - QG2 ILE 32 far 0 45 0 - 8.7-11.4 HA LYS 95 - QG2 ILE 129 far 0 85 0 - 8.7-9.4 HA ARG 135 - QG2 ILE 129 far 0 68 0 - 9.0-10.1 HA GLU 44 - QG2 ILE 129 far 0 100 0 - 9.2-10.3 HB2 SER 74 - QG2 ILE 32 far 0 49 0 - 9.4-11.9 HA ILE 37 - QG2 ILE 129 far 0 76 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 11705 from aliabs.peaks (8.14, 0.82, 16.85 ppm; 4.57 A): 2 out of 6 assignments used, quality = 1.00: H VAL 133 + QG2 ILE 129 OK 99 100 100 99 4.2-5.1 11894/10486=55...(17) H ILE 32 + QG2 ILE 32 OK 55 55 100 100 3.7-3.8 4.0=100 H GLU 91 - QG2 ILE 129 far 0 92 0 - 5.6-6.8 H VAL 133 - QG2 ILE 80 far 0 87 0 - 6.4-7.1 H ASP 71 - QG2 ILE 129 far 0 100 0 - 7.7-8.5 H GLU 91 - QG2 ILE 80 far 0 76 0 - 7.9-8.6 Violated in 0 structures by 0.00 A. Peak 11706 from aliabs.peaks (7.33, 0.65, 14.48 ppm; 5.86 A): 2 out of 3 assignments used, quality = 0.75: HZ PHE 89 + QD1 ILE 129 OK 68 68 100 100 4.6-5.3 2.2/10456=97, ~10457=74...(12) HE ARG 90 + QD1 ILE 129 OK 21 99 35 59 5.3-9.2 5.6/10467=32...(4) QD PHE 87 - QD1 ILE 129 far 0 93 0 - 8.6-10.1 Violated in 0 structures by 0.00 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 4.2-5.0 2.2/10456=88...(19) Violated in 0 structures by 0.00 A. Peak 11708 from aliabs.peaks (7.09, 0.82, 16.85 ppm; 4.56 A): 2 out of 2 assignments used, quality = 0.96: QD PHE 89 + QG2 ILE 129 OK 89 89 100 100 2.5-3.1 2.2/10457=89...(33) QD PHE 89 + QG2 ILE 80 OK 68 72 95 100 4.6-5.2 9747/3.1=51, ~9749=42...(29) Violated in 0 structures by 0.00 A. Peak 11709 from aliabs.peaks (3.89, 0.65, 14.48 ppm; 4.55 A): 0 out of 6 assignments used, quality = 0.00: HA LEU 70 - QD1 ILE 129 far 5 100 5 - 5.0-5.9 HA ALA 46 - QD1 ILE 129 far 0 99 0 - 5.6-6.2 HB2 SER 94 - QD1 ILE 129 far 0 95 0 - 6.3-6.9 HA LYS 86 - QD1 ILE 129 far 0 100 0 - 7.5-8.6 HB3 SER 50 - QD1 ILE 129 far 0 99 0 - 8.0-9.8 HA3 GLY 75 - QD1 ILE 129 far 0 99 0 - 9.5-10.4 Violated in 19 structures by 0.35 A. Peak 11710 from aliabs.peaks (4.23, 0.65, 14.48 ppm; 6.50 A increased from 5.20 A): 3 out of 5 assignments used, quality = 1.00: HA SER 94 + QD1 ILE 129 OK 99 99 100 100 5.9-6.3 4.9/10461=88...(10) HA SER 124 + QD1 ILE 129 OK 66 95 75 94 6.7-7.7 4.9/10469=77...(5) HA ALA 88 + QD1 ILE 129 OK 42 71 70 84 6.6-7.6 7246/10455=37...(5) HA HIS 67 - QD1 ILE 129 far 0 76 0 - 8.0-9.0 HA SER 99 - QD1 ILE 129 far 0 99 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 11711 from aliabs.peaks (1.33, 0.65, 14.48 ppm; 3.81 A): 0 out of 2 assignments used, quality = 0.00: QB ALA 46 - QD1 ILE 129 far 0 99 0 - 4.5-4.9 QB ALA 12 - QD1 ILE 129 far 0 68 0 - 8.1-26.8 Violated in 20 structures by 0.90 A. Peak 11712 from aliabs.peaks (1.66, 0.65, 14.48 ppm; 4.84 A increased from 4.07 A): 1 out of 7 assignments used, quality = 0.99: HB2 LEU 69 + QD1 ILE 129 OK 99 99 100 100 3.9-4.9 3.2/11038=68...(15) HD2 LYS 95 - QD1 ILE 129 far 15 100 15 - 5.1-7.9 QB ALA 88 - QD1 ILE 129 far 0 99 0 - 5.6-6.6 HD3 LYS 95 - QD1 ILE 129 far 0 100 0 - 5.7-7.7 HB2 LEU 98 - QD1 ILE 129 far 0 97 0 - 7.9-8.6 HB2 LEU 123 - QD1 ILE 129 far 0 99 0 - 8.1-9.1 HG LEU 43 - QD1 ILE 129 far 0 95 0 - 8.5-9.4 Violated in 1 structures by 0.00 A. Peak 11713 from aliabs.peaks (1.54, 0.65, 14.48 ppm; 4.90 A increased from 4.13 A): 1 out of 2 assignments used, quality = 0.80: HG LEU 69 + QD1 ILE 129 OK 80 81 100 100 4.3-4.9 2.1/11038=81...(14) HB3 LEU 42 - QD1 ILE 129 far 0 99 0 - 7.8-8.5 Violated in 2 structures by 0.00 A. Peak 11714 from aliabs.peaks (2.11, 0.65, 14.48 ppm; 4.69 A increased from 4.17 A): 2 out of 4 assignments used, quality = 0.96: HB VAL 126 + QD1 ILE 129 OK 90 100 90 100 4.6-5.3 2.1/11692=90...(31) HB2 GLU 128 + QD1 ILE 129 OK 59 60 100 99 3.6-4.9 4.5/7873=58...(14) HG3 GLU 91 - QD1 ILE 129 poor 17 87 20 - 5.2-8.2 HB2 GLU 97 - QD1 ILE 129 far 0 73 0 - 6.3-7.9 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 2.1-2.9 10402=73, 3.2/11692=53...(22) HA LYS 39 - QD1 ILE 129 far 0 87 0 - 9.5-10.2 HB3 HIS 67 - QD1 ILE 129 far 0 98 0 - 10.0-11.0 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 2.2-4.7 10388=100, 1.8/10383=84...(18) HB2 HIS 10 - QD1 ILE 129 far 0 63 0 - 7.3-36.2 HB3 HIS 8 - QD1 ILE 129 far 0 93 0 - 8.8-40.4 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 3.2-4.1 9967/2.1=100...(27) QD1 ILE 80 - HG12 ILE 129 far 0 76 0 - 6.7-8.1 Violated in 0 structures by 0.00 A. Peak 11718 from aliabs.peaks (1.34, 3.82, 62.38 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.98: QB ALA 46 + HB2 SER 130 OK 98 100 100 98 1.9-3.9 10508/1.8=74...(12) QB ALA 46 - HB2 SER 50 far 15 97 15 - 4.8-6.3 Violated in 0 structures by 0.00 A. Peak 11719 from aliabs.peaks (0.94, 3.82, 62.38 ppm; 4.27 A): 3 out of 14 assignments used, quality = 0.99: QD1 LEU 123 + HB2 SER 50 OK 92 93 100 100 2.0-3.8 11874/3.0=76...(29) QG1 VAL 126 + HB2 SER 50 OK 75 78 100 96 3.0-4.8 11785/3.9=43, ~11668=32...(16) QG1 VAL 126 + HB2 SER 130 OK 42 83 60 85 3.5-6.2 10409/11718=47...(10) QD1 LEU 49 - HB2 SER 50 far 0 69 0 - 5.1-6.1 QG2 VAL 126 - HB2 SER 50 far 0 64 0 - 5.4-6.8 QG2 VAL 126 - HB2 SER 130 far 0 68 0 - 5.6-8.4 QD1 LEU 49 - HB2 SER 130 far 0 73 0 - 6.2-8.6 QD2 LEU 53 - HB2 SER 50 far 0 53 0 - 6.3-6.9 QD1 LEU 123 - HB2 SER 130 far 0 97 0 - 6.5-8.5 QD1 LEU 48 - HB2 SER 50 far 0 61 0 - 7.7-9.0 QD1 LEU 62 - HB2 SER 50 far 0 71 0 - 7.9-8.7 QD1 LEU 48 - HB2 SER 130 far 0 65 0 - 8.4-10.8 QG2 ILE 37 - HB2 SER 130 far 0 100 0 - 8.6-10.0 QD2 LEU 53 - HB2 SER 130 far 0 57 0 - 9.8-13.1 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 10 assignments used, quality = 0.95: QD2 LEU 43 + HB2 SER 130 OK 95 96 100 100 1.8-3.7 10509/1.8=71...(24) HG12 ILE 129 - HB2 SER 130 far 0 97 0 - 5.8-7.1 QD2 LEU 96 - HB2 SER 130 far 0 99 0 - 6.7-9.1 HG12 ILE 129 - HB2 SER 50 far 0 93 0 - 7.0-10.3 QD2 LEU 43 - HB2 SER 50 far 0 91 0 - 7.2-8.7 QD1 LEU 96 - HB2 SER 50 far 0 84 0 - 7.4-9.0 QD1 LEU 96 - HB2 SER 130 far 0 89 0 - 7.7-10.4 QD2 LEU 96 - HB2 SER 50 far 0 96 0 - 7.7-10.6 QG1 VAL 93 - HB2 SER 130 far 0 99 0 - 9.1-10.8 QD2 LEU 103 - HB2 SER 50 far 0 71 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 11721 from aliabs.peaks (1.15, 4.31, 56.71 ppm; 4.78 A): 1 out of 4 assignments used, quality = 0.99: QG2 VAL 132 + HA ASP 131 OK 99 99 100 100 4.7-4.8 10518/3.0=76...(20) QG1 VAL 132 - HA ASP 131 far 0 85 0 - 6.1-6.1 HG3 LYS 39 - HA ASP 131 far 0 93 0 - 7.3-8.6 HG2 LYS 39 - HA ASP 131 far 0 96 0 - 7.6-10.2 Violated in 1 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 4.4-4.4 4.5=100 QD TYR 76 + HB2 TYR 76 OK 91 91 100 100 2.3-2.5 2.6=100 QE TYR 76 - HB2 ASP 131 far 0 97 0 - 9.9-10.8 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 3 assignments used, quality = 0.99: H VAL 133 + HB2 ASP 131 OK 99 99 100 100 5.1-5.3 3.3/7914=91...(13) H VAL 133 - HB2 TYR 76 far 0 98 0 - 8.0-9.2 H ASP 71 - HB2 TYR 76 far 0 92 0 - 8.5-8.8 Violated in 0 structures by 0.00 A. Peak 11725 from aliabs.peaks (3.48, 4.31, 56.71 ppm; 5.29 A): 1 out of 2 assignments used, quality = 0.89: HA VAL 132 + HA ASP 131 OK 89 89 100 100 4.8-4.9 4.9=100 HA ILE 129 - HA ASP 131 far 0 65 0 - 6.4-6.8 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 5.3-5.5 3.0/7914=97, 10528=92...(15) HA LEU 42 + HB2 TYR 76 OK 41 80 55 93 5.5-6.5 4.1/9617=70, 3.9/9098=52...(5) Violated in 0 structures by 0.00 A. Peak 11727 from aliabs.peaks (3.79, 2.77, 40.78 ppm; 6.35 A): 3 out of 13 assignments used, quality = 0.99: HA SER 130 + HB2 ASP 131 OK 89 89 100 100 5.6-5.7 3.6/7903=100, ~11646=66...(11) HB3 SER 130 + HB2 ASP 131 OK 86 87 100 100 4.1-5.1 4.6/7903=93...(12) HB2 SER 130 + HB2 ASP 131 OK 57 57 100 99 4.8-6.1 4.6/7903=93, ~10520=37...(8) HA VAL 133 - HB2 TYR 76 far 4 76 5 - 6.7-8.1 HA SER 130 - HB2 TYR 76 far 0 86 0 - 7.6-8.8 HA ARG 90 - HB2 TYR 76 far 0 96 0 - 7.6-10.2 HA VAL 133 - HB2 ASP 131 far 0 78 0 - 8.0-8.1 HA LEU 43 - HB2 TYR 76 far 0 92 0 - 8.0-8.5 HA LEU 43 - HB2 ASP 131 far 0 95 0 - 8.2-8.9 HB2 SER 9 - HB2 ASP 131 far 0 76 0 - 8.5-53.7 HB3 SER 9 - HB2 ASP 131 far 0 97 0 - 8.9-52.0 HB2 SER 130 - HB2 TYR 76 far 0 55 0 - 9.0-11.1 HB3 SER 130 - HB2 TYR 76 far 0 84 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 11728 from aliabs.peaks (3.79, 4.31, 56.71 ppm; 5.06 A increased from 4.50 A): 3 out of 5 assignments used, quality = 0.99: HA SER 130 + HA ASP 131 OK 89 89 100 100 4.8-4.9 4.9=100 HB3 SER 130 + HA ASP 131 OK 85 87 100 97 3.9-5.1 ~4180=59, 7899/2.9=41...(13) HB2 SER 130 + HA ASP 131 OK 51 57 100 89 4.0-5.6 4180/2.9=35, ~7901=31...(11) HA VAL 133 - HA ASP 131 far 0 78 0 - 6.2-6.6 HA LEU 43 - HA ASP 131 far 0 95 0 - 7.1-8.1 Violated in 0 structures by 0.00 A. Peak 11729 from aliabs.peaks (2.34, 2.77, 40.78 ppm; 5.17 A): 1 out of 6 assignments used, quality = 0.94: HB VAL 77 + HB2 TYR 76 OK 94 99 95 100 4.3-6.0 7042/7037=78, ~11169=57...(19) HG2 GLU 128 - HB2 ASP 131 far 15 100 15 - 4.2-6.5 HG2 GLN 127 - HB2 ASP 131 far 15 100 15 - 5.6-7.3 HB3 GLN 134 - HB2 ASP 131 far 14 93 15 - 5.5-7.6 HG2 GLU 44 - HB2 TYR 76 far 0 63 0 - 8.9-12.2 HG3 GLN 68 - HB2 TYR 76 far 0 71 0 - 9.4-10.3 Violated in 1 structures by 0.04 A. Peak 11730 from aliabs.peaks (2.21, 2.77, 40.78 ppm; 5.38 A increased from 4.78 A): 1 out of 5 assignments used, quality = 0.89: HB3 GLU 128 + HB2 ASP 131 OK 89 89 100 100 4.4-5.2 3.0/4195=92, ~4086=71...(18) HB3 GLN 127 - HB2 ASP 131 far 0 99 0 - 6.4-7.3 HB VAL 133 - HB2 TYR 76 far 0 68 0 - 6.5-8.1 HB VAL 133 - HB2 ASP 131 far 0 71 0 - 6.6-7.1 HG2 GLN 68 - HB2 TYR 76 far 0 99 0 - 9.7-11.5 Violated in 0 structures by 0.00 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 0 100 0 - 9.4-10.8 Violated in 20 structures by 3.22 A. Peak 11732 from aliabs.peaks (2.23, 4.31, 56.71 ppm; 5.07 A): 0 out of 2 assignments used, quality = 0.00: HB3 GLU 128 - HA ASP 131 far 0 100 0 - 7.0-7.7 HB3 GLN 127 - HA ASP 131 far 0 100 0 - 8.6-9.3 Violated in 20 structures by 1.99 A. Peak 11734 from aliabs.peaks (7.40, 1.13, 22.78 ppm; 5.24 A increased from 4.66 A): 2 out of 2 assignments used, quality = 1.00: QE PHE 89 + QG1 VAL 132 OK 100 100 100 100 4.6-5.5 ~11650=65, ~11943=65...(21) QE PHE 89 + QG2 VAL 132 OK 72 72 100 100 4.6-5.4 ~11650=65, ~11943=65...(20) Violated in 0 structures by 0.00 A. Peak 11735 from aliabs.peaks (8.02, 1.14, 23.00 ppm; 4.58 A): 2 out of 7 assignments used, quality = 0.99: H ILE 129 + QG2 VAL 132 OK 93 93 100 100 3.7-4.3 3.6/10442=58...(18) H SER 130 + QG2 VAL 132 OK 84 87 100 97 4.1-4.9 3.6/10477=45...(13) H ILE 129 - QG1 VAL 132 far 0 62 0 - 6.2-6.8 H SER 130 - QG1 VAL 132 far 0 56 0 - 6.6-7.1 H SER 94 - QG2 VAL 132 far 0 73 0 - 7.3-8.0 H SER 94 - QG1 VAL 132 far 0 46 0 - 8.0-8.9 H CYS 125 - QG2 VAL 132 far 0 73 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 11736 from aliabs.peaks (0.83, 1.14, 23.00 ppm; 3.79 A increased from 3.20 A): 2 out of 11 assignments used, quality = 1.00: QG2 ILE 129 + QG2 VAL 132 OK 100 100 100 100 3.1-3.9 11747/2.1=50...(28) QG2 ILE 80 + QG1 VAL 132 OK 55 66 85 98 3.8-4.6 3.1/11738=61...(28) QG2 ILE 129 - QG1 VAL 132 far 0 72 0 - 4.4-5.0 HG13 ILE 80 - QG1 VAL 132 far 0 62 0 - 4.8-6.0 QG1 VAL 133 - QG1 VAL 132 far 0 64 0 - 5.4-5.8 QG1 VAL 133 - QG2 VAL 132 far 0 95 0 - 5.7-6.0 QG2 ILE 80 - QG2 VAL 132 far 0 97 0 - 5.9-6.6 HG13 ILE 80 - QG2 VAL 132 far 0 93 0 - 6.6-7.2 QD1 LEU 122 - QG2 VAL 132 far 0 83 0 - 9.2-11.3 QD1 LEU 70 - QG2 VAL 132 far 0 93 0 - 9.3-10.3 QD2 LEU 49 - QG2 VAL 132 far 0 60 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 11737 from aliabs.peaks (0.64, 1.14, 23.00 ppm; 4.83 A increased from 4.07 A): 1 out of 4 assignments used, quality = 1.00: QD1 ILE 129 + QG2 VAL 132 OK 100 100 100 100 3.8-4.8 10490=99, 10491/9947=80...(23) QD1 ILE 129 - QG1 VAL 132 far 4 71 5 - 5.4-6.6 QD1 LEU 42 - QG2 VAL 132 far 0 96 0 - 6.4-7.1 QD1 LEU 42 - QG1 VAL 132 far 0 65 0 - 6.7-7.4 Violated in 1 structures by 0.00 A. Peak 11738 from aliabs.peaks (0.27, 1.14, 23.00 ppm; 3.48 A): 1 out of 4 assignments used, quality = 0.70: QD1 ILE 80 + QG1 VAL 132 OK 70 72 100 97 2.7-3.4 9722/2.1=44...(29) QD1 ILE 80 - QG2 VAL 132 far 0 100 0 - 4.4-4.9 QG2 VAL 93 - QG2 VAL 132 far 0 78 0 - 4.4-5.0 QG2 VAL 93 - QG1 VAL 132 far 0 49 0 - 5.3-6.0 Violated in 0 structures by 0.00 A. Peak 11739 from aliabs.peaks (0.27, 2.28, 31.42 ppm; 6.27 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HB VAL 132 OK 99 99 100 100 3.4-3.9 11656/2.1=100...(21) QG2 VAL 93 + HB VAL 132 OK 84 89 100 95 5.3-5.9 9924/11650=71...(6) Violated in 0 structures by 0.00 A. Peak 11740 from aliabs.peaks (0.27, 2.28, 31.59 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.99: QD1 ILE 80 + HB VAL 132 OK 94 94 100 100 3.4-3.9 11656/2.1=100...(21) QG2 VAL 93 + HB VAL 132 OK 78 81 100 96 5.3-5.9 9924/11650=73...(7) Violated in 0 structures by 0.00 A. Peak 11741 from aliabs.peaks (2.40, 1.13, 22.78 ppm; 4.44 A): 2 out of 4 assignments used, quality = 0.74: HG3 GLU 128 + QG2 VAL 132 OK 53 53 100 100 2.4-3.7 11627=75, 9949/9947=55...(12) HG3 GLU 128 + QG1 VAL 132 OK 44 83 60 89 4.6-6.2 11697/2.1=67, ~11694=35...(6) HG2 GLN 82 - QG1 VAL 132 far 6 60 10 - 4.7-7.2 HG2 GLN 82 - QG2 VAL 132 far 0 36 0 - 7.1-9.7 Violated in 0 structures by 0.00 A. Peak 11742 from aliabs.peaks (1.43, 1.13, 22.78 ppm; 4.01 A): 1 out of 4 assignments used, quality = 0.72: QB ALA 92 + QG2 VAL 132 OK 72 72 100 100 3.1-3.7 9947=96, 10447/11627=57...(20) QB ALA 92 - QG1 VAL 132 far 10 100 10 - 4.5-5.2 HG2 LYS 86 - QG1 VAL 132 far 0 90 0 - 5.5-6.8 HG2 LYS 86 - QG2 VAL 132 far 0 59 0 - 7.4-8.4 Violated in 0 structures by 0.00 A. Peak 11743 from aliabs.peaks (2.82, 1.13, 22.78 ppm; 4.00 A): 1 out of 4 assignments used, quality = 1.00: HB3 ASN 85 + QG1 VAL 132 OK 100 100 100 100 1.9-3.2 9794=65, 1.8/10535=50...(23) HB3 ASN 85 - QG2 VAL 132 far 7 72 10 - 4.4-5.8 HB2 ASN 13 - QG1 VAL 132 far 0 100 0 - 8.8-38.3 HB2 ASN 13 - QG2 VAL 132 far 0 72 0 - 9.2-38.9 Violated in 0 structures by 0.00 A. Peak 11744 from aliabs.peaks (3.25, 1.13, 22.78 ppm; 4.13 A): 2 out of 13 assignments used, quality = 0.98: HD3 ARG 135 + QG1 VAL 132 OK 97 97 100 100 2.4-4.4 2.9/11875=69...(35) HD3 ARG 135 + QG2 VAL 132 OK 56 66 85 100 3.3-5.7 10635/3.2=56, 10640=43...(33) HB3 PHE 87 - QG1 VAL 132 far 0 97 0 - 5.2-6.9 HB3 HIS 10 - QG2 VAL 132 far 0 72 0 - 5.3-37.7 HB2 PHE 87 - QG1 VAL 132 far 0 87 0 - 5.4-6.5 HB3 PHE 87 - QG2 VAL 132 far 0 66 0 - 6.4-8.2 HA VAL 93 - QG2 VAL 132 far 0 67 0 - 6.5-7.1 HB3 HIS 10 - QG1 VAL 132 far 0 100 0 - 6.9-39.1 HB2 PHE 87 - QG2 VAL 132 far 0 56 0 - 7.0-8.1 HA VAL 93 - QG1 VAL 132 far 0 97 0 - 8.0-8.5 HB2 HIS 5 - QG2 VAL 132 far 0 64 0 - 8.9-51.7 HB3 HIS 4 - QG2 VAL 132 far 0 64 0 - 9.5-55.6 HB2 HIS 5 - QG1 VAL 132 far 0 95 0 - 9.6-52.9 Violated in 1 structures by 0.00 A. Peak 11745 from aliabs.peaks (1.77, 1.13, 22.78 ppm; 4.09 A): 0 out of 6 assignments used, quality = 0.00: HG13 ILE 129 - QG2 VAL 132 poor 7 36 20 - 4.1-6.1 HB2 LYS 86 - QG1 VAL 132 far 0 81 0 - 5.6-6.2 HG13 ILE 129 - QG1 VAL 132 far 0 60 0 - 5.8-8.2 HB2 LYS 86 - QG2 VAL 132 far 0 51 0 - 7.7-8.2 HB2 LYS 39 - QG1 VAL 132 far 0 97 0 - 8.3-9.9 HB2 LYS 39 - QG2 VAL 132 far 0 66 0 - 8.9-10.7 Violated in 18 structures by 0.73 A. Peak 11746 from aliabs.peaks (2.79, 2.27, 31.65 ppm; 5.10 A increased from 4.53 A): 1 out of 6 assignments used, quality = 0.42: HB3 ASN 85 + HB VAL 132 OK 42 42 100 100 3.4-5.1 ~10535=48, ~10535=48...(17) HB2 ASP 131 - HB VAL 132 far 0 59 0 - 6.1-6.4 HB2 TYR 76 - HB VAL 132 far 0 51 0 - 8.0-9.2 HB2 ASN 13 - HB VAL 105 far 0 55 0 - 8.4-40.7 HB3 ASN 13 - HB VAL 105 far 0 72 0 - 9.0-39.7 HB3 ASN 120 - HB3 PRO 113 far 0 96 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 11747 from aliabs.peaks (0.83, 2.28, 31.42 ppm; 4.53 A): 1 out of 6 assignments used, quality = 0.97: QG2 ILE 129 + HB VAL 132 OK 97 97 100 100 3.5-4.3 3.2/4126=61...(19) QG1 VAL 133 - HB VAL 132 far 5 100 5 - 5.1-5.6 QG2 ILE 80 - HB VAL 132 far 0 85 0 - 5.3-6.2 HG13 ILE 80 - HB VAL 132 far 0 78 0 - 5.6-6.3 QG2 VAL 57 - HB3 PRO 113 far 0 57 0 - 6.4-8.8 QD1 LEU 98 - HB VAL 105 far 0 35 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 11748 from aliabs.peaks (3.90, 1.13, 22.78 ppm; 4.40 A increased from 4.14 A): 1 out of 6 assignments used, quality = 0.90: HA LYS 86 + QG1 VAL 132 OK 90 95 100 95 3.9-4.3 9727/11656=61...(11) HA LYS 86 - QG2 VAL 132 far 0 64 0 - 5.8-6.3 HA ALA 46 - QG2 VAL 132 far 0 69 0 - 8.5-9.4 HB2 SER 94 - QG2 VAL 132 far 0 72 0 - 8.8-9.9 HB2 SER 94 - QG1 VAL 132 far 0 100 0 - 9.2-10.5 HB3 SER 50 - QG2 VAL 132 far 0 51 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 11749 from aliabs.peaks (4.01, 1.13, 22.78 ppm; 4.54 A): 0 out of 7 assignments used, quality = 0.00: HA ARG 135 - QG1 VAL 132 far 0 100 0 - 5.3-6.2 HA ARG 135 - QG2 VAL 132 far 0 72 0 - 5.9-7.0 HD3 PRO 81 - QG1 VAL 132 far 0 78 0 - 6.4-8.3 HD3 PRO 81 - QG2 VAL 132 far 0 49 0 - 8.5-9.8 HB2 SER 124 - QG2 VAL 132 far 0 44 0 - 8.9-9.4 HA LEU 122 - QG2 VAL 132 far 0 44 0 - 9.9-10.5 HB3 SER 124 - QG2 VAL 132 far 0 72 0 - 9.9-10.5 Violated in 20 structures by 0.47 A. Peak 11750 from aliabs.peaks (3.78, 3.50, 66.53 ppm; 4.78 A): 1 out of 5 assignments used, quality = 0.96: HA VAL 133 + HA VAL 132 OK 96 96 100 100 4.7-4.8 10538/3.2=55...(24) HA SER 130 - HA VAL 132 far 0 99 0 - 6.6-6.9 HB3 SER 130 - HA VAL 132 far 0 99 0 - 7.6-8.2 HB3 SER 9 - HA VAL 132 far 0 83 0 - 9.3-52.2 HA LEU 43 - HA VAL 132 far 0 100 0 - 9.8-10.4 Violated in 0 structures by 0.00 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 4.2-5.4 3.0/10624=93, 10637=89...(13) HD3 PRO 81 - HA VAL 132 far 0 93 0 - 8.4-10.4 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 1 assignment used, quality = 0.99: HA ASP 131 + HA VAL 132 OK 99 99 100 100 4.8-4.9 4.9=100 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 3 assignments used, quality = 0.93: H VAL 132 + HB VAL 133 OK 93 93 100 100 4.6-5.3 3.3/7933=100...(16) H ASP 47 - HB VAL 133 far 0 60 0 - 8.6-9.3 H HIS 4 - HB VAL 133 far 0 68 0 - 9.6-68.4 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 4 assignments used, quality = 1.00: H LEU 43 + QG1 VAL 133 OK 99 99 100 100 3.7-4.1 6510/11777=74...(19) H GLU 40 + QG1 VAL 133 OK 84 99 90 95 4.6-5.4 3.6/10578=63...(13) H ASP 131 - QG1 VAL 133 far 4 76 5 - 5.1-6.6 H TYR 72 - QG1 VAL 133 far 0 68 0 - 9.4-9.8 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 5.2-6.0 3.3/4245=95, ~7935=79...(14) H HIS 4 - QG1 VAL 133 far 0 95 0 - 7.6-57.0 Violated in 4 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 3.7-4.1 10552/2.1=91...(16) Violated in 0 structures by 0.00 A. Peak 11757 from aliabs.peaks (3.87, 1.04, 23.71 ppm; 4.69 A increased from 4.41 A): 1 out of 6 assignments used, quality = 0.76: HD2 PRO 81 + QG2 VAL 133 OK 76 81 100 94 3.7-4.9 ~10574=28, ~10574=26...(18) HA LYS 86 - QG2 VAL 133 far 0 93 0 - 5.5-6.3 HA ALA 46 - QG2 VAL 133 far 0 85 0 - 7.0-8.0 HA3 GLY 75 - QG2 VAL 133 far 0 83 0 - 8.2-9.2 HA LEU 70 - QG2 VAL 133 far 0 99 0 - 8.7-9.1 HB3 SER 50 - QG2 VAL 133 far 0 99 0 - 9.7-12.1 Violated in 3 structures by 0.02 A. Peak 11758 from aliabs.peaks (4.09, 1.04, 23.71 ppm; 4.91 A): 2 out of 4 assignments used, quality = 0.97: HA PHE 89 + QG2 VAL 133 OK 92 97 95 100 4.8-5.5 3.1/10554=80...(16) HA ILE 80 + QG2 VAL 133 OK 58 60 100 97 3.9-5.2 4.2/10588=69...(12) HA CYS 79 - QG2 VAL 133 far 0 97 0 - 7.7-8.9 HA CYS 45 - QG2 VAL 133 far 0 85 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 11759 from aliabs.peaks (4.36, 1.04, 23.71 ppm; 5.46 A increased from 4.59 A): 2 out of 6 assignments used, quality = 1.00: HA GLN 134 + QG2 VAL 133 OK 100 100 100 100 5.0-5.5 3.0/7946=88...(20) HA CYS 73 + QG2 VAL 133 OK 80 83 100 97 4.9-5.3 9570/11676=64...(8) HA LEU 69 - QG2 VAL 133 far 0 98 0 - 7.5-7.9 HA ASP 78 - QG2 VAL 133 far 0 65 0 - 8.3-9.2 HA ASP 47 - QG2 VAL 133 far 0 83 0 - 8.6-9.8 HA CYS 125 - QG2 VAL 133 far 0 100 0 - 9.1-10.3 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 4 assignments used, quality = 0.99: HA TYR 76 + QG2 VAL 133 OK 93 93 100 100 5.5-6.6 4.7/10555=88...(9) HA ASP 131 + QG2 VAL 133 OK 92 92 100 100 5.0-6.5 3.6/10564=86...(7) HA SER 74 - QG2 VAL 133 far 0 100 0 - 7.9-8.5 HA PHE 87 - QG2 VAL 133 far 0 76 0 - 9.0-9.7 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 5 assignments used, quality = 0.99: HA GLN 134 + QG1 VAL 133 OK 99 99 100 100 2.9-4.0 3.0/4250=82...(18) HA PRO 81 - QG1 VAL 133 far 0 83 0 - 6.7-7.9 HA LEU 69 - QG1 VAL 133 far 0 100 0 - 8.6-9.2 HA ASP 47 - QG1 VAL 133 far 0 97 0 - 8.6-9.8 HA2 GLY 75 - QG1 VAL 133 far 0 78 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 11762 from aliabs.peaks (3.48, 0.84, 22.12 ppm; 6.44 A increased from 5.15 A): 2 out of 2 assignments used, quality = 0.99: HA VAL 132 + QG1 VAL 133 OK 95 95 100 100 5.7-6.1 3.6/4245=97...(21) HA LEU 42 + QG1 VAL 133 OK 90 90 100 100 6.1-6.3 3.9/10585=97...(7) 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 = 0.80: HA LYS 39 + QG2 VAL 133 OK 56 57 100 98 3.1-4.0 10578/2.1=53...(15) HB3 PHE 89 + QG2 VAL 133 OK 54 60 90 100 4.8-5.6 2.7/10554=85...(14) HB3 TYR 72 - QG2 VAL 133 far 0 65 0 - 6.0-6.4 Violated in 0 structures by 0.00 A. Peak 11764 from aliabs.peaks (2.29, 1.04, 23.71 ppm; 4.03 A): 1 out of 4 assignments used, quality = 0.96: HB VAL 132 + QG2 VAL 133 OK 96 97 100 99 3.0-4.3 7929/7935=59...(19) HG2 GLU 40 - QG2 VAL 133 far 0 100 0 - 7.6-9.9 HG2 GLU 44 - QG2 VAL 133 far 0 73 0 - 7.7-9.5 HG3 GLN 68 - QG2 VAL 133 far 0 65 0 - 9.4-10.1 Violated in 1 structures by 0.01 A. Peak 11765 from aliabs.peaks (2.31, 0.84, 22.12 ppm; 4.61 A): 1 out of 5 assignments used, quality = 0.86: HB3 GLN 134 + QG1 VAL 133 OK 86 90 95 100 3.4-5.4 2.9/10576=63...(21) HG2 GLU 40 - QG1 VAL 133 far 0 76 0 - 5.7-8.3 HG2 GLU 44 - QG1 VAL 133 far 0 100 0 - 7.4-8.5 HB VAL 77 - QG1 VAL 133 far 0 65 0 - 7.5-8.5 HG2 GLU 128 - QG1 VAL 133 far 0 63 0 - 8.3-10.3 Violated in 4 structures by 0.06 A. Peak 11766 from aliabs.peaks (1.35, 1.04, 23.71 ppm; 4.52 A): 2 out of 4 assignments used, quality = 0.98: QB ALA 46 + QG2 VAL 133 OK 92 98 95 99 4.3-5.2 9177/10587=76...(11) HB2 LEU 42 + QG2 VAL 133 OK 71 71 100 100 3.5-4.0 3.1/10587=83...(19) QB ALA 21 - QG2 VAL 133 far 0 100 0 - 9.3-25.5 QB ALA 12 - QG2 VAL 133 far 0 97 0 - 9.8-28.2 Violated in 0 structures by 0.00 A. Peak 11767 from aliabs.peaks (1.75, 1.04, 23.71 ppm; 5.15 A increased from 4.12 A): 2 out of 4 assignments used, quality = 0.99: HB2 LYS 39 + QG2 VAL 133 OK 93 93 100 100 4.4-5.3 ~10578=55, 4.9/10571=55...(19) HB ILE 80 + QG2 VAL 133 OK 90 95 95 100 5.0-5.8 3.2/10588=87...(28) HG13 ILE 129 - QG2 VAL 133 poor 20 100 20 - 5.5-6.6 HG3 ARG 90 - QG2 VAL 133 far 0 97 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 11768 from aliabs.peaks (1.73, 0.84, 22.12 ppm; 3.92 A): 2 out of 4 assignments used, quality = 0.92: HD3 LYS 39 + QG1 VAL 133 OK 82 83 100 99 2.3-4.1 1.8/10572=41...(20) HB2 LYS 39 + QG1 VAL 133 OK 58 60 100 97 2.1-4.0 3.0/10578=52...(16) HB ILE 80 - QG1 VAL 133 far 0 100 0 - 5.8-7.3 HG13 ILE 129 - QG1 VAL 133 far 0 97 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 11769 from aliabs.peaks (1.50, 0.84, 22.12 ppm; 5.55 A increased from 4.68 A): 1 out of 3 assignments used, quality = 0.85: HG LEU 42 + QG1 VAL 133 OK 85 85 100 100 5.2-5.5 2.1/10585=100, ~10587=87...(22) HG3 LYS 86 - QG1 VAL 133 far 0 57 0 - 7.5-10.3 HG LEU 69 - QG1 VAL 133 far 0 97 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 11770 from aliabs.peaks (0.76, 2.19, 31.57 ppm; 4.25 A): 1 out of 5 assignments used, quality = 0.97: QD2 LEU 43 + HB VAL 133 OK 97 97 100 100 1.8-2.9 9128=94, 11679/2.1=88...(23) HG12 ILE 129 - HB VAL 133 far 0 98 0 - 6.9-9.0 QD2 LEU 96 - HB VAL 133 far 0 99 0 - 8.4-9.7 QG1 VAL 93 - HB VAL 133 far 0 100 0 - 8.8-10.4 QD1 LEU 96 - HB VAL 133 far 0 87 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 11771 from aliabs.peaks (0.66, 2.19, 31.57 ppm; 5.56 A): 2 out of 3 assignments used, quality = 0.97: QD1 LEU 43 + HB VAL 133 OK 92 92 100 100 3.0-4.6 2.1/9128=100, ~11679=89...(18) QD1 LEU 42 + HB VAL 133 OK 60 60 100 100 4.9-5.7 2.1/9087=99, ~10587=88...(22) QD1 ILE 129 - HB VAL 133 far 0 96 0 - 6.3-8.0 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 3.0-3.6 10585/2.1=99...(24) Violated in 0 structures by 0.00 A. Peak 11774 from aliabs.peaks (0.65, 1.04, 23.71 ppm; 3.52 A increased from 3.31 A): 1 out of 2 assignments used, quality = 0.94: QD1 LEU 42 + QG2 VAL 133 OK 94 95 100 100 3.1-3.5 2.1/10587=74...(27) QD1 ILE 129 - QG2 VAL 133 far 0 100 0 - 5.0-5.7 Violated in 0 structures by 0.00 A. Peak 11775 from aliabs.peaks (0.65, 0.84, 22.12 ppm; 3.46 A): 1 out of 3 assignments used, quality = 0.63: QD1 LEU 43 + QG1 VAL 133 OK 63 63 100 100 2.0-3.5 2.1/11679=75...(31) QD1 LEU 42 - QG1 VAL 133 far 0 90 0 - 4.1-4.7 QD1 ILE 129 - QG1 VAL 133 far 0 100 0 - 6.9-7.7 Violated in 1 structures by 0.00 A. Peak 11776 from aliabs.peaks (0.74, 1.04, 23.71 ppm; 3.65 A increased from 3.24 A): 1 out of 6 assignments used, quality = 1.00: QD2 LEU 43 + QG2 VAL 133 OK 100 100 100 100 2.3-3.6 11090=100, 11777/2.1=80...(31) HG12 ILE 129 - QG2 VAL 133 far 0 100 0 - 5.9-6.8 QD2 LEU 96 - QG2 VAL 133 far 0 100 0 - 6.6-7.4 QG1 VAL 93 - QG2 VAL 133 far 0 100 0 - 6.7-7.1 QD1 ILE 37 - QG2 VAL 133 far 0 76 0 - 7.3-8.0 QD1 LEU 96 - QG2 VAL 133 far 0 63 0 - 8.3-9.1 Violated in 0 structures by 0.00 A. Peak 11777 from aliabs.peaks (0.74, 0.84, 22.12 ppm; 3.13 A): 1 out of 5 assignments used, quality = 1.00: QD2 LEU 43 + QG1 VAL 133 OK 100 100 100 100 1.9-3.1 2.1/11775=55...(28) HG12 ILE 129 - QG1 VAL 133 far 0 100 0 - 7.5-8.8 QD1 ILE 37 - QG1 VAL 133 far 0 68 0 - 7.6-8.5 QD2 LEU 96 - QG1 VAL 133 far 0 99 0 - 8.3-8.9 QG1 VAL 93 - QG1 VAL 133 far 0 99 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 11778 from aliabs.peaks (1.14, 0.84, 22.12 ppm; 3.40 A): 2 out of 4 assignments used, quality = 0.99: HG2 LYS 39 + QG1 VAL 133 OK 96 99 100 96 1.8-3.4 4.0/10578=31...(22) HG3 LYS 39 + QG1 VAL 133 OK 81 83 100 98 1.7-2.1 11073/11777=33...(25) QG1 VAL 132 - QG1 VAL 133 far 0 95 0 - 5.4-5.8 QG2 VAL 132 - QG1 VAL 133 far 0 100 0 - 5.7-6.0 Violated in 0 structures by 0.00 A. Peak 11779 from aliabs.peaks (1.68, 4.35, 56.69 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: HD2 LYS 39 + HA GLN 134 OK 99 100 100 99 3.2-6.1 1.8/11683=74, ~10606=64...(9) HG2 ARG 135 + HA GLN 134 OK 69 76 100 91 5.0-6.7 7983/3.6=76...(4) HB2 LEU 43 + HA GLN 134 OK 25 71 35 100 7.0-8.0 3.2/11682=97...(16) HB2 LEU 43 - HA ASP 47 poor 11 44 25 - 6.5-8.0 HB2 LEU 69 - HA ASP 47 far 0 36 0 - 9.4-9.7 QB ALA 88 - HA GLN 134 far 0 90 0 - 9.6-10.0 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 5.0-5.5 2.1/11761=91...(20) QG2 VAL 133 - HA ASP 47 far 0 64 0 - 8.6-9.8 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 3.3-4.2 2.1/11682=87, 11899=74...(18) QD1 LEU 43 - HA ASP 47 far 0 53 0 - 6.5-8.0 QD2 LEU 62 - HA ASP 47 far 0 51 0 - 8.2-8.6 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 2 assignments used, quality = 1.00: QD2 LEU 43 + HG2 GLN 134 OK 100 100 100 100 1.8-2.5 9124=98, 9127/1.8=92...(30) HG12 ILE 129 - HG2 GLN 134 far 0 100 0 - 8.7-10.2 Violated in 0 structures by 0.00 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 1.8-2.6 10526=92, 10019/1.8=72...(25) HA VAL 132 - HG3 PRO 81 far 0 68 0 - 7.4-9.9 Violated in 0 structures by 0.00 A. Peak 11784 from aliabs.peaks (4.13, 2.03, 27.30 ppm; 4.61 A increased from 4.09 A): 1 out of 7 assignments used, quality = 0.68: HA ILE 80 + HG3 PRO 81 OK 68 68 100 100 4.2-4.5 2478/2.3=88...(21) HA CYS 79 - HG3 PRO 81 far 0 44 0 - 7.6-8.8 HA ILE 80 - HG3 ARG 135 far 0 100 0 - 8.2-9.4 HA3 GLY 114 - HG2 PRO 117 far 0 60 0 - 8.3-10.3 HA3 GLY 114 - HG3 PRO 117 far 0 60 0 - 8.4-10.4 HB THR 83 - HG3 PRO 81 far 0 47 0 - 8.6-11.4 HB THR 83 - HG3 ARG 135 far 0 78 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 11785 from aliabs.peaks (2.81, 2.03, 27.30 ppm; 4.35 A): 1 out of 10 assignments used, quality = 0.94: HB3 ASN 85 + HG3 ARG 135 OK 94 99 100 95 3.7-4.6 10302=53, 11743/10534=32...(13) HB3 ASN 85 - HG3 PRO 81 far 7 66 10 - 3.9-7.1 HB2 ASN 121 - HG2 PRO 117 far 0 54 0 - 5.3-7.4 HB3 ASN 120 - HG2 PRO 117 far 0 57 0 - 6.5-6.8 HB2 ASN 121 - HG3 PRO 117 far 0 54 0 - 6.7-8.8 HB3 ASN 120 - HG3 PRO 117 far 0 57 0 - 7.0-7.3 HB2 ASN 120 - HG2 PRO 117 far 0 58 0 - 7.9-8.5 HB2 ASN 120 - HG3 PRO 117 far 0 58 0 - 8.4-9.0 HB2 ASN 13 - HG3 PRO 81 far 0 68 0 - 8.4-44.7 HB2 ASN 13 - HG3 ARG 135 far 0 99 0 - 8.8-48.5 Violated in 3 structures by 0.03 A. Peak 11786 from aliabs.peaks (1.12, 1.89, 30.87 ppm; 5.16 A): 1 out of 3 assignments used, quality = 0.99: QG1 VAL 132 + HB2 ARG 135 OK 99 99 100 100 3.9-5.1 11787/1.8=85...(30) QG2 VAL 132 - HB2 ARG 135 far 4 83 5 - 5.7-6.4 HG2 LYS 39 - HB2 ARG 135 far 0 92 0 - 7.5-11.7 Violated in 0 structures by 0.00 A. Peak 11787 from aliabs.peaks (1.13, 1.82, 30.87 ppm; 4.81 A): 1 out of 6 assignments used, quality = 1.00: QG1 VAL 132 + HB3 ARG 135 OK 100 100 100 100 4.1-4.8 11786/1.8=69...(34) QG2 VAL 132 - HB3 ARG 135 far 0 96 0 - 5.7-6.4 QG2 VAL 132 - HB VAL 93 far 0 47 0 - 6.1-7.0 QG1 VAL 132 - HB VAL 93 far 0 53 0 - 6.8-7.7 HG2 LYS 39 - HB3 ARG 135 far 0 99 0 - 7.5-10.4 HG12 ILE 32 - HB3 ARG 23 far 0 53 0 - 8.1-15.0 Violated in 0 structures by 0.00 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 4.1-5.0 3.2/10019=69, ~11783=49...(36) QG1 VAL 132 + HG2 ARG 135 OK 92 92 100 100 3.0-4.6 3.2/10019=69...(37) HG2 LYS 39 - HG2 ARG 135 far 0 99 0 - 7.6-11.6 HG3 LYS 39 - HG2 ARG 135 far 0 87 0 - 8.2-10.3 Violated in 0 structures by 0.00 A. Peak 11789 from aliabs.peaks (1.13, 2.92, 44.19 ppm; 4.18 A increased from 3.72 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 132 + HD2 ARG 135 OK 100 100 100 100 3.4-4.5 11875/2.9=71...(32) QG2 VAL 132 + HD2 ARG 135 OK 29 97 30 100 4.1-5.6 3.2/10529=59, ~11875=42...(31) HG2 LYS 39 - HD2 ARG 135 far 0 100 0 - 9.2-12.8 Violated in 0 structures by 0.00 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 4 assignments used, quality = 0.84: HG2 MET 11 + QE MET 11 OK 84 99 100 85 2.0-3.2 3.3=77, 130/11799=19...(4) HG3 GLU 128 - QE MET 11 far 0 90 0 - 5.4-40.6 HG2 GLN 82 - QE MET 11 far 0 99 0 - 8.1-43.3 HG3 GLN 82 - QE MET 11 far 0 100 0 - 9.1-42.9 Violated in 1 structures by 0.01 A. Peak 11792 from aliabs.peaks (2.54, 2.03, 16.66 ppm; 3.34 A increased from 3.14 A): 1 out of 1 assignment used, quality = 0.68: HG3 MET 11 + QE MET 11 OK 68 68 100 100 2.0-3.2 3.3=100 Violated in 0 structures by 0.00 A. Peak 11793 from aliabs.peaks (2.61, 2.03, 16.66 ppm; 3.57 A): 0 out of 0 assignments used, quality = 0.00: Peak 11794 from aliabs.peaks (1.65, 2.03, 16.66 ppm; 2.99 A): 0 out of 13 assignments used, quality = 0.00: HD3 LYS 95 - QE MET 11 far 0 95 0 - 3.7-37.0 QB ALA 88 - QE MET 11 far 0 89 0 - 3.7-33.9 HD2 LYS 95 - QE MET 11 far 0 99 0 - 4.0-37.8 HD3 LYS 19 - QE MET 11 far 0 100 0 - 4.7-22.3 HD2 LYS 19 - QE MET 11 far 0 100 0 - 6.0-21.0 HG3 ARG 84 - QE MET 11 far 0 99 0 - 6.3-44.0 HG2 ARG 84 - QE MET 11 far 0 98 0 - 6.7-43.1 HG LEU 22 - QE MET 11 far 0 71 0 - 7.2-27.0 HD3 LYS 31 - QE MET 11 far 0 96 0 - 7.9-33.3 HD2 LYS 31 - QE MET 11 far 0 98 0 - 7.9-33.2 HB3 LEU 22 - QE MET 11 far 0 60 0 - 7.9-25.4 HB2 LEU 123 - QE MET 11 far 0 100 0 - 8.6-43.1 HB2 LEU 98 - QE MET 11 far 0 100 0 - 9.4-34.8 Violated in 20 structures by 6.66 A. Peak 11795 from aliabs.peaks (1.54, 2.03, 16.66 ppm; 3.09 A): 0 out of 2 assignments used, quality = 0.00: HB2 LEU 22 - QE MET 11 far 0 100 0 - 7.4-26.2 HG LEU 123 - QE MET 11 far 0 81 0 - 8.7-44.4 Violated in 20 structures by 14.59 A. Peak 11796 from aliabs.peaks (1.46, 2.03, 16.66 ppm; 3.23 A): 0 out of 2 assignments used, quality = 0.00: HG3 LYS 19 - QE MET 11 far 0 65 0 - 5.8-21.9 HG2 LYS 31 - QE MET 11 far 0 99 0 - 9.1-32.6 Violated in 20 structures by 12.35 A. Peak 11797 from aliabs.peaks (1.32, 2.03, 16.66 ppm; 3.41 A): 0 out of 2 assignments used, quality = 0.00: QB ALA 21 - QE MET 11 far 0 60 0 - 7.9-19.2 QB ALA 46 - QE MET 11 far 0 78 0 - 9.6-33.6 Violated in 20 structures by 10.45 A. Peak 11798 from aliabs.peaks (2.74, 2.03, 16.66 ppm; 3.41 A): 0 out of 5 assignments used, quality = 0.00: HB3 ASN 13 - QE MET 11 far 3 68 5 - 3.9-9.8 HB2 CYS 125 - QE MET 11 far 0 96 0 - 6.1-38.5 HB2 ASP 131 - QE MET 11 far 0 71 0 - 8.3-44.4 HB2 CYS 73 - QE MET 11 far 0 100 0 - 8.8-33.8 HB3 ASP 78 - QE MET 11 far 0 85 0 - 9.5-32.0 Violated in 20 structures by 4.31 A. Peak 11799 from aliabs.peaks (4.41, 2.03, 16.66 ppm; 4.95 A increased from 4.65 A): 1 out of 5 assignments used, quality = 0.99: HA MET 11 + QE MET 11 OK 99 99 100 100 3.3-4.7 5.1=90, 130/11791=84...(8) HA SER 9 - QE MET 11 far 6 63 10 - 4.9-9.5 HA HIS 5 - QE MET 11 far 0 100 0 - 8.4-19.2 HA ASP 71 - QE MET 11 far 0 99 0 - 8.6-31.7 HA ASN 120 - QE MET 11 far 0 92 0 - 9.8-43.7 Violated in 0 structures by 0.00 A. Peak 11803 from aliabs.peaks (2.74, 0.75, 26.12 ppm; 4.45 A): 2 out of 5 assignments used, quality = 0.99: HB2 CYS 73 + QD2 LEU 96 OK 96 100 100 96 3.3-3.8 2232/11810=52...(11) HB2 CYS 125 + QD2 LEU 96 OK 84 99 85 100 3.5-5.1 9986/2.1=76, 1.8/9989=72...(28) HB2 TYR 76 - QD2 LEU 96 far 0 71 0 - 7.4-8.4 HB2 ASP 131 - QD2 LEU 96 far 0 60 0 - 9.2-10.0 HB2 ASP 47 - QD2 LEU 96 far 0 78 0 - 9.7-11.7 Violated in 0 structures by 0.00 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 0 99 0 - 6.4-7.1 QG1 VAL 132 - QD2 LEU 96 far 0 87 0 - 7.9-8.5 HB3 LEU 62 - QD2 LEU 96 far 0 100 0 - 8.4-10.6 Violated in 20 structures by 1.98 A. Peak 11805 from aliabs.peaks (1.66, 0.75, 26.12 ppm; 3.48 A): 1 out of 7 assignments used, quality = 0.94: HB2 LEU 69 + QD2 LEU 96 OK 94 99 100 95 1.9-2.8 3.2/11037=50...(20) HD3 LYS 95 - QD2 LEU 96 far 0 100 0 - 6.4-8.8 HD2 LYS 95 - QD2 LEU 96 far 0 100 0 - 6.8-9.0 HB2 LEU 98 - QD2 LEU 96 far 0 96 0 - 6.9-7.5 QB ALA 88 - QD2 LEU 96 far 0 100 0 - 8.2-8.9 HB2 LEU 123 - QD2 LEU 96 far 0 98 0 - 8.4-9.5 HG LEU 43 - QD2 LEU 96 far 0 92 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 11806 from aliabs.peaks (3.26, 0.75, 26.12 ppm; 4.30 A): 1 out of 2 assignments used, quality = 0.99: HA VAL 93 + QD2 LEU 96 OK 99 99 100 100 1.8-2.6 2906=49, 3.2/2922=43...(36) HB3 HIS 10 - QD2 LEU 96 far 0 89 0 - 9.9-34.6 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 3 assignments used, quality = 0.96: HA VAL 126 + QD2 LEU 96 OK 96 96 100 100 2.9-4.0 11452/2.1=76...(28) HB3 HIS 67 - QD2 LEU 96 far 0 90 0 - 7.4-8.0 HA VAL 77 - QD2 LEU 96 far 0 65 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 11808 from aliabs.peaks (3.65, 0.77, 23.66 ppm; 4.58 A): 2 out of 2 assignments used, quality = 0.93: HA2 GLY 66 + QD1 LEU 96 OK 73 90 100 81 2.6-3.0 9991/2.1=40, ~9991=23...(13) HA3 GLY 66 + QD1 LEU 96 OK 72 97 100 74 2.9-3.3 9991/2.1=30, ~9991=30...(13) Violated in 0 structures by 0.00 A. Peak 11809 from aliabs.peaks (3.77, 0.75, 26.12 ppm; 4.66 A increased from 4.14 A): 1 out of 7 assignments used, quality = 0.97: HA GLU 97 + QD2 LEU 96 OK 97 97 100 100 3.9-4.6 2.8/3098=79...(31) HA ARG 90 - QD2 LEU 96 far 0 65 0 - 5.5-6.5 HB2 SER 99 - QD2 LEU 96 far 0 97 0 - 6.3-7.3 HB3 SER 130 - QD2 LEU 96 far 0 100 0 - 7.0-8.5 HA SER 130 - QD2 LEU 96 far 0 100 0 - 7.1-8.3 HA LEU 43 - QD2 LEU 96 far 0 100 0 - 8.0-8.9 HB3 SER 9 - QD2 LEU 96 far 0 63 0 - 9.8-36.5 Violated in 0 structures by 0.00 A. Peak 11810 from aliabs.peaks (3.87, 0.75, 26.12 ppm; 3.82 A): 1 out of 7 assignments used, quality = 0.84: HA LEU 70 + QD2 LEU 96 OK 84 98 100 86 2.9-3.4 4.9/11811=28...(12) HA ALA 46 - QD2 LEU 96 far 0 83 0 - 5.0-6.4 HB2 SER 94 - QD2 LEU 96 far 0 65 0 - 5.9-7.2 HA LEU 123 - QD2 LEU 96 far 0 81 0 - 6.4-7.9 HB3 SER 50 - QD2 LEU 96 far 0 99 0 - 8.2-9.9 HA3 GLY 75 - QD2 LEU 96 far 0 81 0 - 8.8-9.6 HA LYS 86 - QD2 LEU 96 far 0 92 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 11811 from aliabs.peaks (4.34, 0.75, 26.12 ppm; 4.71 A): 1 out of 4 assignments used, quality = 0.97: HA LEU 69 + QD2 LEU 96 OK 97 97 100 100 4.2-5.0 3.0/11805=85...(17) HA CYS 125 - QD2 LEU 96 far 4 87 5 - 5.2-5.8 HA ASP 47 - QD2 LEU 96 far 0 100 0 - 8.5-9.9 HA2 GLY 75 - QD2 LEU 96 far 0 95 0 - 9.2-10.0 Violated in 2 structures by 0.01 A. Peak 11812 from aliabs.peaks (4.34, 0.77, 23.66 ppm; 5.64 A increased from 5.01 A): 2 out of 4 assignments used, quality = 1.00: HA LEU 69 + QD1 LEU 96 OK 99 99 100 100 4.7-5.5 11811/2.1=94, ~11805=74...(14) HA CYS 125 + QD1 LEU 96 OK 93 93 100 100 5.8-6.2 3.0/9987=92, 3.0/9986=89...(25) HA ASP 47 - QD1 LEU 96 far 0 100 0 - 8.6-9.0 HA ASN 59 - QD1 LEU 96 far 0 99 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 11813 from aliabs.peaks (4.33, 4.00, 62.52 ppm; 4.29 A increased from 3.81 A): 2 out of 10 assignments used, quality = 0.73: HA CYS 125 + HB2 SER 124 OK 62 64 100 97 4.0-4.3 11589=75, 2.9/7780=64...(6) HA ASP 47 + HB3 SER 51 OK 29 71 65 61 4.4-6.6 6629/3.8=39, 5.0/1493=34 HA ASP 47 - HA SER 50 far 0 100 0 - 5.4-5.8 HA CYS 125 - HB3 SER 124 far 0 44 0 - 5.4-5.7 HA LYS 24 - HA VAL 20 far 0 92 0 - 6.6-9.6 HA PRO 81 - HA VAL 20 far 0 91 0 - 7.2-31.3 HA PRO 117 - HB3 SER 124 far 0 31 0 - 8.6-9.2 HA CYS 125 - HA SER 50 far 0 83 0 - 8.8-9.8 HA2 GLY 75 - HA VAL 20 far 0 89 0 - 9.2-25.4 HA PRO 117 - HB2 SER 124 far 0 47 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 11814 from aliabs.peaks (8.29, 3.76, 63.23 ppm; 4.39 A): 1 out of 4 assignments used, quality = 1.00: H SER 99 + HB2 SER 99 OK 100 100 100 100 2.1-3.2 3.7=100 H LEU 96 - HB2 SER 99 far 5 96 5 - 5.0-6.6 H LEU 123 - HB2 SER 99 far 0 83 0 - 5.4-6.9 H VAL 126 - HB2 SER 99 far 0 99 0 - 6.8-7.9 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 2 assignments used, quality = 1.00: H LEU 100 + HB2 SER 99 OK 100 100 100 100 2.8-4.0 4.5=100 H GLU 97 + HB2 SER 99 OK 68 93 85 86 4.8-6.3 3.6/3208=40, 7385/3.7=37...(11) Violated in 0 structures by 0.00 A. Peak 11816 from aliabs.peaks (1.96, 3.82, 62.30 ppm; 6.48 A increased from 5.46 A): 1 out of 1 assignment used, quality = 0.81: HG LEU 53 + HB2 SER 50 OK 81 81 100 100 5.9-6.5 ~9218=82, ~9218=82...(20) Violated in 0 structures by 0.00 A. Peak 11817 from aliabs.peaks (0.94, 3.82, 62.30 ppm; 4.27 A): 3 out of 12 assignments used, quality = 0.99: QD1 LEU 123 + HB2 SER 50 OK 90 90 100 100 2.0-3.8 11874/3.0=69...(29) QG1 VAL 126 + HB2 SER 50 OK 90 92 100 98 3.0-4.8 11785/3.9=49...(16) QG1 VAL 126 + HB2 SER 130 OK 46 87 60 88 3.5-6.2 10409/11718=52...(10) QD1 LEU 49 - HB2 SER 50 far 0 60 0 - 5.1-6.1 QG2 VAL 126 - HB2 SER 50 far 0 81 0 - 5.4-6.8 QG2 VAL 126 - HB2 SER 130 far 0 76 0 - 5.6-8.4 QD1 LEU 49 - HB2 SER 130 far 0 56 0 - 6.2-8.6 QD2 LEU 53 - HB2 SER 50 far 0 71 0 - 6.3-6.9 QD1 LEU 123 - HB2 SER 130 far 0 86 0 - 6.5-8.5 QD1 LEU 62 - HB2 SER 50 far 0 63 0 - 7.9-8.7 QG2 ILE 37 - HB2 SER 130 far 0 96 0 - 8.6-10.0 QD2 LEU 53 - HB2 SER 130 far 0 66 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 11818 from aliabs.peaks (8.28, 0.97, 25.20 ppm; 5.20 A): 1 out of 6 assignments used, quality = 0.92: H LEU 123 + QD2 LEU 53 OK 92 95 100 98 2.8-4.1 2.9/9254=71, 3907/2.1=49...(12) H LEU 49 - QD2 LEU 53 far 4 83 5 - 5.7-7.7 H VAL 126 - QD2 LEU 53 far 0 100 0 - 5.9-7.6 H SER 99 - QD2 LEU 53 far 0 97 0 - 8.5-10.4 H LEU 69 - QD2 LEU 53 far 0 87 0 - 8.9-11.4 H LEU 96 - QD2 LEU 53 far 0 100 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 11820 from aliabs.peaks (8.47, 0.80, 26.84 ppm; 5.75 A increased from 5.41 A): 1 out of 5 assignments used, quality = 0.92: H LEU 70 + QD2 LEU 49 OK 92 97 100 94 5.6-5.8 6941/11034=33...(11) H LEU 100 - QD2 LEU 49 poor 11 95 45 27 6.1-6.7 11009/9208=10...(6) H ASP 47 - QD2 LEU 49 far 0 89 0 - 6.7-7.3 H GLU 97 - QD2 LEU 49 far 0 78 0 - 6.8-7.4 H VAL 132 - HG13 ILE 80 far 0 61 0 - 8.1-8.8 Violated in 1 structures by 0.00 A. Peak 11822 from aliabs.peaks (0.90, 0.73, 25.24 ppm; 2.66 A): 3 out of 10 assignments used, quality = 1.00: QG1 VAL 118 + QD2 LEU 103 OK 93 97 100 96 1.9-3.2 11612/2.1=27...(22) QG2 VAL 63 + QD2 LEU 103 OK 92 99 100 93 1.6-2.0 2034/11832=23...(36) QD1 LEU 62 + QD2 LEU 103 OK 49 97 65 77 2.9-3.4 3.2/11823=27...(15) QD1 LEU 49 - QD2 LEU 103 far 0 98 0 - 6.0-6.9 QD2 LEU 123 - QD2 LEU 103 far 0 81 0 - 7.1-8.1 QG2 VAL 112 - QD2 LEU 103 far 0 83 0 - 7.3-8.6 QD1 LEU 123 - QD2 LEU 103 far 0 78 0 - 7.6-8.6 QD2 LEU 98 - QD2 LEU 103 far 0 81 0 - 8.4-9.7 QD1 LEU 48 - QD2 LEU 103 far 0 99 0 - 8.6-9.7 QD2 LEU 48 - QD2 LEU 103 far 0 99 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. Peak 11823 from aliabs.peaks (1.15, 0.73, 25.24 ppm; 3.62 A): 1 out of 2 assignments used, quality = 0.97: HB3 LEU 62 + QD2 LEU 103 OK 97 100 100 97 2.3-3.2 1.8/11826=44...(13) QG2 THR 115 - QD2 LEU 103 far 0 87 0 - 6.2-7.3 Violated in 0 structures by 0.00 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 - 8.7-9.8 Violated in 20 structures by 5.28 A. Peak 11825 from aliabs.peaks (1.41, 0.73, 25.24 ppm; 3.82 A): 0 out of 5 assignments used, quality = 0.00: QB ALA 109 - QD2 LEU 103 far 0 83 0 - 5.5-6.8 QB ALA 108 - QD2 LEU 103 far 0 63 0 - 7.1-8.1 HG LEU 96 - QD2 LEU 103 far 0 97 0 - 7.4-8.4 HB2 LEU 96 - QD2 LEU 103 far 0 65 0 - 7.4-8.3 QB ALA 110 - QD2 LEU 103 far 0 71 0 - 7.6-9.8 Violated in 20 structures by 1.68 A. Peak 11826 from aliabs.peaks (2.06, 0.73, 25.24 ppm; 3.52 A): 2 out of 6 assignments used, quality = 0.99: HB2 LEU 62 + QD2 LEU 103 OK 97 100 100 97 2.0-2.9 1.8/11823=69...(13) HB VAL 118 + QD2 LEU 103 OK 69 99 70 100 3.4-4.4 11611/2.1=71, ~10265=38...(27) HB2 GLU 102 - QD2 LEU 103 far 0 76 0 - 6.0-7.7 HG2 PRO 117 - QD2 LEU 103 far 0 99 0 - 7.5-8.3 HG3 PRO 58 - QD2 LEU 103 far 0 100 0 - 8.4-9.0 HG3 PRO 117 - QD2 LEU 103 far 0 99 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 11827 from aliabs.peaks (2.21, 0.73, 25.24 ppm; 4.87 A increased from 4.33 A): 1 out of 8 assignments used, quality = 0.90: HB3 GLN 104 + QD2 LEU 103 OK 90 90 100 99 4.2-4.7 11420/3.1=68...(18) HB2 GLN 104 - QD2 LEU 103 far 0 85 0 - 5.5-6.1 HB3 GLU 102 - QD2 LEU 103 far 0 81 0 - 6.5-7.3 HB2 GLN 101 - QD2 LEU 103 far 0 100 0 - 8.0-8.3 HG2 GLN 68 - QD2 LEU 103 far 0 99 0 - 8.6-10.5 HB3 GLU 97 - QD2 LEU 103 far 0 96 0 - 8.7-9.4 HB2 GLN 68 - QD2 LEU 103 far 0 97 0 - 9.1-10.8 HB3 GLN 68 - QD2 LEU 103 far 0 65 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 11828 from aliabs.peaks (2.37, 0.73, 25.24 ppm; 5.10 A increased from 4.54 A): 1 out of 2 assignments used, quality = 0.94: HG2 GLN 104 + QD2 LEU 103 OK 94 96 100 99 4.2-5.1 3.0/11717=74...(7) HB2 PRO 117 - QD2 LEU 103 far 0 96 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 11829 from aliabs.peaks (2.62, 0.73, 25.24 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.99: HB2 ASN 59 + QD2 LEU 103 OK 99 99 100 100 3.3-4.0 11833/2.1=76...(21) Violated in 0 structures by 0.00 A. Peak 11830 from aliabs.peaks (2.87, 0.73, 25.24 ppm; 5.24 A increased from 4.93 A): 1 out of 2 assignments used, quality = 0.99: HB3 ASN 59 + QD2 LEU 103 OK 99 99 100 100 4.6-5.3 1.8/11829=95...(17) HB2 ASN 116 - QD2 LEU 103 far 9 90 10 - 5.7-6.6 Violated in 1 structures by 0.00 A. Peak 11831 from aliabs.peaks (2.92, 0.73, 25.24 ppm; 6.05 A increased from 5.38 A): 1 out of 1 assignment used, quality = 0.58: HB3 ASN 116 + QD2 LEU 103 OK 58 90 100 64 5.4-6.2 3.5/11416=28, ~10232=25...(6) Violated in 1 structures by 0.01 A. Peak 11832 from aliabs.peaks (3.36, 0.73, 25.24 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.99: HA VAL 63 + QD2 LEU 103 OK 99 100 100 99 2.4-2.8 4.9/11841=32...(35) HB2 HIS 67 - QD2 LEU 103 far 0 89 0 - 6.7-8.4 Violated in 0 structures by 0.00 A. Peak 11833 from aliabs.peaks (2.61, 0.78, 24.12 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: HB2 ASN 59 + QD1 LEU 103 OK 100 100 100 100 1.9-2.8 1.8/11834=81...(20) Violated in 0 structures by 0.00 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 3.3-4.4 1.8/11833=73...(20) Violated in 2 structures by 0.01 A. Peak 11835 from aliabs.peaks (3.36, 0.78, 24.12 ppm; 4.33 A): 0 out of 2 assignments used, quality = 0.00: HA VAL 63 - QD1 LEU 103 far 0 100 0 - 4.9-5.5 HB2 HIS 67 - QD1 LEU 103 far 0 83 0 - 9.1-10.9 Violated in 20 structures by 0.90 A. Peak 11836 from aliabs.peaks (0.90, 4.01, 57.03 ppm; 3.63 A): 1 out of 5 assignments used, quality = 0.96: QG1 VAL 118 + HA LEU 103 OK 96 97 100 99 2.7-3.3 11705/3.0=37, 11598=36...(17) QG2 VAL 63 - HA LEU 103 far 5 99 5 - 4.2-4.9 QD1 LEU 62 - HA LEU 103 far 0 97 0 - 6.4-7.2 QG2 VAL 112 - HA LEU 103 far 0 83 0 - 8.7-9.7 QD2 LEU 98 - HA LEU 103 far 0 81 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 11837 from aliabs.peaks (4.30, 0.78, 24.12 ppm; 4.12 A): 1 out of 5 assignments used, quality = 0.63: HA ASN 59 + QD1 LEU 103 OK 63 63 100 100 2.8-4.0 3.0/11834=58...(21) HA ALA 108 - QD1 LEU 103 far 0 60 0 - 5.9-7.1 HA ALA 109 - QD1 LEU 103 far 0 60 0 - 6.6-7.5 HA ALA 110 - QD1 LEU 103 far 0 78 0 - 6.8-8.4 HA GLN 61 - QD1 LEU 103 far 0 65 0 - 7.3-8.6 Violated in 0 structures by 0.00 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; 4.72 A increased from 4.19 A): 1 out of 5 assignments used, quality = 0.93: HA LEU 62 + QD2 LEU 103 OK 93 93 100 100 4.1-4.7 3.0/11823=83...(14) HA VAL 118 - QD2 LEU 103 far 9 90 10 - 5.1-6.0 HA LEU 123 - QD2 LEU 103 far 0 57 0 - 7.3-8.3 HD3 PRO 58 - QD2 LEU 103 far 0 100 0 - 8.7-9.3 HB2 SER 50 - QD2 LEU 103 far 0 100 0 - 9.9-11.3 Violated in 1 structures by 0.00 A. Peak 11842 from aliabs.peaks (3.64, 0.73, 25.24 ppm; 4.93 A): 1 out of 3 assignments used, quality = 0.41: HA3 GLY 66 + QD2 LEU 103 OK 41 100 100 41 4.3-5.1 11018/11832=24...(4) HA2 GLY 66 - QD2 LEU 103 far 0 97 0 - 5.6-6.4 HD2 PRO 58 - QD2 LEU 103 far 0 83 0 - 7.8-8.4 Violated in 4 structures by 0.02 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 4.1-4.5 ~10545=37, ~11743=37...(21) HA ASN 85 + QG1 VAL 132 OK 62 62 100 99 1.9-2.1 3.0/9794=52...(21) Violated in 0 structures by 0.00 A. Peak 11844 from aliabs.peaks (4.01, 0.79, 26.16 ppm; 3.29 A): 3 out of 18 assignments used, quality = 0.97: HA SER 50 + QD1 LEU 53 OK 83 87 100 95 1.8-3.9 9218=44, 11636/11422=40...(20) HB3 SER 99 + QD2 LEU 122 OK 63 69 95 97 1.8-3.9 11476=38, 1.8/11479=31...(25) HA LEU 122 + QD2 LEU 122 OK 46 53 95 91 1.8-4.0 3.9=58, 2.9/7733=16...(22) HA LEU 119 - QD2 LEU 122 far 12 77 15 - 2.4-5.7 HA LEU 119 - QD1 LEU 53 far 5 97 5 - 3.8-5.1 HA LEU 122 - QD1 LEU 53 far 0 71 0 - 4.3-7.1 HA LEU 103 - QD2 LEU 122 far 0 84 0 - 4.7-6.8 HA LYS 95 - QD2 LEU 122 far 0 79 0 - 5.3-8.1 HB3 SER 124 - QD1 LEU 53 far 0 100 0 - 6.0-8.0 HB2 SER 124 - QD2 LEU 122 far 0 53 0 - 6.3-7.9 HB2 SER 124 - QD1 LEU 53 far 0 71 0 - 6.5-8.7 HB3 SER 99 - QD1 LEU 53 far 0 89 0 - 6.6-8.4 HB3 SER 124 - QD2 LEU 122 far 0 84 0 - 6.7-7.8 HA SER 60 - QD2 LEU 122 far 0 83 0 - 7.0-10.1 HA SER 50 - QD2 LEU 122 far 0 67 0 - 7.6-8.5 HA SER 60 - QD1 LEU 53 far 0 100 0 - 8.6-10.7 HA LEU 103 - QD1 LEU 53 far 0 100 0 - 8.8-10.5 HA GLN 68 - QD2 LEU 122 far 0 76 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 11845 from aliabs.peaks (4.02, 0.97, 25.20 ppm; 3.55 A): 1 out of 8 assignments used, quality = 0.78: HA LEU 119 + QD2 LEU 53 OK 78 100 100 78 2.3-3.2 2.9/1680=22...(16) HA SER 50 - QD2 LEU 53 far 0 63 0 - 4.4-5.2 HA LEU 122 - QD2 LEU 53 far 0 92 0 - 5.0-6.7 HB3 SER 99 - QD2 LEU 53 far 0 65 0 - 6.0-8.0 HB3 SER 124 - QD2 LEU 53 far 0 96 0 - 6.3-7.8 HA LEU 96 - QD2 LEU 53 far 0 60 0 - 7.1-8.9 HA LEU 103 - QD2 LEU 53 far 0 97 0 - 7.1-8.9 HA SER 60 - QD2 LEU 53 far 0 92 0 - 7.6-9.5 Violated in 0 structures by 0.00 A. Peak 11846 from aliabs.peaks (0.90, 4.18, 56.53 ppm; 4.09 A): 2 out of 9 assignments used, quality = 0.98: QD1 LEU 62 + HA LEU 53 OK 93 97 100 97 2.0-3.4 2.1/10038=77...(7) QD2 LEU 123 + HA LEU 53 OK 68 83 100 82 3.9-4.5 11422/3.8=47...(7) QD1 LEU 123 - HA LEU 53 far 0 76 0 - 5.4-6.0 QD1 LEU 49 - HA LEU 53 far 0 97 0 - 7.5-8.5 QG1 VAL 118 - HA LEU 53 far 0 98 0 - 7.7-9.0 QG2 VAL 63 - HA LEU 53 far 0 99 0 - 8.0-9.5 QD2 LEU 48 - HA LEU 53 far 0 99 0 - 8.1-9.6 QD1 LEU 48 - HA LEU 53 far 0 99 0 - 9.3-10.6 QG2 VAL 112 - HA LEU 53 far 0 81 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 11848 from aliabs.peaks (1.22, 0.91, 24.15 ppm; 3.34 A): 3 out of 6 assignments used, quality = 0.99: QG2 THR 65 + QD1 LEU 48 OK 97 100 100 97 1.9-2.6 9441/2.1=47...(18) QG2 THR 65 + QD2 LEU 48 OK 57 66 90 95 3.0-4.0 9441/2.1=47...(19) QG2 THR 54 + QD1 LEU 123 OK 28 41 85 81 3.1-4.3 11583/2.1=48, 9275=30...(8) QG2 THR 65 - QD1 LEU 123 far 0 52 0 - 6.5-7.1 QG2 THR 54 - QD2 LEU 48 far 0 52 0 - 6.6-7.8 QG2 THR 54 - QD1 LEU 48 far 0 89 0 - 8.1-9.2 Violated in 0 structures by 0.00 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 5 assignments used, quality = 0.78: H GLU 102 + HB3 LEU 103 OK 68 68 100 100 4.2-4.6 3.0/7474=83...(22) H GLU 102 + HB3 LEU 98 OK 32 96 35 95 5.2-6.6 7451/10051=48, ~3155=37...(11) H GLU 102 - HB3 LEU 122 far 0 89 0 - 6.6-9.9 H GLN 68 - HB2 LEU 48 far 0 71 0 - 7.9-8.8 H GLN 68 - HB3 LEU 122 far 0 80 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 11851 from aliabs.peaks (8.49, 1.78, 41.87 ppm; 5.12 A increased from 4.81 A): 2 out of 7 assignments used, quality = 0.96: H LEU 100 + HB3 LEU 98 OK 84 99 85 100 5.0-6.0 7391/3.0=56, ~3166=54...(31) H LEU 100 + HB3 LEU 103 OK 73 74 100 99 4.7-5.2 10047/3.9=46...(19) H GLU 97 - HB3 LEU 122 far 5 96 5 - 5.6-8.6 H LEU 100 - HB3 LEU 122 far 5 94 5 - 3.1-6.9 H GLU 97 - HB3 LEU 98 far 0 100 0 - 5.8-6.1 H LEU 70 - HB3 LEU 122 far 0 54 0 - 9.2-10.1 H GLU 97 - HB3 LEU 103 far 0 75 0 - 9.3-9.8 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 0 76 0 - 5.9-8.0 H GLN 68 - HG LEU 48 far 0 56 0 - 8.4-10.3 H ALA 92 - HG LEU 98 far 0 92 0 - 9.6-10.6 Violated in 20 structures by 1.91 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 2.2-4.9 9126=97, 2.1/11074=95...(24) Violated in 0 structures by 0.00 A. Peak 11854 from aliabs.peaks (1.06, 2.33, 30.42 ppm; 6.27 A increased from 5.57 A): 1 out of 1 assignment used, quality = 0.85: QG2 VAL 133 + HB3 GLN 134 OK 85 85 100 100 5.6-6.7 4.4/7949=91...(21) Violated in 2 structures by 0.04 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 3.6-5.4 9126/1.8=99, 9121/2.9=96...(22) 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): 1 out of 4 assignments used, quality = 0.99: QG1 VAL 133 + HB3 GLN 134 OK 99 99 100 100 3.4-5.4 7945/7949=95...(21) QG2 ILE 129 - HB3 GLN 134 far 0 99 0 - 7.8-9.5 QG2 ILE 80 - HB3 GLN 134 far 0 90 0 - 9.2-10.1 HG13 ILE 80 - HB3 GLN 134 far 0 85 0 - 9.3-10.5 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 2.8-5.6 3.2/11339=97...(30) HA LEU 42 - HG3 LYS 36 far 0 25 0 - 8.9-10.8 HA ILE 129 - HG3 LYS 86 far 0 95 0 - 9.3-11.0 Violated in 0 structures by 0.00 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 2.5-3.9 2.1/11742=99, 9650=91...(33) QG2 VAL 133 - HG2 LYS 86 far 0 68 0 - 6.3-7.8 Violated in 0 structures by 0.00 A. Peak 11860 from aliabs.peaks (1.06, 1.48, 25.19 ppm; 5.32 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 77 + HG3 LYS 86 OK 100 100 100 100 3.0-5.1 9650/1.8=100, 9650=98...(29) QG2 VAL 133 - HG3 LYS 86 far 0 92 0 - 6.2-8.5 Violated in 0 structures by 0.00 A. Peak 11861 from aliabs.peaks (1.04, 3.77, 61.77 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: QG2 VAL 133 + HA SER 130 OK 100 100 100 100 2.5-3.8 11090/11747=64...(22) 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 5 assignments used, quality = 1.00: QG1 VAL 133 + HA SER 130 OK 100 100 100 100 2.9-4.5 2.1/11861=71...(18) QG2 ILE 129 + HA SER 130 OK 96 96 100 100 3.5-4.4 7884/2.9=67, 11232=51...(27) HG13 ILE 80 - HA SER 130 far 0 73 0 - 7.6-8.2 QG2 ILE 80 - HA SER 130 far 0 81 0 - 8.5-9.4 QD2 LEU 70 - HA SER 130 far 0 81 0 - 9.4-10.4 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 5 assignments used, quality = 0.97: QD2 LEU 43 + HA SER 130 OK 97 97 100 100 1.8-2.3 11805/3.0=62...(30) HG12 ILE 129 - HA SER 130 far 0 99 0 - 5.8-6.4 QD2 LEU 96 - HA SER 130 far 0 100 0 - 7.1-8.3 QD1 LEU 96 - HA SER 130 far 0 85 0 - 8.7-9.6 QG1 VAL 93 - HA SER 130 far 0 100 0 - 8.7-9.3 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 3.0-3.7 10508/3.0=92...(15) 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 2.7-3.2 2.9/11192=82...(19) 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 = 0.98: HA HIS 10 + HB3 SER 9 OK 80 93 90 95 3.8-6.2 ~6054=53, ~100=51...(6) HA HIS 10 + HB2 SER 9 OK 62 73 90 94 4.0-5.8 ~6054=53, ~100=51...(6) HA HIS 8 + HB2 SER 9 OK 57 73 95 82 4.0-6.0 6045/4.0=82 HA HIS 8 + HB3 SER 9 OK 50 93 65 82 4.6-6.3 6045/4.0=82 HA HIS 7 - HB2 SER 9 far 3 53 5 - 5.4-9.5 HA HIS 7 - HB3 SER 9 far 0 71 0 - 6.6-9.5 HA ASN 13 - HB3 SER 9 far 0 90 0 - 7.8-13.5 HA ASN 13 - HB2 SER 9 far 0 70 0 - 9.3-14.5 Violated in 0 structures by 0.00 A. Peak 11869 from aliabs.peaks (1.36, 2.82, 38.56 ppm; 6.02 A increased from 5.07 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 12 + HB2 ASN 13 OK 100 100 100 100 5.3-5.8 6085/176=97...(5) QB ALA 15 + HB2 ASN 13 OK 57 71 95 85 4.1-7.3 10659/6107=77...(3) HG2 LYS 19 - HB2 ASN 13 far 5 93 5 - 5.5-16.6 HG3 LYS 95 - HB2 ASN 13 far 0 60 0 - 7.4-44.0 QB ALA 21 - HB2 ASN 13 far 0 97 0 - 7.9-15.9 Violated in 0 structures by 0.00 A. Peak 11870 from aliabs.peaks (1.35, 2.77, 38.56 ppm; 5.47 A): 2 out of 4 assignments used, quality = 0.99: QB ALA 12 + HB3 ASN 13 OK 99 99 100 100 4.1-5.1 6085/6088=95...(5) QB ALA 15 + HB3 ASN 13 OK 23 63 45 80 4.9-8.3 10659/6108=66...(3) HG2 LYS 19 - HB3 ASN 13 far 4 89 5 - 4.3-18.1 QB ALA 21 - HB3 ASN 13 far 0 99 0 - 7.4-16.6 Violated in 0 structures by 0.00 A. Peak 11871 from aliabs.peaks (1.17, 4.27, 56.26 ppm; 4.37 A): 2 out of 16 assignments used, quality = 1.00: QG2 THR 18 + HA LYS 19 OK 99 100 100 99 2.8-2.9 6147/3.0=74, ~6146=46...(12) QG2 THR 25 + HA LYS 26 OK 85 95 90 99 3.4-5.6 6248/2.9=77, ~6247=45...(13) HG12 ILE 32 - HA LYS 26 poor 19 94 20 - 2.0-7.2 QG2 THR 25 - HA LYS 19 far 5 97 5 - 4.1-13.8 QG2 THR 25 - HA ARG 23 far 3 58 5 - 4.3-7.3 QB ALA 41 - HA LYS 36 far 0 50 0 - 5.5-6.5 HG12 ILE 32 - HA LYS 31 far 0 95 0 - 5.6-6.4 HG12 ILE 32 - HA ARG 23 far 0 57 0 - 5.8-13.0 QG2 THR 18 - HA ARG 23 far 0 63 0 - 6.3-9.7 QG2 THR 25 - HA LYS 31 far 0 96 0 - 7.8-13.1 QG2 VAL 77 - HA LYS 19 far 0 83 0 - 8.3-28.9 QG2 THR 18 - HA LYS 26 far 0 100 0 - 8.5-14.9 QG2 THR 18 - HA LYS 31 far 0 100 0 - 8.9-23.7 HG12 ILE 32 - HA LYS 36 far 0 48 0 - 9.0-10.4 QG2 THR 25 - HA LYS 36 far 0 49 0 - 9.4-15.4 QG2 VAL 77 - HA ARG 23 far 0 46 0 - 9.7-21.6 Violated in 0 structures by 0.00 A. Peak 11872 from aliabs.peaks (0.90, 4.27, 56.26 ppm; 4.84 A increased from 4.55 A): 3 out of 12 assignments used, quality = 0.99: QG1 VAL 20 + HA LYS 19 OK 96 96 100 100 4.3-4.9 6171/3.6=82...(13) QD1 LEU 22 + HA ARG 23 OK 56 59 95 100 3.9-5.8 10733/3.6=57, ~407=45...(18) QG2 VAL 20 + HA ARG 23 OK 37 63 60 97 2.0-6.8 10688=59, ~11783=34...(15) QD1 LEU 22 - HA LYS 26 poor 19 97 20 - 3.6-10.1 QD1 LEU 22 - HA LYS 19 far 15 98 15 - 4.3-8.4 QG1 VAL 20 - HA ARG 23 poor 11 57 20 - 4.5-8.4 QG2 VAL 20 - HA LYS 31 far 5 100 5 - 4.6-19.9 QG2 VAL 20 - HA LYS 26 far 5 99 5 - 4.7-11.8 QG1 VAL 20 - HA LYS 31 far 5 95 5 - 5.0-19.8 QG2 VAL 20 - HA LYS 19 far 0 100 0 - 5.5-6.1 QG1 VAL 20 - HA LYS 26 far 0 94 0 - 6.2-12.6 QD1 LEU 22 - HA LYS 31 far 0 98 0 - 7.3-19.3 Violated in 0 structures by 0.00 A. Peak 11873 from aliabs.peaks (2.95, 4.27, 56.26 ppm; 5.10 A increased from 4.08 A): 8 out of 35 assignments used, quality = 1.00: HE2 LYS 31 + HA LYS 31 OK 96 99 100 98 2.1-5.2 6.5=49, 3.7/822=33...(27) HE3 LYS 31 + HA LYS 31 OK 93 100 95 98 2.0-5.9 6.5=49, 3.7/822=33...(27) HE3 LYS 26 + HA LYS 26 OK 87 96 95 95 3.0-6.3 6.6=46, 3.6/627=28...(22) HE3 LYS 19 + HA LYS 19 OK 69 100 70 98 4.9-6.3 6.4=51, 3.8/271=29...(35) HE3 LYS 36 + HA LYS 36 OK 40 51 80 99 5.0-6.5 6.0=63, 1064/3.0=38...(23) HE2 LYS 26 + HA LYS 26 OK 33 98 35 96 3.7-6.4 6.6=46, 3.6/627=28...(23) HE2 LYS 19 + HA LYS 19 OK 29 100 30 98 5.1-6.2 6.4=51, 3.8/271=29...(35) HE2 LYS 36 + HA LYS 36 OK 20 51 40 99 5.2-6.5 6.0=63, 1064/3.0=36...(23) HE3 LYS 24 - HA LYS 19 far 5 100 5 - 5.0-13.6 HE2 LYS 24 - HA ARG 23 far 3 63 5 - 5.3-8.2 HE3 LYS 24 - HA ARG 23 far 3 62 5 - 4.4-8.2 HE2 LYS 31 - HA ARG 23 far 3 61 5 - 5.0-20.1 HE3 LYS 26 - HA ARG 23 far 3 59 5 - 5.5-9.8 HE2 LYS 26 - HA LYS 36 far 3 52 5 - 4.3-11.5 HE3 LYS 26 - HA LYS 36 far 0 50 0 - 5.8-13.1 HE3 LYS 31 - HA ARG 23 far 0 63 0 - 5.8-19.4 HE2 LYS 24 - HA LYS 19 far 0 100 0 - 5.8-13.5 HE3 LYS 31 - HA LYS 19 far 0 100 0 - 6.3-26.2 HE2 LYS 26 - HA LYS 31 far 0 99 0 - 6.4-11.5 HE2 LYS 26 - HA ARG 23 far 0 61 0 - 6.5-11.3 HE3 LYS 26 - HA LYS 31 far 0 97 0 - 6.8-12.3 HE2 LYS 31 - HA LYS 19 far 0 99 0 - 7.1-26.6 HE3 LYS 36 - HA LYS 31 far 0 98 0 - 7.4-9.6 HE3 LYS 31 - HA LYS 26 far 0 100 0 - 7.5-15.0 HE2 LYS 36 - HA LYS 31 far 0 98 0 - 7.6-9.8 HE2 LYS 31 - HA LYS 26 far 0 98 0 - 8.2-15.4 HE3 LYS 24 - HA LYS 26 far 0 99 0 - 8.6-11.9 HE3 LYS 19 - HA LYS 31 far 0 100 0 - 8.7-28.4 HE3 LYS 19 - HA ARG 23 far 0 63 0 - 9.0-13.3 HE2 LYS 19 - HA ARG 23 far 0 63 0 - 9.2-14.1 HE2 LYS 24 - HA LYS 26 far 0 100 0 - 9.3-11.8 HE3 LYS 86 - HA LYS 19 far 0 100 0 - 9.3-33.7 HE3 LYS 26 - HA LYS 19 far 0 97 0 - 9.6-19.2 HE2 LYS 19 - HA LYS 26 far 0 99 0 - 9.6-18.3 HE2 LYS 19 - HA LYS 31 far 0 100 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 11874 from aliabs.peaks (3.99, 0.93, 23.87 ppm; 3.15 A): 1 out of 13 assignments used, quality = 0.90: HA SER 50 + QD1 LEU 123 OK 90 97 100 93 1.8-2.2 11636/2.1=43...(21) HA THR 65 - QD1 LEU 48 poor 8 42 20 - 3.6-4.3 HA GLN 127 - QD1 LEU 123 far 0 87 0 - 3.9-4.1 HB3 SER 124 - QD1 LEU 123 far 0 68 0 - 4.4-4.9 HB2 SER 124 - QD1 LEU 123 far 0 100 0 - 5.1-5.6 HB3 SER 51 - QD1 LEU 123 far 0 100 0 - 6.2-7.6 HB3 SER 51 - QD1 LEU 48 far 0 51 0 - 6.4-6.8 HA GLN 68 - QD1 LEU 48 far 0 42 0 - 6.4-7.6 HA SER 50 - QD1 LEU 48 far 0 48 0 - 8.5-8.7 HB3 SER 99 - QD1 LEU 123 far 0 97 0 - 8.8-9.7 HA GLN 127 - QD1 LEU 48 far 0 40 0 - 9.2-10.2 HA LEU 100 - QD1 LEU 123 far 0 78 0 - 9.7-11.2 HA THR 65 - QD1 LEU 123 far 0 90 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 11875 from aliabs.peaks (1.19, 3.06, 41.48 ppm; 3.93 A): 1 out of 4 assignments used, quality = 1.00: QG2 VAL 77 + HE2 LYS 86 OK 100 100 100 100 1.8-4.0 11196=100, 9660/1.8=71...(20) HG12 ILE 80 - HE2 LYS 86 far 0 73 0 - 4.8-7.1 QG2 THR 18 - HE2 LYS 86 far 0 78 0 - 8.9-28.7 QG2 THR 25 - HE2 LYS 86 far 0 97 0 - 9.6-17.8 Violated in 2 structures by 0.01 A. Peak 11876 from aliabs.peaks (1.06, 3.06, 41.48 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 77 + HE2 LYS 86 OK 100 100 100 100 2.0-4.3 11201=98, 2.1/11196=81...(20) QG2 VAL 133 - HE2 LYS 86 far 0 92 0 - 7.0-8.4 Violated in 0 structures by 0.00 A. Peak 11877 from aliabs.peaks (0.82, 3.06, 41.48 ppm; 5.03 A increased from 4.47 A): 1 out of 6 assignments used, quality = 1.00: QG2 ILE 80 + HE2 LYS 86 OK 100 100 100 100 2.3-5.0 11243=95, 11240/2695=69...(31) HG13 ILE 80 - HE2 LYS 86 poor 20 99 20 - 4.5-6.9 QD2 LEU 22 - HE2 LYS 86 far 0 78 0 - 6.4-22.4 QG1 VAL 133 - HE2 LYS 86 far 0 83 0 - 7.6-10.4 QG2 ILE 129 - HE2 LYS 86 far 0 100 0 - 7.8-9.5 QD1 LEU 70 - HE2 LYS 86 far 0 99 0 - 9.7-12.4 Violated in 0 structures by 0.00 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 3.6-4.6 11220=100, 9649/11196=79...(35) QG2 VAL 93 - HE2 LYS 86 far 0 73 0 - 7.0-9.2 Violated in 0 structures by 0.00 A. Peak 11879 from aliabs.peaks (1.75, 3.89, 60.61 ppm; 4.66 A): 2 out of 3 assignments used, quality = 0.93: HB ILE 80 + HA LYS 86 OK 90 90 100 100 3.2-3.7 2.1/9819=89, 3.2/9727=80...(32) HG3 ARG 90 + HA LYS 86 OK 32 93 35 97 5.0-6.8 11303/11193=57...(11) HG13 ILE 129 - HA LYS 86 far 0 99 0 - 7.8-11.1 Violated in 0 structures by 0.00 A. Peak 11880 from aliabs.peaks (8.28, 3.96, 57.71 ppm; 5.51 A): 1 out of 5 assignments used, quality = 0.94: H SER 99 + HA LEU 100 OK 94 96 100 98 5.0-5.4 7407/3.6=70, ~7397=52...(10) H LEU 123 - HA LEU 100 far 0 96 0 - 7.5-8.8 H LEU 96 - HA LEU 100 far 0 100 0 - 8.3-9.1 H VAL 126 - HA LEU 100 far 0 100 0 - 9.0-9.9 H LEU 69 - HA LEU 100 far 0 85 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 11881 from aliabs.peaks (1.58, 0.68, 23.19 ppm; 4.06 A increased from 3.82 A): 5 out of 13 assignments used, quality = 0.99: HB2 LEU 103 + QD2 LEU 100 OK 73 79 100 92 4.0-4.6 11509/9386=31...(17) HG LEU 49 + QD2 LEU 62 OK 71 95 100 75 3.6-4.2 10992/9432=40...(8) HG LEU 122 + QD2 LEU 100 OK 60 64 95 99 2.0-4.8 ~9487=55, ~9487=39...(28) HB2 LEU 122 + QD2 LEU 100 OK 50 56 90 98 3.6-5.3 ~9487=39, ~9487=28...(30) HG LEU 103 + QD2 LEU 100 OK 23 50 60 79 4.0-5.1 3.0/3261=22...(14) HG LEU 70 - QD2 LEU 100 far 0 50 0 - 4.8-5.6 HB2 LEU 122 - QD2 LEU 62 far 0 76 0 - 4.8-7.0 HG LEU 49 - QD2 LEU 100 far 0 74 0 - 5.0-5.7 HG LEU 122 - QD2 LEU 62 far 0 85 0 - 5.3-6.7 HG LEU 103 - QD2 LEU 62 far 0 68 0 - 6.5-7.2 HB2 LEU 103 - QD2 LEU 62 far 0 99 0 - 7.1-7.8 HG LEU 123 - QD2 LEU 62 far 0 85 0 - 7.1-7.8 HG LEU 123 - QD2 LEU 100 far 0 64 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 11882 from aliabs.peaks (1.58, 0.60, 25.59 ppm; 4.60 A): 3 out of 8 assignments used, quality = 0.95: HB2 LEU 122 + QD1 LEU 100 OK 68 68 100 100 3.5-4.9 3.1/9487=84...(30) HG LEU 122 + QD1 LEU 100 OK 63 78 80 100 3.2-5.4 2.1/9487=96...(27) HG LEU 70 + QD1 LEU 100 OK 60 60 100 99 2.5-3.3 2.1/11115=94...(12) HG LEU 49 - QD1 LEU 100 far 0 97 0 - 5.4-6.2 HB2 LEU 103 - QD1 LEU 100 far 0 100 0 - 6.0-6.4 HG LEU 103 - QD1 LEU 100 far 0 76 0 - 6.6-7.6 HG LEU 123 - QD1 LEU 100 far 0 90 0 - 9.7-11.2 HG2 ARG 23 - QD1 LEU 100 far 0 85 0 - 9.9-27.2 Violated in 0 structures by 0.00 A. Peak 11883 from aliabs.peaks (4.45, 1.39, 19.10 ppm; 3.91 A increased from 3.48 A): 2 out of 7 assignments used, quality = 0.90: HA SER 106 + QB ALA 108 OK 87 91 100 96 3.3-3.9 11532=74, 3.6/10101=43...(8) HA PRO 58 + QB ALA 109 OK 23 100 35 65 3.8-5.6 6709/9349=33, 10925=21...(7) HA PRO 58 - QB ALA 110 far 5 97 5 - 4.3-5.9 HA SER 106 - QB ALA 109 far 0 99 0 - 5.5-7.5 HA PRO 58 - QB ALA 108 far 0 93 0 - 8.0-9.5 HA SER 106 - QB ALA 110 far 0 96 0 - 8.3-10.8 HA ASN 120 - QB ALA 109 far 0 68 0 - 9.9-11.2 Violated in 0 structures by 0.00 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 3.8-4.5 10639=90, 1.8/10638=80...(20) HB2 ARG 84 - HA VAL 132 far 0 100 0 - 7.0-9.2 HB2 LYS 86 - HA VAL 132 far 0 89 0 - 9.2-10.2 Violated in 0 structures by 0.00 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 3.9-4.6 10638=97, 1.8/11884=80...(20) HB3 ARG 84 - HA VAL 132 far 0 99 0 - 7.5-9.2 Violated in 0 structures by 0.00 A. Peak 11886 from aliabs.peaks (1.13, 2.19, 31.57 ppm; 4.40 A): 2 out of 4 assignments used, quality = 0.73: HG3 LYS 39 + HB VAL 133 OK 65 65 100 99 3.1-4.5 11680/2.1=43...(19) HG2 LYS 39 + HB VAL 133 OK 24 100 25 98 3.7-6.0 11680/2.1=49, ~11680=31...(18) QG2 VAL 132 - HB VAL 133 far 0 99 0 - 5.1-5.6 QG1 VAL 132 - HB VAL 133 far 0 99 0 - 5.3-6.0 Violated in 0 structures by 0.00 A. Peak 11887 from aliabs.peaks (1.14, 3.77, 64.98 ppm; 4.42 A increased from 4.16 A): 3 out of 4 assignments used, quality = 0.97: QG1 VAL 132 + HA VAL 133 OK 95 95 100 100 4.1-4.4 10538=67, 11738/9726=56...(26) HG2 LYS 39 + HA VAL 133 OK 34 99 35 96 4.3-7.0 11778/3.2=42, ~11886=31...(16) HG3 LYS 39 + HA VAL 133 OK 20 83 25 97 4.4-5.4 11886/3.0=45...(16) QG2 VAL 132 - HA VAL 133 far 0 100 0 - 5.2-5.4 Violated in 0 structures by 0.00 A. Peak 11888 from aliabs.peaks (6.47, 1.55, 27.60 ppm; 6.80 A increased from 6.27 A): 1 out of 1 assignment used, quality = 0.98: QE TYR 76 + HG13 ILE 37 OK 98 99 100 100 6.4-7.0 ~10841=84, ~9019=53...(10) Violated in 1 structures by 0.01 A. Peak 11889 from aliabs.peaks (6.80, 1.55, 27.60 ppm; 6.49 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 72 + HG13 ILE 37 OK 100 100 100 100 2.8-5.5 10840/2.1=99...(17) HE21 GLN 68 - HG13 ILE 37 far 0 95 0 - 9.4-13.4 Violated in 0 structures by 0.00 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 2.4-3.1 2.2/9110=76...(18) Violated in 0 structures by 0.00 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 1.9-2.6 11890/2.1=64...(17) Violated in 0 structures by 0.00 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 4.3-4.8 2.2/11890=100...(12) Violated in 0 structures by 0.00 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 5.2-5.5 2.2/9111=97...(18) HE21 GLN 68 - QD1 LEU 42 far 0 90 0 - 7.8-9.5 HE21 GLN 127 - QD1 LEU 42 far 0 78 0 - 9.6-13.8 Violated in 0 structures by 0.00 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 4.5-4.9 4251/10587=87...(9) H ASP 71 - QD2 LEU 42 far 0 100 0 - 8.2-8.5 H GLU 91 - QD2 LEU 42 far 0 97 0 - 9.5-10.0 Violated in 1 structures by 0.00 A. Peak 11895 from aliabs.peaks (6.80, 3.47, 59.85 ppm; 5.46 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 72 + HA LEU 42 OK 100 100 100 100 3.7-4.8 2.2/9113=93, 11131=74...(12) HE21 GLN 68 - HA LEU 42 far 0 90 0 - 7.1-8.9 Violated in 0 structures by 0.00 A. Peak 11896 from aliabs.peaks (3.84, 0.68, 25.73 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.99: HA GLU 40 + QD1 LEU 43 OK 99 99 100 100 2.4-3.9 9055=94, 1245/3.2=58...(18) HB2 SER 130 + QD1 LEU 43 OK 59 85 70 100 3.9-6.2 11805/2.1=84, ~10509=56...(18) HD2 PRO 81 - QD1 LEU 43 far 0 93 0 - 6.9-8.2 HB2 SER 50 - QD1 LEU 43 far 0 93 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 11897 from aliabs.peaks (3.86, 0.74, 22.24 ppm; 3.69 A): 0 out of 5 assignments used, quality = 0.00: HA GLU 40 - QD2 LEU 43 far 0 68 0 - 4.8-5.0 HD2 PRO 81 - QD2 LEU 43 far 0 100 0 - 7.1-8.2 HB3 SER 50 - QD2 LEU 43 far 0 76 0 - 7.4-8.7 HA LEU 70 - QD2 LEU 43 far 0 71 0 - 9.8-11.1 HA LEU 123 - QD2 LEU 43 far 0 100 0 - 9.8-10.7 Violated in 20 structures by 1.08 A. Peak 11898 from aliabs.peaks (4.04, 0.68, 25.73 ppm; 5.78 A increased from 5.44 A): 1 out of 4 assignments used, quality = 0.99: HA GLU 44 + QD1 LEU 43 OK 99 99 100 100 5.6-5.7 2.8/6523=86...(11) HA ARG 135 - QD1 LEU 43 far 0 87 0 - 6.8-8.2 HD3 PRO 81 - QD1 LEU 43 far 0 100 0 - 7.0-8.2 HA ILE 37 - QD1 LEU 43 far 0 92 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 11899 from aliabs.peaks (4.36, 0.68, 25.73 ppm; 4.72 A): 1 out of 4 assignments used, quality = 0.99: HA GLN 134 + QD1 LEU 43 OK 99 99 100 100 3.3-4.2 11682/2.1=72...(18) HA ASP 47 - QD1 LEU 43 far 0 78 0 - 6.5-8.0 HA CYS 73 - QD1 LEU 43 far 0 87 0 - 8.9-9.6 HA LEU 69 - QD1 LEU 43 far 0 97 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 11900 from aliabs.peaks (4.03, 0.74, 22.24 ppm; 5.66 A increased from 5.03 A): 1 out of 5 assignments used, quality = 0.93: HA GLU 44 + QD2 LEU 43 OK 93 93 100 100 5.2-5.7 2.8/6524=87, 4.9/1345=75...(13) HA ARG 135 - QD2 LEU 43 far 0 97 0 - 6.8-7.8 HD3 PRO 81 - QD2 LEU 43 far 0 98 0 - 7.5-8.7 HB2 SER 38 - QD2 LEU 43 far 0 73 0 - 7.7-9.1 HA ILE 37 - QD2 LEU 43 far 0 99 0 - 8.8-10.1 Violated in 2 structures by 0.01 A. Peak 11901 from aliabs.peaks (1.17, 0.68, 25.73 ppm; 3.55 A): 1 out of 4 assignments used, quality = 0.97: HG3 LYS 39 + QD1 LEU 43 OK 97 100 100 97 1.8-2.8 11073/2.1=49...(33) QB ALA 41 - QD1 LEU 43 far 0 97 0 - 5.7-7.0 QG2 VAL 132 - QD1 LEU 43 far 0 68 0 - 6.5-7.8 QG2 VAL 77 - QD1 LEU 43 far 0 83 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 11902 from aliabs.peaks (1.06, 0.68, 25.73 ppm; 4.44 A increased from 3.95 A): 1 out of 1 assignment used, quality = 0.92: QG2 VAL 133 + QD1 LEU 43 OK 92 92 100 100 4.1-4.5 2.1/11677=93...(28) Violated in 3 structures by 0.01 A. Peak 11903 from aliabs.peaks (1.37, 0.68, 25.73 ppm; 5.11 A increased from 4.31 A): 1 out of 1 assignment used, quality = 1.00: HB2 LEU 42 + QD1 LEU 43 OK 100 100 100 100 4.7-5.3 6500/6509=66, ~9129=62...(8) Violated in 3 structures by 0.01 A. Peak 11904 from aliabs.peaks (4.13, 2.04, 30.10 ppm; 4.97 A increased from 4.68 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 52 + HB3 GLU 55 OK 100 100 100 100 2.5-4.9 9238/1.8=92...(7) HA LEU 49 - HB3 GLU 55 far 0 71 0 - 7.7-10.2 Violated in 0 structures by 0.00 A. Peak 11905 from aliabs.peaks (4.13, 1.99, 30.10 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: HA ALA 52 + HB2 GLU 55 OK 100 100 100 100 3.9-4.5 9238=96, 11904/1.8=71...(10) HA LEU 49 - HB2 GLU 55 far 0 65 0 - 9.1-9.9 HA3 GLY 114 - HB2 GLU 55 far 0 97 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 11906 from aliabs.peaks (1.50, 0.91, 26.02 ppm; 4.11 A): 2 out of 4 assignments used, quality = 0.96: QB ALA 52 + QD1 LEU 62 OK 84 85 100 99 3.4-4.0 10996/2.1=75, 9231=46...(11) HB2 LEU 53 + QD1 LEU 62 OK 75 76 100 99 3.5-4.7 ~10338=41, 3.0/11727=40...(20) HB2 LEU 49 - QD1 LEU 62 far 0 100 0 - 6.1-7.3 HG LEU 69 - QD1 LEU 62 far 0 89 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 11907 from aliabs.peaks (4.13, 1.23, 22.77 ppm; 3.67 A): 3 out of 4 assignments used, quality = 0.99: HA CYS 45 + QG2 THR 65 OK 86 96 95 94 3.6-4.3 9155=53, 1437/10991=30...(14) HA LEU 49 + QG2 THR 65 OK 84 85 100 99 2.3-3.1 2.9/11703=47...(17) HA LEU 48 + QG2 THR 65 OK 63 68 95 98 3.9-4.3 3.0/10991=49...(18) HA ALA 52 - QG2 THR 65 far 0 100 0 - 6.2-6.6 Violated in 0 structures by 0.00 A. Peak 11910 from aliabs.peaks (4.32, 1.83, 26.84 ppm; 6.44 A): 2 out of 6 assignments used, quality = 0.98: HA TYR 76 + HB2 CYS 79 OK 96 96 100 100 3.6-4.0 11162/7064=88...(7) HA PRO 81 + HB2 CYS 79 OK 50 99 100 51 6.0-6.5 4.9/2427=36, 11280/11214=22 HA LYS 24 - HB2 CYS 79 far 5 97 5 - 6.8-22.9 HA2 GLY 75 - HB2 CYS 79 far 0 99 0 - 7.1-7.8 HA ALA 21 - HB2 CYS 79 far 0 73 0 - 8.6-27.7 HA THR 25 - HB2 CYS 79 far 0 60 0 - 9.3-19.5 Violated in 0 structures by 0.00 A. Peak 11911 from aliabs.peaks (4.33, 2.60, 26.84 ppm; 5.46 A): 1 out of 4 assignments used, quality = 0.69: HA TYR 76 + HB3 CYS 79 OK 69 71 100 98 2.4-2.8 3.1/9705=61...(7) HA2 GLY 75 - HB3 CYS 79 lone 1 99 100 1 5.4-6.1 HA LYS 24 - HB3 CYS 79 far 0 100 0 - 6.6-21.7 HA PRO 81 - HB3 CYS 79 far 0 100 0 - 7.4-7.8 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 2.0-3.4 1.8/11913=78...(15) HB2 GLU 128 - HA ALA 88 far 0 99 0 - 7.9-9.6 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 1.8-3.4 1.8/11912=77...(16) HB2 GLN 82 - HA ALA 88 far 0 99 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 11914 from aliabs.peaks (0.75, 1.43, 18.11 ppm; 3.98 A increased from 3.54 A): 2 out of 5 assignments used, quality = 0.96: HG12 ILE 129 + QB ALA 92 OK 94 99 95 100 1.8-4.7 2.1/10491=87, 10483=62...(21) QD2 LEU 96 + QB ALA 92 OK 38 100 40 94 4.3-5.0 4164/10491=38...(16) QG1 VAL 93 - QB ALA 92 far 0 100 0 - 4.9-5.1 QD1 LEU 96 - QB ALA 92 far 0 83 0 - 5.7-6.5 QD2 LEU 43 - QB ALA 92 far 0 98 0 - 7.5-8.2 Violated in 1 structures by 0.00 A. Peak 11915 from aliabs.peaks (0.84, 2.24, 40.82 ppm; 5.41 A): 2 out of 4 assignments used, quality = 0.99: QD2 LEU 70 + HB3 LEU 96 OK 93 93 100 100 3.6-4.1 11916/1.8=96...(20) QG2 ILE 129 + HB3 LEU 96 OK 85 85 100 100 4.9-5.6 3.0/10492=92, 9714=53...(19) QD2 LEU 69 - HB3 LEU 96 far 0 76 0 - 6.9-7.2 QD1 LEU 98 - HB3 LEU 96 far 0 90 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 11916 from aliabs.peaks (0.85, 1.38, 40.82 ppm; 4.54 A increased from 4.27 A): 1 out of 4 assignments used, quality = 0.96: QD2 LEU 70 + HB2 LEU 96 OK 96 97 100 100 4.2-4.4 11106/3.0=80...(16) QG2 ILE 129 - HB2 LEU 96 far 0 78 0 - 5.6-6.2 QD2 LEU 69 - HB2 LEU 96 far 0 83 0 - 6.3-6.7 QD1 LEU 98 - HB2 LEU 96 far 0 95 0 - 8.0-8.9 Violated in 0 structures by 0.00 A. Peak 11917 from aliabs.peaks (0.84, 1.40, 27.00 ppm; 4.13 A): 2 out of 5 assignments used, quality = 0.96: QD2 LEU 70 + HG LEU 96 OK 89 89 100 100 1.8-1.9 11114=83, 2.1/11105=53...(20) QD1 LEU 70 + HG LEU 96 OK 63 63 100 100 3.7-4.0 2.1/11106=89...(23) QG2 ILE 129 - HG LEU 96 far 0 90 0 - 5.9-6.7 QD2 LEU 69 - HG LEU 96 far 0 68 0 - 6.1-6.6 QD1 LEU 98 - HG LEU 96 far 0 85 0 - 7.1-8.2 Violated in 0 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 = 1.00: QD1 LEU 100 + HG LEU 96 OK 100 100 100 100 2.7-3.3 11115/11106=82...(29) Violated in 0 structures by 0.00 A. Peak 11919 from aliabs.peaks (0.67, 1.40, 27.00 ppm; 5.05 A): 2 out of 3 assignments used, quality = 0.98: QD1 ILE 129 + HG LEU 96 OK 90 90 100 100 4.0-4.8 10492/3.0=73...(27) QD2 LEU 100 + HG LEU 96 OK 80 96 85 99 5.0-5.8 2.1/11918=82, ~11388=30...(17) QD2 LEU 62 - HG LEU 96 far 0 97 0 - 9.4-10.1 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 1.9-3.9 1.8/11655=100, ~9986=75...(33) HA VAL 93 + HB3 LEU 96 OK 63 63 100 100 2.1-2.5 3.2/9973=70, 3.6/9226=68...(34) 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 3 assignments used, quality = 0.89: HB3 CYS 125 + HG LEU 96 OK 89 89 100 100 4.5-5.7 ~9986=91, ~9986=90...(24) HD3 ARG 90 - HG LEU 96 far 0 81 0 - 8.5-11.6 HD2 ARG 90 - HG LEU 96 far 0 87 0 - 9.2-12.0 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 4 assignments used, quality = 1.00: QG1 VAL 133 + HG LEU 42 OK 99 99 100 100 5.2-5.5 10585/2.1=96...(22) QD2 LEU 69 + HG LEU 42 OK 83 83 100 100 3.9-4.5 2.1/9078=86, ~11039=74...(21) QG2 ILE 129 + HG LEU 42 OK 78 78 100 99 4.0-5.0 9083/2.1=81...(9) QD2 LEU 70 - HG LEU 42 far 0 97 0 - 7.3-7.6 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 2 assignments used, quality = 0.00: QB ALA 109 - QG2 VAL 57 far 0 85 0 - 6.5-7.5 QB ALA 110 - QG2 VAL 57 far 0 93 0 - 7.8-9.1 Violated in 20 structures by 2.76 A. Peak 11924 from aliabs.peaks (1.36, 0.94, 21.27 ppm; 3.72 A): 0 out of 8 assignments used, quality = 0.00: QB ALA 108 - QG1 VAL 105 far 0 52 0 - 5.6-6.7 HB3 LEU 100 - QG1 VAL 105 far 0 60 0 - 6.0-6.9 QB ALA 15 - QG1 VAL 105 far 0 48 0 - 6.9-29.4 QB ALA 109 - QG1 VAL 57 far 0 68 0 - 7.5-8.8 QB ALA 110 - QG1 VAL 57 far 0 81 0 - 7.8-9.0 QB ALA 12 - QG1 VAL 105 far 0 67 0 - 8.5-27.3 QB ALA 109 - QG1 VAL 105 far 0 38 0 - 8.6-9.0 QB ALA 110 - QG1 VAL 105 far 0 47 0 - 9.7-11.4 Violated in 20 structures by 1.70 A. Peak 11925 from aliabs.peaks (7.14, 2.61, 39.26 ppm; 5.46 A): 1 out of 2 assignments used, quality = 0.97: QD TYR 72 + HB2 ASP 71 OK 97 98 100 99 2.9-5.6 6983/6978=75...(8) HD2 HIS 67 - HB2 ASP 71 far 0 89 0 - 7.6-9.8 Violated in 4 structures by 0.02 A. Peak 11926 from aliabs.peaks (7.13, 2.81, 39.26 ppm; 6.27 A): 1 out of 2 assignments used, quality = 1.00: QD TYR 72 + HB3 ASP 71 OK 100 100 100 100 3.8-4.9 11128=100, 6983/6979=93...(10) HD2 HIS 67 - HB3 ASP 71 far 0 65 0 - 7.3-8.9 Violated in 0 structures by 0.00 A. Peak 11927 from aliabs.peaks (7.14, 4.42, 57.33 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.98: QD TYR 72 + HA ASP 71 OK 98 98 100 100 4.7-5.8 6983/3.6=97...(7) HD2 HIS 67 - HA ASP 71 far 0 89 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 11928 from aliabs.peaks (2.19, 2.61, 39.26 ppm; 6.06 A increased from 5.10 A): 2 out of 4 assignments used, quality = 0.96: HB3 GLN 68 + HB2 ASP 71 OK 93 93 100 100 5.6-6.3 11114/1.8=99...(16) HB2 GLN 68 + HB2 ASP 71 OK 44 73 60 100 5.7-6.9 3.0/2128=95, ~11114=86...(13) HG2 GLN 68 - HB2 ASP 71 far 0 81 0 - 6.8-7.4 HB3 GLU 97 - HB2 ASP 71 far 0 71 0 - 9.1-11.4 Violated in 0 structures by 0.00 A. Peak 11929 from aliabs.peaks (0.30, 4.27, 61.07 ppm; 5.94 A): 1 out of 2 assignments used, quality = 0.41: QG2 VAL 93 + HA SER 74 OK 41 41 100 100 4.5-5.1 9576/2.9=84, ~9575=69...(15) QG2 VAL 93 - HA PHE 87 far 0 98 0 - 7.3-8.0 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 2 assignments used, quality = 0.00: QG2 VAL 133 - HA ALA 88 far 0 100 0 - 8.5-9.1 QG1 VAL 77 - HA ALA 88 far 0 89 0 - 8.6-9.0 Violated in 20 structures by 3.01 A. Peak 11931 from aliabs.peaks (1.17, 1.74, 27.95 ppm; 4.21 A): 1 out of 4 assignments used, quality = 0.83: QG2 VAL 77 + HG3 ARG 90 OK 83 83 100 100 2.5-3.3 2.1/9651=77, 9662/1.8=69...(30) QG2 THR 18 - HG3 ARG 90 far 0 100 0 - 7.7-29.9 QG2 VAL 132 - HG3 ARG 90 far 0 68 0 - 7.9-8.7 QG2 THR 25 - HG3 ARG 90 far 0 97 0 - 9.5-20.3 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 2.7-3.7 9651=91, 9652/1.8=89...(29) QG2 VAL 133 - HG3 ARG 90 far 0 85 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 11933 from aliabs.peaks (0.29, 1.74, 27.95 ppm; 6.14 A increased from 5.78 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HG3 ARG 90 OK 100 100 100 100 3.9-6.3 9953/2788=95...(17) QD1 ILE 80 + HG3 ARG 90 OK 81 81 100 100 5.5-6.0 9648/9651=83...(12) Violated in 0 structures by 0.00 A. Peak 11934 from aliabs.peaks (0.29, 3.17, 43.17 ppm; 4.85 A): 3 out of 6 assignments used, quality = 0.99: QG2 VAL 93 + HD2 ARG 90 OK 85 100 85 100 3.1-6.1 11415=58, 9953/5.2=53...(21) QG2 VAL 93 + HD3 ARG 90 OK 85 100 85 100 3.5-6.3 9953/5.2=53...(21) QD1 ILE 80 + HD2 ARG 90 OK 76 81 100 94 4.6-5.2 11226/3.0=49, 11219=44...(9) QD1 ILE 80 - HD3 ARG 90 far 4 80 5 - 5.4-6.5 QD1 ILE 80 - HD3 ARG 23 far 0 66 0 - 8.8-25.8 QD1 ILE 80 - HD2 ARG 23 far 0 69 0 - 9.9-25.9 Violated in 0 structures by 0.00 A. Peak 11935 from aliabs.peaks (1.18, 2.02, 27.95 ppm; 3.78 A): 2 out of 6 assignments used, quality = 1.00: QG2 VAL 77 + HG2 ARG 90 OK 100 100 100 100 1.7-2.0 9662=93, 11303/1.8=63...(26) QB ALA 41 + HB3 GLU 40 OK 83 83 100 100 3.8-3.9 10857=82, 3.0/6471=56...(19) QB ALA 41 - HB2 GLU 44 far 0 65 0 - 5.9-6.3 HG3 LYS 39 - HB3 GLU 40 far 0 63 0 - 6.2-7.3 QG2 THR 18 - HG2 ARG 90 far 0 90 0 - 9.1-30.7 HG3 LYS 39 - HB2 GLU 44 far 0 48 0 - 9.5-11.2 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 2.5-3.6 9652=96, 9651/1.8=95...(24) QG2 VAL 133 - HG2 ARG 90 far 0 83 0 - 7.0-8.0 QG2 VAL 133 - HB3 GLU 40 far 0 63 0 - 8.3-8.7 QG2 VAL 133 - HB2 GLU 44 far 0 48 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 11937 from aliabs.peaks (0.77, 2.24, 35.20 ppm; 4.22 A): 3 out of 7 assignments used, quality = 0.99: QG1 VAL 93 + HG2 GLU 97 OK 91 92 100 100 2.4-2.7 11849/1.8=81...(17) QD2 LEU 96 + HG2 GLU 97 OK 90 90 100 100 2.2-4.4 3098/3133=44, ~10010=42...(26) QD1 LEU 96 + HG2 GLU 97 OK 30 99 30 100 4.4-5.4 ~10010=42, 11451/3.8=40...(25) QD2 LEU 122 - HG2 GLU 97 far 0 81 0 - 5.4-8.4 HG12 ILE 129 - HG2 GLU 97 far 0 85 0 - 8.1-9.1 QG1 VAL 63 - HG2 GLU 97 far 0 89 0 - 9.1-10.0 QD1 LEU 53 - HG2 GLU 97 far 0 63 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 11938 from aliabs.peaks (0.75, 2.40, 35.20 ppm; 4.43 A): 2 out of 8 assignments used, quality = 1.00: QG1 VAL 93 + HG3 GLU 97 OK 100 100 100 100 3.0-4.0 9972=86, 9963/11358=46...(18) QD2 LEU 96 + HG3 GLU 97 OK 70 100 70 100 3.4-5.2 2.1/10010=62...(23) QD1 LEU 96 - HG3 GLU 97 far 0 85 0 - 5.1-5.6 QD2 LEU 43 - HG3 GLU 40 far 0 78 0 - 6.1-7.3 HG12 ILE 129 - HG3 GLU 97 far 0 99 0 - 8.5-10.0 QD2 LEU 103 - HG3 GLU 97 far 0 81 0 - 9.3-10.2 QG1 VAL 63 - HG3 GLU 97 far 0 63 0 - 9.4-10.1 QD1 ILE 37 - HG3 GLU 40 far 0 73 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 11939 from aliabs.peaks (2.07, 4.40, 61.45 ppm; 5.78 A increased from 4.62 A): 1 out of 4 assignments used, quality = 0.91: HG3 PRO 113 + HA THR 115 OK 91 92 100 100 4.0-5.6 10189/3636=79, ~11558=49...(11) HG3 PRO 117 - HA THR 115 far 0 81 0 - 7.7-8.5 HG2 PRO 117 - HA THR 115 far 0 81 0 - 8.3-8.8 HB VAL 118 - HA THR 115 far 0 99 0 - 9.1-9.3 Violated in 0 structures by 0.00 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 2.8-3.1 7929=95, 3.3/7917=73...(21) 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 1 assignment used, quality = 0.98: H VAL 132 + HB VAL 132 OK 98 98 100 100 2.8-3.0 3.8=100 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 1.9-2.9 10554/11764=53...(28) Violated in 0 structures by 0.00 A. Peak 11944 from aliabs.peaks (1.16, 1.97, 37.79 ppm; 4.94 A): 1 out of 5 assignments used, quality = 0.93: QB ALA 41 + HB ILE 37 OK 93 93 100 100 4.5-5.0 10910/2.1=98...(12) HG2 LYS 39 - HB ILE 37 far 0 65 0 - 7.7-10.1 HG3 LYS 39 - HB ILE 37 far 0 100 0 - 8.2-9.8 QG2 VAL 77 - HB ILE 37 far 0 73 0 - 8.4-9.2 QG2 THR 25 - HB ILE 37 far 0 92 0 - 9.4-15.8 Violated in 1 structures by 0.01 A. Peak 11945 from aliabs.peaks (2.25, 3.85, 50.95 ppm; 4.58 A): 1 out of 3 assignments used, quality = 0.52: HB2 PRO 81 + HD2 PRO 81 OK 52 52 100 100 3.9-3.9 3.0=100 HB VAL 132 - HD2 PRO 81 far 0 68 0 - 6.5-7.7 HB3 GLU 102 - HD2 PRO 117 far 0 66 0 - 7.8-10.5 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 3.0-3.0 3.0=100 HB VAL 132 - HD3 PRO 81 far 0 78 0 - 7.8-9.4 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 2 assignments used, quality = 0.87: HB3 PRO 81 + HD3 PRO 81 OK 87 87 100 100 3.9-3.9 3.0=100 HB3 LYS 86 - HD3 PRO 81 far 0 76 0 - 7.6-9.3 Violated in 0 structures by 0.00 A. Peak 11948 from aliabs.peaks (3.95, 0.78, 24.12 ppm; 6.80 A): 5 out of 9 assignments used, quality = 1.00: HB3 SER 107 + QD1 LEU 103 OK 99 99 100 100 1.8-3.8 7557/11486=84, 10106=75...(21) HA LEU 100 + QD1 LEU 103 OK 94 95 100 100 4.5-5.1 7463/4.8=83, 3370/3.2=50...(18) HB2 SER 106 + QD1 LEU 103 OK 92 92 100 100 4.0-5.6 4.0/11469=85...(16) HD3 PRO 117 + QD1 LEU 103 OK 88 100 100 88 5.2-6.0 7638/10256=41...(9) HB3 SER 106 + QD1 LEU 103 OK 63 63 100 100 4.1-6.2 4.0/11469=85, ~11536=71...(13) HA2 GLY 111 - QD1 LEU 103 lone 8 83 50 19 5.5-8.7 10117/11541=9, 10181/10195=8 HA3 GLY 111 - QD1 LEU 103 far 5 99 5 - 7.0-9.8 HD3 PRO 113 - QD1 LEU 103 far 0 92 0 - 9.1-10.6 HA THR 65 - QD1 LEU 103 far 0 85 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 11949 from aliabs.peaks (3.95, 0.73, 25.24 ppm; 6.80 A): 3 out of 8 assignments used, quality = 1.00: HB3 SER 107 + QD2 LEU 103 OK 99 100 100 99 3.6-5.3 10106/2.1=76...(17) HA LEU 100 + QD2 LEU 103 OK 97 97 100 100 2.8-3.4 7463/7477=90...(19) HB2 SER 106 + QD2 LEU 103 OK 71 96 80 93 6.3-8.0 11536/3.1=52, ~10096=41...(12) HB3 SER 106 - QD2 LEU 103 poor 14 71 20 - 6.4-8.4 HA THR 65 - QD2 LEU 103 far 14 90 15 - 7.3-7.9 HA2 GLY 111 - QD2 LEU 103 far 11 76 15 - 6.6-9.1 HD3 PRO 117 - QD2 LEU 103 far 5 100 5 - 7.3-8.0 HA3 GLY 111 - QD2 LEU 103 far 0 98 0 - 8.0-10.4 Violated in 0 structures by 0.00 A. Peak 11951 from aliabs.peaks (2.05, 0.81, 25.60 ppm; 6.80 A): 2 out of 12 assignments used, quality = 0.97: HB VAL 118 + QD1 LEU 122 OK 93 93 100 100 5.2-6.7 11594/11092=52...(21) HB2 LEU 62 + QD1 LEU 122 OK 51 99 100 52 3.8-6.9 3.0/10994=14, ~11926=9...(10) HB2 GLU 102 - QD1 LEU 122 far 9 57 15 - 5.3-8.7 QE MET 11 - QD1 LEU 70 far 3 65 5 - 5.3-26.0 HG2 ARG 90 - QD1 LEU 70 far 3 53 5 - 7.0-9.1 HB2 GLU 128 - QD1 LEU 122 far 0 60 0 - 7.5-10.1 HB2 GLN 127 - QD1 LEU 122 far 0 100 0 - 7.6-10.1 HG2 PRO 117 - QD1 LEU 122 far 0 100 0 - 7.8-9.9 HG2 PRO 58 - QD1 LEU 122 far 0 71 0 - 9.1-12.7 HG3 PRO 117 - QD1 LEU 122 far 0 100 0 - 9.2-11.3 QE MET 11 - QD1 LEU 122 far 0 73 0 - 9.5-31.0 HB2 GLU 102 - QD1 LEU 70 far 0 50 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 11952 from aliabs.peaks (0.68, 1.60, 27.00 ppm; 6.80 A): 4 out of 7 assignments used, quality = 1.00: QD2 LEU 100 + HG LEU 122 OK 100 100 100 100 2.0-4.8 ~9487=99, ~9487=72...(30) QD2 LEU 100 + HG LEU 70 OK 97 97 100 100 4.8-5.6 ~11107=99, ~11115=98...(12) QD2 LEU 62 + HG LEU 119 OK 69 69 100 100 5.5-6.1 ~10992=78, ~10951=64...(15) QD2 LEU 62 + HG LEU 122 OK 50 100 100 50 5.3-6.7 ~11951=21, ~11925=18...(5) QD1 ILE 129 - HG LEU 70 poor 13 55 45 54 6.8-7.7 11116/3.7=32, 11919/11105=30 QD2 LEU 100 - HG LEU 119 lone 1 69 45 3 6.6-7.9 QD1 ILE 129 - HG LEU 122 far 0 60 0 - 7.4-8.8 Violated in 0 structures by 0.00 A. Peak 11953 from aliabs.peaks (3.44, 1.13, 22.78 ppm; 6.80 A): 4 out of 7 assignments used, quality = 1.00: HA VAL 77 + QG1 VAL 132 OK 100 100 100 100 5.6-6.4 9725/11656=100...(10) HA ILE 129 + QG1 VAL 132 OK 98 98 100 100 4.2-4.9 4213/2.1=98...(26) HA ILE 129 + QG2 VAL 132 OK 68 68 100 100 1.8-2.7 4213/2.1=98...(32) HA VAL 126 + QG2 VAL 132 OK 66 67 100 98 6.5-7.0 10402/10490=87...(7) HA VAL 77 - QG2 VAL 132 poor 18 71 25 - 7.0-7.6 HA VAL 126 - QG1 VAL 132 far 0 97 0 - 8.8-9.3 HA LEU 42 - QG2 VAL 132 far 0 46 0 - 10.0-10.8 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): 4 out of 7 assignments used, quality = 1.00: QG2 VAL 132 + QD1 ILE 80 OK 98 98 100 100 4.4-4.9 2.1/9722=100...(30) QG1 VAL 132 + QD1 ILE 80 OK 81 81 100 100 2.7-3.4 2.1/9722=100, 11738=97...(28) HG3 LYS 39 + QD1 ILE 80 OK 65 96 80 85 6.4-7.5 11680/10586=39...(9) HG2 LYS 39 + QD1 ILE 80 OK 33 93 40 90 6.3-8.8 10850/9746=59...(9) QB ALA 41 - QD1 ILE 80 far 0 65 0 - 8.5-9.0 QG2 THR 25 - QD1 ILE 80 far 0 63 0 - 9.7-16.8 QG2 THR 18 - QD1 ILE 80 far 0 90 0 - 9.8-26.4 Violated in 0 structures by 0.00 A. Peak 11957 from aliabs.peaks (1.15, 0.81, 17.00 ppm; 6.80 A): 5 out of 9 assignments used, quality = 1.00: QG2 VAL 132 + QG2 ILE 80 OK 99 99 100 100 5.9-6.6 ~11738=91, ~11656=91...(26) QG1 VAL 132 + QG2 ILE 80 OK 87 87 100 100 3.8-4.6 11738/3.1=99...(28) QG2 VAL 132 + QG2 ILE 129 OK 86 86 100 100 3.1-3.9 11737/3.0=97...(28) QG1 VAL 132 + QG2 ILE 129 OK 70 70 100 100 4.4-5.0 ~10477=86, ~10490=80...(24) HG2 LYS 39 + QG2 ILE 80 OK 22 97 35 66 6.5-9.7 10850/9739=28, ~11956=14...(8) HG3 LYS 39 - QG2 ILE 129 poor 19 76 25 - 7.2-8.0 HG3 LYS 39 - QG2 ILE 80 far 5 92 5 - 6.9-8.7 HG2 LYS 39 - QG2 ILE 129 far 0 81 0 - 7.6-9.3 QG2 THR 18 - QG2 ILE 80 far 0 85 0 - 8.3-26.1 Violated in 0 structures by 0.00 A. Peak 11958 from aliabs.peaks (1.17, 1.74, 38.30 ppm; 6.80 A): 1 out of 4 assignments used, quality = 0.81: QG2 VAL 77 + HB ILE 80 OK 81 81 100 100 3.0-3.4 3.2/9645=92, ~9648=84...(42) QG2 VAL 132 - HB ILE 80 far 0 71 0 - 7.6-8.1 HG3 LYS 39 - HB ILE 80 far 0 100 0 - 8.4-10.2 QG2 THR 18 - HB ILE 80 far 0 100 0 - 9.6-30.0 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 4.5-5.5 2.1/9824=100...(27) QG2 VAL 133 - HB2 LYS 86 far 11 76 15 - 6.8-8.6 QG1 VAL 77 - HB3 LYS 19 far 8 76 10 - 4.1-27.3 Violated in 0 structures by 0.00 A. Peak 11960 from aliabs.peaks (4.00, 1.75, 30.64 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.99: HA VAL 20 + HB2 ARG 23 OK 99 99 100 100 2.0-6.1 11783/6203=98...(14) Violated in 0 structures by 0.00 A. Peak 11961 from aliabs.peaks (3.99, 1.82, 30.64 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: HA VAL 20 + HB3 ARG 23 OK 100 100 100 100 2.5-6.7 11783/434=90...(14) HA ARG 135 + HB3 ARG 135 OK 55 55 100 100 2.5-3.0 3.0=100 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 11 assignments used, quality = 0.98: QB ALA 21 + HA THR 18 OK 84 100 100 84 1.9-2.6 10670/3.0=45...(5) HG2 LYS 19 + HA THR 18 OK 76 76 100 100 4.7-5.2 6151/3.6=76, ~10696=74...(17) HG2 LYS 24 + HA THR 25 OK 39 39 100 100 6.3-6.5 ~6233=86, ~6232=84...(20) QB ALA 12 - HA THR 18 far 5 96 5 - 7.0-17.2 QB ALA 21 - HA THR 25 far 4 77 5 - 5.0-11.1 HG2 LYS 19 - HA SER 74 far 2 44 5 - 6.7-33.1 HG2 LYS 24 - HA THR 18 far 0 60 0 - 7.5-12.7 QB ALA 21 - HA SER 74 far 0 68 0 - 7.9-24.5 QB ALA 12 - HA SER 74 far 0 61 0 - 8.1-27.1 HG2 LYS 19 - HA THR 25 far 0 51 0 - 8.7-15.3 QB ALA 46 - HA SER 74 far 0 65 0 - 10.0-10.3 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 9 assignments used, quality = 1.00: HB2 LYS 26 + HB THR 25 OK 92 92 100 100 5.0-7.2 4.0/6247=98, ~11150=79...(21) HB2 LYS 24 + HB THR 25 OK 90 90 100 100 4.0-5.4 ~10697=98, 4.7/583=97...(9) HB2 LYS 19 + HB THR 18 OK 75 75 100 100 4.9-6.1 3.9/6146=97...(16) HB2 LYS 31 - HB THR 25 far 9 89 10 - 7.3-16.3 HB2 LYS 19 - HB THR 25 far 4 89 5 - 5.8-18.3 HB2 ARG 23 - HB THR 25 far 0 99 0 - 8.4-10.3 HG3 ARG 90 - HB THR 18 far 0 63 0 - 8.8-36.5 HB2 ARG 23 - HB THR 18 far 0 87 0 - 9.1-12.1 HB2 LYS 24 - HB THR 18 far 0 77 0 - 9.2-16.4 Violated in 0 structures by 0.00 A. Peak 11966 from aliabs.peaks (0.93, 4.28, 52.57 ppm; 6.80 A): 7 out of 22 assignments used, quality = 1.00: QG2 VAL 112 + HA ALA 109 OK 90 90 100 100 2.6-3.4 11496/2.1=100...(13) QG2 VAL 112 + HA ALA 110 OK 90 91 100 99 4.4-5.5 11478/3.0=88...(8) QG2 VAL 112 + HA ALA 108 OK 88 94 100 94 6.3-7.2 10118/3.6=93, 11478/3530=3 QG2 VAL 63 + HA ALA 108 OK 66 82 95 84 5.8-7.5 11484/3.0=83 QG1 VAL 20 + HA ALA 21 OK 43 43 100 100 3.4-5.4 ~6176=88, ~6177=88...(13) QD1 LEU 119 + HA ALA 109 OK 35 81 85 51 6.2-7.6 ~11541=25, 11540/2.1=18...(4) QG1 VAL 20 + HA ALA 16 OK 26 89 75 38 2.3-8.0 10680/4.9=22, 10680/4.9=18 QG1 VAL 20 - HA ALA 15 poor 16 79 20 - 4.9-10.3 QG1 VAL 105 - HA ALA 108 poor 11 54 20 - 6.6-8.4 QG1 VAL 20 - HA ALA 12 far 4 79 5 - 5.7-19.1 QG2 VAL 63 - HA ALA 110 lone 1 79 40 3 6.6-8.5 QD1 LEU 62 - HA ALA 110 far 0 83 0 - 7.5-9.4 QG1 VAL 105 - HA ALA 15 far 0 54 0 - 7.6-36.3 QG2 VAL 63 - HA ALA 109 far 0 78 0 - 7.9-9.2 QD1 LEU 119 - HA ALA 110 far 0 82 0 - 8.0-9.2 QG1 VAL 57 - HA ALA 110 far 0 76 0 - 8.1-9.8 QD1 LEU 119 - HA ALA 108 far 0 85 0 - 8.2-9.5 QG1 VAL 105 - HA ALA 12 far 0 54 0 - 8.4-32.2 QD1 LEU 62 - HA ALA 109 far 0 83 0 - 8.6-9.5 QD1 LEU 62 - HA ALA 108 far 0 87 0 - 8.9-10.3 QG2 ILE 37 - HA ALA 15 far 0 90 0 - 9.3-32.2 QG1 VAL 105 - HA ALA 16 far 0 63 0 - 9.7-37.9 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 4 assignments used, quality = 1.00: QB ALA 21 + HA LEU 22 OK 100 100 100 100 3.7-4.3 6186/2.9=100...(11) HG2 LYS 24 + HA LEU 22 OK 58 71 100 82 2.7-6.3 1309/2.9=29...(12) QB ALA 29 - HA LEU 22 far 3 65 5 - 6.9-18.1 HG2 LYS 19 - HA LEU 22 far 0 85 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 11968 from aliabs.peaks (2.79, 4.36, 64.64 ppm; 3.55 A increased from 3.34 A): 2 out of 6 assignments used, quality = 0.89: HB3 ASN 120 + HA PRO 117 OK 86 89 100 97 3.2-3.5 11625=83, 3.8/11562=36...(8) HB2 TYR 76 + HA CYS 73 OK 21 30 95 75 2.2-4.3 3.8/11789=30...(12) HB2 ASN 120 - HA PRO 117 far 0 86 0 - 4.8-5.1 HB2 ASN 121 - HA PRO 117 far 0 92 0 - 5.1-7.5 HB3 ASP 71 - HA CYS 73 far 0 44 0 - 7.4-8.1 HB3 ASN 85 - HA CYS 73 far 0 27 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Average quality of peak assignments : 0.947 Average number of used assignments : 2.010 Average rank of reference assignment: 1.071 Peaks with increased upper limit : 1496 Peaks with decreased upper limit : 0 Protons used in less than 30% of expected peaks: Peak observation distance: 6.16 A Atom Residue Shift Peaks Used Expect H HIS 5 8.529 24 2 12 Peaks: selected : 13995 in nnoeabs.peaks : 2363 in cnoeabs.peaks : 6029 in aliabs.peaks : 5603 assigned : 13617 unassigned : 378 without assignment possibility : 75 with violation below 0.5 A : 38 with violation between 0.5 and 3.0 A : 197 with violation above 3.0 A : 68 in nnoeabs.peaks : 42 in cnoeabs.peaks : 131 in aliabs.peaks : 205 with diagonal assignment : 1579 Cross peaks: with off-diagonal assignment : 12038 with unique assignment : 6766 with short-range assignment |i-j|<=1: 8657 with medium-range assignment 1<|i-j|<5 : 1986 with long-range assignment |i-j|>=5: 1395 Comparison with reference assignment: Cross peaks with reference assignment : 8311 with identical reference assignment : 4391 with compatible reference assignment : 7985 with incompatible reference assignment : 61 with additional reference assignment : 6 with additional assignment : 3992